Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:
Magnetic atoms:
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.67400 | 0.00000 | 0.25000 | mx,2mx,mz | 0.60000 | 1.20000 | 3.80000 |
2 | 0.00000 | 0.67400 | 0.25000 | -2mx,-mx,mz | -1.20000 | -0.60000 | 3.80000 |
3 | 0.32600 | 0.32600 | 0.25000 | mx,-mx,mz | 0.60000 | -0.60000 | 3.80000 |
4 | 0.32600 | 0.00000 | 0.75000 | mx,2mx,mz | 0.60000 | 1.20000 | 3.80000 |
5 | 0.00000 | 0.32600 | 0.75000 | -2mx,-mx,mz | -1.20000 | -0.60000 | 3.80000 |
6 | 0.67400 | 0.67400 | 0.75000 | mx,-mx,mz | 0.60000 | -0.60000 | 3.80000 |
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7 | 0.00733 | 0.66667 | 0.91667 | mx,2mx,mz | 0.60000 | 1.20000 | 3.80000 |
8 | 0.33333 | 0.34067 | 0.91667 | -2mx,-mx,mz | -1.20000 | -0.60000 | 3.80000 |
9 | 0.65933 | 0.99267 | 0.91667 | mx,-mx,mz | 0.60000 | -0.60000 | 3.80000 |
10 | 0.65933 | 0.66667 | 0.41667 | mx,2mx,mz | 0.60000 | 1.20000 | 3.80000 |
11 | 0.33333 | 0.99267 | 0.41667 | -2mx,-mx,mz | -1.20000 | -0.60000 | 3.80000 |
12 | 0.00733 | 0.34067 | 0.41667 | mx,-mx,mz | 0.60000 | -0.60000 | 3.80000 |
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13 | 0.34067 | 0.33333 | 0.58333 | mx,2mx,mz | 0.60000 | 1.20000 | 3.80000 |
14 | 0.66667 | 0.00733 | 0.58333 | -2mx,-mx,mz | -1.20000 | -0.60000 | 3.80000 |
15 | 0.99267 | 0.65933 | 0.58333 | mx,-mx,mz | 0.60000 | -0.60000 | 3.80000 |
16 | 0.99267 | 0.33333 | 0.08333 | mx,2mx,mz | 0.60000 | 1.20000 | 3.80000 |
17 | 0.66667 | 0.65933 | 0.08333 | -2mx,-mx,mz | -1.20000 | -0.60000 | 3.80000 |
18 | 0.34067 | 0.00733 | 0.08333 | mx,-mx,mz | 0.60000 | -0.60000 | 3.80000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
2 | 0.00000 | 0.00000 | 0.50000 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
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3 | 0.33333 | 0.66667 | 0.66667 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
4 | 0.33333 | 0.66667 | 0.16667 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
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5 | 0.66667 | 0.33333 | 0.33333 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
6 | 0.66667 | 0.33333 | 0.83333 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.83605 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
2 | 0.00000 | 0.00000 | 0.16395 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
3 | 0.00000 | 0.00000 | 0.66395 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
4 | 0.00000 | 0.00000 | 0.33605 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
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5 | 0.33333 | 0.66667 | 0.50272 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
6 | 0.33333 | 0.66667 | 0.83062 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
7 | 0.33333 | 0.66667 | 0.33062 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
8 | 0.33333 | 0.66667 | 0.00272 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
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9 | 0.66667 | 0.33333 | 0.16938 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
10 | 0.66667 | 0.33333 | 0.49728 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
11 | 0.66667 | 0.33333 | 0.99728 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
12 | 0.66667 | 0.33333 | 0.66938 | 0,0,mz | 0.00000 | 0.00000 | -4.10000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.48904 | 0.07524 | 0.10929 |
2 | 0.92476 | 0.41380 | 0.10929 |
3 | 0.58620 | 0.51096 | 0.10929 |
4 | 0.51096 | 0.92476 | 0.89071 |
5 | 0.07524 | 0.58620 | 0.89071 |
6 | 0.41380 | 0.48904 | 0.89071 |
7 | 0.41380 | 0.92476 | 0.39071 |
8 | 0.07524 | 0.48904 | 0.39071 |
9 | 0.51096 | 0.58620 | 0.39071 |
10 | 0.58620 | 0.07524 | 0.60929 |
11 | 0.92476 | 0.51096 | 0.60929 |
12 | 0.48904 | 0.41380 | 0.60929 |
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13 | 0.82237 | 0.74191 | 0.77596 |
14 | 0.25809 | 0.08047 | 0.77596 |
15 | 0.91953 | 0.17763 | 0.77596 |
16 | 0.84429 | 0.59143 | 0.55738 |
17 | 0.40857 | 0.25287 | 0.55738 |
18 | 0.74713 | 0.15571 | 0.55738 |
19 | 0.74713 | 0.59143 | 0.05738 |
20 | 0.40857 | 0.15571 | 0.05738 |
21 | 0.84429 | 0.25287 | 0.05738 |
22 | 0.91953 | 0.74191 | 0.27596 |
23 | 0.25809 | 0.17763 | 0.27596 |
24 | 0.82237 | 0.08047 | 0.27596 |
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25 | 0.15571 | 0.40857 | 0.44262 |
26 | 0.59143 | 0.74713 | 0.44262 |
27 | 0.25287 | 0.84429 | 0.44262 |
28 | 0.17763 | 0.25809 | 0.22404 |
29 | 0.74191 | 0.91953 | 0.22404 |
30 | 0.08047 | 0.82237 | 0.22404 |
31 | 0.08047 | 0.25809 | 0.72404 |
32 | 0.74191 | 0.82237 | 0.72404 |
33 | 0.17763 | 0.91953 | 0.72404 |
34 | 0.25287 | 0.40857 | 0.94262 |
35 | 0.59143 | 0.84429 | 0.94262 |
36 | 0.15571 | 0.74713 | 0.94262 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.20262 | 0.93670 | 0.05423 |
2 | 0.06330 | 0.26592 | 0.05423 |
3 | 0.73408 | 0.79738 | 0.05423 |
4 | 0.79738 | 0.06330 | 0.94577 |
5 | 0.93670 | 0.73408 | 0.94577 |
6 | 0.26592 | 0.20262 | 0.94577 |
7 | 0.26592 | 0.06330 | 0.44577 |
8 | 0.93670 | 0.20262 | 0.44577 |
9 | 0.79738 | 0.73408 | 0.44577 |
10 | 0.73408 | 0.93670 | 0.55423 |
11 | 0.06330 | 0.79738 | 0.55423 |
12 | 0.20262 | 0.26592 | 0.55423 |
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13 | 0.53595 | 0.60337 | 0.72090 |
14 | 0.39663 | 0.93259 | 0.72090 |
15 | 0.06741 | 0.46405 | 0.72090 |
16 | 0.13071 | 0.72997 | 0.61244 |
17 | 0.27003 | 0.40075 | 0.61244 |
18 | 0.59925 | 0.86929 | 0.61244 |
19 | 0.59925 | 0.72997 | 0.11244 |
20 | 0.27003 | 0.86929 | 0.11244 |
21 | 0.13071 | 0.40075 | 0.11244 |
22 | 0.06741 | 0.60337 | 0.22090 |
23 | 0.39663 | 0.46405 | 0.22090 |
24 | 0.53595 | 0.93259 | 0.22090 |
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25 | 0.86929 | 0.27003 | 0.38756 |
26 | 0.72997 | 0.59925 | 0.38756 |
27 | 0.40075 | 0.13071 | 0.38756 |
28 | 0.46405 | 0.39663 | 0.27910 |
29 | 0.60337 | 0.06741 | 0.27910 |
30 | 0.93259 | 0.53595 | 0.27910 |
31 | 0.93259 | 0.39663 | 0.77910 |
32 | 0.60337 | 0.53595 | 0.77910 |
33 | 0.46405 | 0.06741 | 0.77910 |
34 | 0.40075 | 0.27003 | 0.88756 |
35 | 0.72997 | 0.13071 | 0.88756 |
36 | 0.86929 | 0.59925 | 0.88756 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.41922 | 0.94148 | 0.05488 |
2 | 0.05852 | 0.47774 | 0.05488 |
3 | 0.52226 | 0.58078 | 0.05488 |
4 | 0.58078 | 0.05852 | 0.94512 |
5 | 0.94148 | 0.52226 | 0.94512 |
6 | 0.47774 | 0.41922 | 0.94512 |
7 | 0.47774 | 0.05852 | 0.44512 |
8 | 0.94148 | 0.41922 | 0.44512 |
9 | 0.58078 | 0.52226 | 0.44512 |
10 | 0.52226 | 0.94148 | 0.55488 |
11 | 0.05852 | 0.58078 | 0.55488 |
12 | 0.41922 | 0.47774 | 0.55488 |
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13 | 0.75255 | 0.60815 | 0.72155 |
14 | 0.39185 | 0.14441 | 0.72155 |
15 | 0.85559 | 0.24745 | 0.72155 |
16 | 0.91411 | 0.72519 | 0.61179 |
17 | 0.27481 | 0.18893 | 0.61179 |
18 | 0.81107 | 0.08589 | 0.61179 |
19 | 0.81107 | 0.72519 | 0.11179 |
20 | 0.27481 | 0.08589 | 0.11179 |
21 | 0.91411 | 0.18893 | 0.11179 |
22 | 0.85559 | 0.60815 | 0.22155 |
23 | 0.39185 | 0.24745 | 0.22155 |
24 | 0.75255 | 0.14441 | 0.22155 |
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25 | 0.08589 | 0.27481 | 0.38821 |
26 | 0.72519 | 0.81107 | 0.38821 |
27 | 0.18893 | 0.91411 | 0.38821 |
28 | 0.24745 | 0.39185 | 0.27845 |
29 | 0.60815 | 0.85559 | 0.27845 |
30 | 0.14441 | 0.75255 | 0.27845 |
31 | 0.14441 | 0.39185 | 0.77845 |
32 | 0.60815 | 0.75255 | 0.77845 |
33 | 0.24745 | 0.85559 | 0.77845 |
34 | 0.18893 | 0.27481 | 0.88821 |
35 | 0.72519 | 0.91411 | 0.88821 |
36 | 0.08589 | 0.81107 | 0.88821 |
Set of atoms in the unit cell related by symmetry with the atom O6:
Atom | x | y | z |
1 | 0.06701 | 0.93261 | 0.02712 |
2 | 0.06739 | 0.13440 | 0.02712 |
3 | 0.86560 | 0.93299 | 0.02712 |
4 | 0.93299 | 0.06739 | 0.97288 |
5 | 0.93261 | 0.86560 | 0.97288 |
6 | 0.13440 | 0.06701 | 0.97288 |
7 | 0.13440 | 0.06739 | 0.47288 |
8 | 0.93261 | 0.06701 | 0.47288 |
9 | 0.93299 | 0.86560 | 0.47288 |
10 | 0.86560 | 0.93261 | 0.52712 |
11 | 0.06739 | 0.93299 | 0.52712 |
12 | 0.06701 | 0.13440 | 0.52712 |
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13 | 0.40034 | 0.59928 | 0.69379 |
14 | 0.40072 | 0.80107 | 0.69379 |
15 | 0.19893 | 0.59966 | 0.69379 |
16 | 0.26632 | 0.73406 | 0.63955 |
17 | 0.26594 | 0.53227 | 0.63955 |
18 | 0.46773 | 0.73368 | 0.63955 |
19 | 0.46773 | 0.73406 | 0.13955 |
20 | 0.26594 | 0.73368 | 0.13955 |
21 | 0.26632 | 0.53227 | 0.13955 |
22 | 0.19893 | 0.59928 | 0.19379 |
23 | 0.40072 | 0.59966 | 0.19379 |
24 | 0.40034 | 0.80107 | 0.19379 |
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25 | 0.73368 | 0.26594 | 0.36045 |
26 | 0.73406 | 0.46773 | 0.36045 |
27 | 0.53227 | 0.26632 | 0.36045 |
28 | 0.59966 | 0.40072 | 0.30621 |
29 | 0.59928 | 0.19893 | 0.30621 |
30 | 0.80107 | 0.40034 | 0.30621 |
31 | 0.80107 | 0.40072 | 0.80621 |
32 | 0.59928 | 0.40034 | 0.80621 |
33 | 0.59966 | 0.19893 | 0.80621 |
34 | 0.53227 | 0.26594 | 0.86045 |
35 | 0.73406 | 0.26632 | 0.86045 |
36 | 0.73368 | 0.46773 | 0.86045 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.41034 | 0.80124 | 0.02900 |
2 | 0.19876 | 0.60910 | 0.02900 |
3 | 0.39090 | 0.58966 | 0.02900 |
4 | 0.58966 | 0.19876 | 0.97100 |
5 | 0.80124 | 0.39090 | 0.97100 |
6 | 0.60910 | 0.41034 | 0.97100 |
7 | 0.60910 | 0.19876 | 0.47100 |
8 | 0.80124 | 0.41034 | 0.47100 |
9 | 0.58966 | 0.39090 | 0.47100 |
10 | 0.39090 | 0.80124 | 0.52900 |
11 | 0.19876 | 0.58966 | 0.52900 |
12 | 0.41034 | 0.60910 | 0.52900 |
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13 | 0.74367 | 0.46791 | 0.69567 |
14 | 0.53209 | 0.27577 | 0.69567 |
15 | 0.72423 | 0.25633 | 0.69567 |
16 | 0.92299 | 0.86543 | 0.63767 |
17 | 0.13457 | 0.05757 | 0.63767 |
18 | 0.94243 | 0.07701 | 0.63767 |
19 | 0.94243 | 0.86543 | 0.13767 |
20 | 0.13457 | 0.07701 | 0.13767 |
21 | 0.92299 | 0.05757 | 0.13767 |
22 | 0.72423 | 0.46791 | 0.19567 |
23 | 0.53209 | 0.25633 | 0.19567 |
24 | 0.74367 | 0.27577 | 0.19567 |
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25 | 0.07701 | 0.13457 | 0.36233 |
26 | 0.86543 | 0.94243 | 0.36233 |
27 | 0.05757 | 0.92299 | 0.36233 |
28 | 0.25633 | 0.53209 | 0.30433 |
29 | 0.46791 | 0.72423 | 0.30433 |
30 | 0.27577 | 0.74367 | 0.30433 |
31 | 0.27577 | 0.53209 | 0.80433 |
32 | 0.46791 | 0.74367 | 0.80433 |
33 | 0.25633 | 0.72423 | 0.80433 |
34 | 0.05757 | 0.13457 | 0.86233 |
35 | 0.86543 | 0.92299 | 0.86233 |
36 | 0.07701 | 0.94243 | 0.86233 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.61306 | 0.20170 | 0.14073 |
2 | 0.79830 | 0.41136 | 0.14073 |
3 | 0.58864 | 0.38694 | 0.14073 |
4 | 0.38694 | 0.79830 | 0.85927 |
5 | 0.20170 | 0.58864 | 0.85927 |
6 | 0.41136 | 0.61306 | 0.85927 |
7 | 0.41136 | 0.79830 | 0.35927 |
8 | 0.20170 | 0.61306 | 0.35927 |
9 | 0.38694 | 0.58864 | 0.35927 |
10 | 0.58864 | 0.20170 | 0.64073 |
11 | 0.79830 | 0.38694 | 0.64073 |
12 | 0.61306 | 0.41136 | 0.64073 |
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13 | 0.94639 | 0.86837 | 0.80740 |
14 | 0.13163 | 0.07803 | 0.80740 |
15 | 0.92197 | 0.05361 | 0.80740 |
16 | 0.72027 | 0.46497 | 0.52594 |
17 | 0.53503 | 0.25531 | 0.52594 |
18 | 0.74469 | 0.27973 | 0.52594 |
19 | 0.74469 | 0.46497 | 0.02594 |
20 | 0.53503 | 0.27973 | 0.02594 |
21 | 0.72027 | 0.25531 | 0.02594 |
22 | 0.92197 | 0.86837 | 0.30740 |
23 | 0.13163 | 0.05361 | 0.30740 |
24 | 0.94639 | 0.07803 | 0.30740 |
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25 | 0.27973 | 0.53503 | 0.47406 |
26 | 0.46497 | 0.74469 | 0.47406 |
27 | 0.25531 | 0.72027 | 0.47406 |
28 | 0.05361 | 0.13163 | 0.19260 |
29 | 0.86837 | 0.92197 | 0.19260 |
30 | 0.07803 | 0.94639 | 0.19260 |
31 | 0.07803 | 0.13163 | 0.69260 |
32 | 0.86837 | 0.94639 | 0.69260 |
33 | 0.05361 | 0.92197 | 0.69260 |
34 | 0.25531 | 0.53503 | 0.97406 |
35 | 0.46497 | 0.72027 | 0.97406 |
36 | 0.27973 | 0.74469 | 0.97406 |
Set of atoms in the unit cell related by symmetry with the atom C1:
Atom | x | y | z |
1 | 0.51809 | 0.14947 | 0.12949 |
2 | 0.85053 | 0.36862 | 0.12949 |
3 | 0.63138 | 0.48191 | 0.12949 |
4 | 0.48191 | 0.85053 | 0.87051 |
5 | 0.14947 | 0.63138 | 0.87051 |
6 | 0.36862 | 0.51809 | 0.87051 |
7 | 0.36862 | 0.85053 | 0.37051 |
8 | 0.14947 | 0.51809 | 0.37051 |
9 | 0.48191 | 0.63138 | 0.37051 |
10 | 0.63138 | 0.14947 | 0.62949 |
11 | 0.85053 | 0.48191 | 0.62949 |
12 | 0.51809 | 0.36862 | 0.62949 |
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13 | 0.85142 | 0.81614 | 0.79616 |
14 | 0.18386 | 0.03529 | 0.79616 |
15 | 0.96471 | 0.14858 | 0.79616 |
16 | 0.81524 | 0.51720 | 0.53718 |
17 | 0.48280 | 0.29805 | 0.53718 |
18 | 0.70195 | 0.18476 | 0.53718 |
19 | 0.70195 | 0.51720 | 0.03718 |
20 | 0.48280 | 0.18476 | 0.03718 |
21 | 0.81524 | 0.29805 | 0.03718 |
22 | 0.96471 | 0.81614 | 0.29616 |
23 | 0.18386 | 0.14858 | 0.29616 |
24 | 0.85142 | 0.03529 | 0.29616 |
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25 | 0.18476 | 0.48280 | 0.46282 |
26 | 0.51720 | 0.70195 | 0.46282 |
27 | 0.29805 | 0.81524 | 0.46282 |
28 | 0.14858 | 0.18386 | 0.20384 |
29 | 0.81614 | 0.96471 | 0.20384 |
30 | 0.03529 | 0.85142 | 0.20384 |
31 | 0.03529 | 0.18386 | 0.70384 |
32 | 0.81614 | 0.85142 | 0.70384 |
33 | 0.14858 | 0.96471 | 0.70384 |
34 | 0.29805 | 0.48280 | 0.96282 |
35 | 0.51720 | 0.81524 | 0.96282 |
36 | 0.18476 | 0.70195 | 0.96282 |
Set of atoms in the unit cell related by symmetry with the atom C2:
Atom | x | y | z |
1 | 0.36734 | 0.85236 | 0.04122 |
2 | 0.14764 | 0.51498 | 0.04122 |
3 | 0.48502 | 0.63266 | 0.04122 |
4 | 0.63266 | 0.14764 | 0.95878 |
5 | 0.85236 | 0.48502 | 0.95878 |
6 | 0.51498 | 0.36734 | 0.95878 |
7 | 0.51498 | 0.14764 | 0.45878 |
8 | 0.85236 | 0.36734 | 0.45878 |
9 | 0.63266 | 0.48502 | 0.45878 |
10 | 0.48502 | 0.85236 | 0.54122 |
11 | 0.14764 | 0.63266 | 0.54122 |
12 | 0.36734 | 0.51498 | 0.54122 |
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13 | 0.70067 | 0.51903 | 0.70789 |
14 | 0.48097 | 0.18165 | 0.70789 |
15 | 0.81835 | 0.29933 | 0.70789 |
16 | 0.96599 | 0.81431 | 0.62545 |
17 | 0.18569 | 0.15169 | 0.62545 |
18 | 0.84831 | 0.03401 | 0.62545 |
19 | 0.84831 | 0.81431 | 0.12545 |
20 | 0.18569 | 0.03401 | 0.12545 |
21 | 0.96599 | 0.15169 | 0.12545 |
22 | 0.81835 | 0.51903 | 0.20789 |
23 | 0.48097 | 0.29933 | 0.20789 |
24 | 0.70067 | 0.18165 | 0.20789 |
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25 | 0.03401 | 0.18569 | 0.37455 |
26 | 0.81431 | 0.84831 | 0.37455 |
27 | 0.15169 | 0.96599 | 0.37455 |
28 | 0.29933 | 0.48097 | 0.29211 |
29 | 0.51903 | 0.81835 | 0.29211 |
30 | 0.18165 | 0.70067 | 0.29211 |
31 | 0.18165 | 0.48097 | 0.79211 |
32 | 0.51903 | 0.70067 | 0.79211 |
33 | 0.29933 | 0.81835 | 0.79211 |
34 | 0.15169 | 0.18569 | 0.87455 |
35 | 0.81431 | 0.96599 | 0.87455 |
36 | 0.03401 | 0.84831 | 0.87455 |
Set of atoms in the unit cell related by symmetry with the atom C3:
Atom | x | y | z |
1 | 0.16058 | 0.98223 | 0.03957 |
2 | 0.01777 | 0.17835 | 0.03957 |
3 | 0.82165 | 0.83942 | 0.03957 |
4 | 0.83942 | 0.01777 | 0.96043 |
5 | 0.98223 | 0.82165 | 0.96043 |
6 | 0.17835 | 0.16058 | 0.96043 |
7 | 0.17835 | 0.01777 | 0.46043 |
8 | 0.98223 | 0.16058 | 0.46043 |
9 | 0.83942 | 0.82165 | 0.46043 |
10 | 0.82165 | 0.98223 | 0.53957 |
11 | 0.01777 | 0.83942 | 0.53957 |
12 | 0.16058 | 0.17835 | 0.53957 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.49391 | 0.64890 | 0.70624 |
14 | 0.35110 | 0.84502 | 0.70624 |
15 | 0.15498 | 0.50609 | 0.70624 |
16 | 0.17275 | 0.68444 | 0.62710 |
17 | 0.31556 | 0.48832 | 0.62710 |
18 | 0.51168 | 0.82725 | 0.62710 |
19 | 0.51168 | 0.68444 | 0.12710 |
20 | 0.31556 | 0.82725 | 0.12710 |
21 | 0.17275 | 0.48832 | 0.12710 |
22 | 0.15498 | 0.64890 | 0.20624 |
23 | 0.35110 | 0.50609 | 0.20624 |
24 | 0.49391 | 0.84502 | 0.20624 |
(2/3,1/3,1/3) + set click here to show and hide |
25 | 0.82725 | 0.31556 | 0.37290 |
26 | 0.68444 | 0.51168 | 0.37290 |
27 | 0.48832 | 0.17275 | 0.37290 |
28 | 0.50609 | 0.35110 | 0.29376 |
29 | 0.64890 | 0.15498 | 0.29376 |
30 | 0.84502 | 0.49391 | 0.29376 |
31 | 0.84502 | 0.35110 | 0.79376 |
32 | 0.64890 | 0.49391 | 0.79376 |
33 | 0.50609 | 0.15498 | 0.79376 |
34 | 0.48832 | 0.31556 | 0.87290 |
35 | 0.68444 | 0.17275 | 0.87290 |
36 | 0.82725 | 0.51168 | 0.87290 |
Set of atoms in the unit cell related by symmetry with the atom N1:
Atom | x | y | z |
1 | 0.28153 | 0.00000 | 0.25003 |
2 | 0.00000 | 0.28153 | 0.25003 |
3 | 0.71847 | 0.71847 | 0.25003 |
4 | 0.71847 | 0.00000 | 0.74997 |
5 | 0.00000 | 0.71847 | 0.74997 |
6 | 0.28153 | 0.28153 | 0.74997 |
(1/3,2/3,2/3) + set click here to show and hide |
7 | 0.61486 | 0.66667 | 0.91670 |
8 | 0.33333 | 0.94820 | 0.91670 |
9 | 0.05180 | 0.38514 | 0.91670 |
10 | 0.05180 | 0.66667 | 0.41664 |
11 | 0.33333 | 0.38514 | 0.41664 |
12 | 0.61486 | 0.94820 | 0.41664 |
(2/3,1/3,1/3) + set click here to show and hide |
13 | 0.94820 | 0.33333 | 0.58336 |
14 | 0.66667 | 0.61486 | 0.58336 |
15 | 0.38514 | 0.05180 | 0.58336 |
16 | 0.38514 | 0.33333 | 0.08330 |
17 | 0.66667 | 0.05180 | 0.08330 |
18 | 0.94820 | 0.61486 | 0.08330 |
Set of atoms in the unit cell related by symmetry with the atom C11:
Atom | x | y | z |
1 | 0.32780 | 0.33255 | 0.05313 |
2 | 0.66745 | 0.99525 | 0.05313 |
3 | 0.00475 | 0.67220 | 0.05313 |
4 | 0.67220 | 0.66745 | 0.94687 |
5 | 0.33255 | 0.00475 | 0.94687 |
6 | 0.99525 | 0.32780 | 0.94687 |
7 | 0.99525 | 0.66745 | 0.44687 |
8 | 0.33255 | 0.32780 | 0.44687 |
9 | 0.67220 | 0.00475 | 0.44687 |
10 | 0.00475 | 0.33255 | 0.55313 |
11 | 0.66745 | 0.67220 | 0.55313 |
12 | 0.32780 | 0.99525 | 0.55313 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.66113 | 0.99922 | 0.71980 |
14 | 0.00078 | 0.66192 | 0.71980 |
15 | 0.33808 | 0.33887 | 0.71980 |
16 | 0.00553 | 0.33412 | 0.61354 |
17 | 0.66588 | 0.67142 | 0.61354 |
18 | 0.32858 | 0.99447 | 0.61354 |
19 | 0.32858 | 0.33412 | 0.11354 |
20 | 0.66588 | 0.99447 | 0.11354 |
21 | 0.00553 | 0.67142 | 0.11354 |
22 | 0.33808 | 0.99922 | 0.21980 |
23 | 0.00078 | 0.33887 | 0.21980 |
24 | 0.66113 | 0.66192 | 0.21980 |
(2/3,1/3,1/3) + set click here to show and hide |
25 | 0.99447 | 0.66588 | 0.38646 |
26 | 0.33412 | 0.32858 | 0.38646 |
27 | 0.67142 | 0.00553 | 0.38646 |
28 | 0.33887 | 0.00078 | 0.28020 |
29 | 0.99922 | 0.33808 | 0.28020 |
30 | 0.66192 | 0.66113 | 0.28020 |
31 | 0.66192 | 0.00078 | 0.78020 |
32 | 0.99922 | 0.66113 | 0.78020 |
33 | 0.33887 | 0.33808 | 0.78020 |
34 | 0.67142 | 0.66588 | 0.88646 |
35 | 0.33412 | 0.00553 | 0.88646 |
36 | 0.99447 | 0.32858 | 0.88646 |
Set of atoms in the unit cell related by symmetry with the atom H1:
Atom | x | y | z |
1 | 0.45815 | 0.17033 | 0.13817 |
2 | 0.82967 | 0.28782 | 0.13817 |
3 | 0.71218 | 0.54185 | 0.13817 |
4 | 0.54185 | 0.82967 | 0.86183 |
5 | 0.17033 | 0.71218 | 0.86183 |
6 | 0.28782 | 0.45815 | 0.86183 |
7 | 0.28782 | 0.82967 | 0.36183 |
8 | 0.17033 | 0.45815 | 0.36183 |
9 | 0.54185 | 0.71218 | 0.36183 |
10 | 0.71218 | 0.17033 | 0.63817 |
11 | 0.82967 | 0.54185 | 0.63817 |
12 | 0.45815 | 0.28782 | 0.63817 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.79148 | 0.83700 | 0.80484 |
14 | 0.16300 | 0.95449 | 0.80484 |
15 | 0.04551 | 0.20852 | 0.80484 |
16 | 0.87518 | 0.49634 | 0.52850 |
17 | 0.50366 | 0.37885 | 0.52850 |
18 | 0.62115 | 0.12482 | 0.52850 |
19 | 0.62115 | 0.49634 | 0.02850 |
20 | 0.50366 | 0.12482 | 0.02850 |
21 | 0.87518 | 0.37885 | 0.02850 |
22 | 0.04551 | 0.83700 | 0.30484 |
23 | 0.16300 | 0.20852 | 0.30484 |
24 | 0.79148 | 0.95449 | 0.30484 |
(2/3,1/3,1/3) + set click here to show and hide |
25 | 0.12482 | 0.50366 | 0.47150 |
26 | 0.49634 | 0.62115 | 0.47150 |
27 | 0.37885 | 0.87518 | 0.47150 |
28 | 0.20852 | 0.16300 | 0.19516 |
29 | 0.83700 | 0.04551 | 0.19516 |
30 | 0.95449 | 0.79148 | 0.19516 |
31 | 0.95449 | 0.16300 | 0.69516 |
32 | 0.83700 | 0.79148 | 0.69516 |
33 | 0.20852 | 0.04551 | 0.69516 |
34 | 0.37885 | 0.50366 | 0.97150 |
35 | 0.49634 | 0.87518 | 0.97150 |
36 | 0.12482 | 0.62115 | 0.97150 |
Set of atoms in the unit cell related by symmetry with the atom H2:
Atom | x | y | z |
1 | 0.27887 | 0.81480 | 0.03954 |
2 | 0.18520 | 0.46407 | 0.03954 |
3 | 0.53593 | 0.72113 | 0.03954 |
4 | 0.72113 | 0.18520 | 0.96046 |
5 | 0.81480 | 0.53593 | 0.96046 |
6 | 0.46407 | 0.27887 | 0.96046 |
7 | 0.46407 | 0.18520 | 0.46046 |
8 | 0.81480 | 0.27887 | 0.46046 |
9 | 0.72113 | 0.53593 | 0.46046 |
10 | 0.53593 | 0.81480 | 0.53954 |
11 | 0.18520 | 0.72113 | 0.53954 |
12 | 0.27887 | 0.46407 | 0.53954 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.61220 | 0.48147 | 0.70621 |
14 | 0.51853 | 0.13074 | 0.70621 |
15 | 0.86926 | 0.38780 | 0.70621 |
16 | 0.05446 | 0.85187 | 0.62713 |
17 | 0.14813 | 0.20260 | 0.62713 |
18 | 0.79740 | 0.94554 | 0.62713 |
19 | 0.79740 | 0.85187 | 0.12713 |
20 | 0.14813 | 0.94554 | 0.12713 |
21 | 0.05446 | 0.20260 | 0.12713 |
22 | 0.86926 | 0.48147 | 0.20621 |
23 | 0.51853 | 0.38780 | 0.20621 |
24 | 0.61220 | 0.13074 | 0.20621 |
(2/3,1/3,1/3) + set click here to show and hide |
25 | 0.94554 | 0.14813 | 0.37287 |
26 | 0.85187 | 0.79740 | 0.37287 |
27 | 0.20260 | 0.05446 | 0.37287 |
28 | 0.38780 | 0.51853 | 0.29379 |
29 | 0.48147 | 0.86926 | 0.29379 |
30 | 0.13074 | 0.61220 | 0.29379 |
31 | 0.13074 | 0.51853 | 0.79379 |
32 | 0.48147 | 0.61220 | 0.79379 |
33 | 0.38780 | 0.86926 | 0.79379 |
34 | 0.20260 | 0.14813 | 0.87287 |
35 | 0.85187 | 0.05446 | 0.87287 |
36 | 0.94554 | 0.79740 | 0.87287 |
Set of atoms in the unit cell related by symmetry with the atom H3:
Atom | x | y | z |
1 | 0.20634 | 0.07060 | 0.03712 |
2 | 0.92940 | 0.13574 | 0.03712 |
3 | 0.86426 | 0.79366 | 0.03712 |
4 | 0.79366 | 0.92940 | 0.96288 |
5 | 0.07060 | 0.86426 | 0.96288 |
6 | 0.13574 | 0.20634 | 0.96288 |
7 | 0.13574 | 0.92940 | 0.46288 |
8 | 0.07060 | 0.20634 | 0.46288 |
9 | 0.79366 | 0.86426 | 0.46288 |
10 | 0.86426 | 0.07060 | 0.53712 |
11 | 0.92940 | 0.79366 | 0.53712 |
12 | 0.20634 | 0.13574 | 0.53712 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.53967 | 0.73727 | 0.70379 |
14 | 0.26273 | 0.80241 | 0.70379 |
15 | 0.19759 | 0.46033 | 0.70379 |
16 | 0.12699 | 0.59607 | 0.62955 |
17 | 0.40393 | 0.53093 | 0.62955 |
18 | 0.46907 | 0.87301 | 0.62955 |
19 | 0.46907 | 0.59607 | 0.12955 |
20 | 0.40393 | 0.87301 | 0.12955 |
21 | 0.12699 | 0.53093 | 0.12955 |
22 | 0.19759 | 0.73727 | 0.20379 |
23 | 0.26273 | 0.46033 | 0.20379 |
24 | 0.53967 | 0.80241 | 0.20379 |
(2/3,1/3,1/3) + set click here to show and hide |
25 | 0.87301 | 0.40393 | 0.37045 |
26 | 0.59607 | 0.46907 | 0.37045 |
27 | 0.53093 | 0.12699 | 0.37045 |
28 | 0.46033 | 0.26273 | 0.29621 |
29 | 0.73727 | 0.19759 | 0.29621 |
30 | 0.80241 | 0.53967 | 0.29621 |
31 | 0.80241 | 0.26273 | 0.79621 |
32 | 0.73727 | 0.53967 | 0.79621 |
33 | 0.46033 | 0.19759 | 0.79621 |
34 | 0.53093 | 0.40393 | 0.87045 |
35 | 0.59607 | 0.12699 | 0.87045 |
36 | 0.87301 | 0.46907 | 0.87045 |
Set of atoms in the unit cell related by symmetry with the atom H11:
Atom | x | y | z |
1 | 0.46124 | 0.40040 | 0.08423 |
2 | 0.59960 | 0.06084 | 0.08423 |
3 | 0.93916 | 0.53876 | 0.08423 |
4 | 0.53876 | 0.59960 | 0.91577 |
5 | 0.40040 | 0.93916 | 0.91577 |
6 | 0.06084 | 0.46124 | 0.91577 |
7 | 0.06084 | 0.59960 | 0.41577 |
8 | 0.40040 | 0.46124 | 0.41577 |
9 | 0.53876 | 0.93916 | 0.41577 |
10 | 0.93916 | 0.40040 | 0.58423 |
11 | 0.59960 | 0.53876 | 0.58423 |
12 | 0.46124 | 0.06084 | 0.58423 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.79457 | 0.06707 | 0.75090 |
14 | 0.93293 | 0.72751 | 0.75090 |
15 | 0.27249 | 0.20543 | 0.75090 |
16 | 0.87209 | 0.26627 | 0.58244 |
17 | 0.73373 | 0.60583 | 0.58244 |
18 | 0.39417 | 0.12791 | 0.58244 |
19 | 0.39417 | 0.26627 | 0.08244 |
20 | 0.73373 | 0.12791 | 0.08244 |
21 | 0.87209 | 0.60583 | 0.08244 |
22 | 0.27249 | 0.06707 | 0.25090 |
23 | 0.93293 | 0.20543 | 0.25090 |
24 | 0.79457 | 0.72751 | 0.25090 |
(2/3,1/3,1/3) + set click here to show and hide |
25 | 0.12791 | 0.73373 | 0.41756 |
26 | 0.26627 | 0.39417 | 0.41756 |
27 | 0.60583 | 0.87209 | 0.41756 |
28 | 0.20543 | 0.93293 | 0.24910 |
29 | 0.06707 | 0.27249 | 0.24910 |
30 | 0.72751 | 0.79457 | 0.24910 |
31 | 0.72751 | 0.93293 | 0.74910 |
32 | 0.06707 | 0.79457 | 0.74910 |
33 | 0.20543 | 0.27249 | 0.74910 |
34 | 0.60583 | 0.73373 | 0.91756 |
35 | 0.26627 | 0.87209 | 0.91756 |
36 | 0.12791 | 0.39417 | 0.91756 |
Set of atoms in the unit cell related by symmetry with the atom H31:
Atom | x | y | z |
1 | 0.24810 | 0.26160 | 0.05292 |
2 | 0.73840 | 0.98650 | 0.05292 |
3 | 0.01350 | 0.75190 | 0.05292 |
4 | 0.75190 | 0.73840 | 0.94708 |
5 | 0.26160 | 0.01350 | 0.94708 |
6 | 0.98650 | 0.24810 | 0.94708 |
7 | 0.98650 | 0.73840 | 0.44708 |
8 | 0.26160 | 0.24810 | 0.44708 |
9 | 0.75190 | 0.01350 | 0.44708 |
10 | 0.01350 | 0.26160 | 0.55292 |
11 | 0.73840 | 0.75190 | 0.55292 |
12 | 0.24810 | 0.98650 | 0.55292 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.58143 | 0.92827 | 0.71959 |
14 | 0.07173 | 0.65317 | 0.71959 |
15 | 0.34683 | 0.41857 | 0.71959 |
16 | 0.08523 | 0.40507 | 0.61375 |
17 | 0.59493 | 0.68017 | 0.61375 |
18 | 0.31983 | 0.91477 | 0.61375 |
19 | 0.31983 | 0.40507 | 0.11375 |
20 | 0.59493 | 0.91477 | 0.11375 |
21 | 0.08523 | 0.68017 | 0.11375 |
22 | 0.34683 | 0.92827 | 0.21959 |
23 | 0.07173 | 0.41857 | 0.21959 |
24 | 0.58143 | 0.65317 | 0.21959 |
(2/3,1/3,1/3) + set click here to show and hide |
25 | 0.91477 | 0.59493 | 0.38625 |
26 | 0.40507 | 0.31983 | 0.38625 |
27 | 0.68017 | 0.08523 | 0.38625 |
28 | 0.41857 | 0.07173 | 0.28041 |
29 | 0.92827 | 0.34683 | 0.28041 |
30 | 0.65317 | 0.58143 | 0.28041 |
31 | 0.65317 | 0.07173 | 0.78041 |
32 | 0.92827 | 0.58143 | 0.78041 |
33 | 0.41857 | 0.34683 | 0.78041 |
34 | 0.68017 | 0.59493 | 0.88625 |
35 | 0.40507 | 0.08523 | 0.88625 |
36 | 0.91477 | 0.31983 | 0.88625 |
Set of atoms in the unit cell related by symmetry with the atom H41:
Atom | x | y | z |
1 | 0.37310 | 0.33090 | 0.03243 |
2 | 0.66910 | 0.04220 | 0.03243 |
3 | 0.95780 | 0.62690 | 0.03243 |
4 | 0.62690 | 0.66910 | 0.96757 |
5 | 0.33090 | 0.95780 | 0.96757 |
6 | 0.04220 | 0.37310 | 0.96757 |
7 | 0.04220 | 0.66910 | 0.46757 |
8 | 0.33090 | 0.37310 | 0.46757 |
9 | 0.62690 | 0.95780 | 0.46757 |
10 | 0.95780 | 0.33090 | 0.53243 |
11 | 0.66910 | 0.62690 | 0.53243 |
12 | 0.37310 | 0.04220 | 0.53243 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.70643 | 0.99757 | 0.69910 |
14 | 0.00243 | 0.70887 | 0.69910 |
15 | 0.29113 | 0.29357 | 0.69910 |
16 | 0.96023 | 0.33577 | 0.63424 |
17 | 0.66423 | 0.62447 | 0.63424 |
18 | 0.37553 | 0.03977 | 0.63424 |
19 | 0.37553 | 0.33577 | 0.13424 |
20 | 0.66423 | 0.03977 | 0.13424 |
21 | 0.96023 | 0.62447 | 0.13424 |
22 | 0.29113 | 0.99757 | 0.19910 |
23 | 0.00243 | 0.29357 | 0.19910 |
24 | 0.70643 | 0.70887 | 0.19910 |
(2/3,1/3,1/3) + set click here to show and hide |
25 | 0.03977 | 0.66423 | 0.36576 |
26 | 0.33577 | 0.37553 | 0.36576 |
27 | 0.62447 | 0.96023 | 0.36576 |
28 | 0.29357 | 0.00243 | 0.30090 |
29 | 0.99757 | 0.29113 | 0.30090 |
30 | 0.70887 | 0.70643 | 0.30090 |
31 | 0.70887 | 0.00243 | 0.80090 |
32 | 0.99757 | 0.70643 | 0.80090 |
33 | 0.29357 | 0.29113 | 0.80090 |
34 | 0.62447 | 0.66423 | 0.86576 |
35 | 0.33577 | 0.96023 | 0.86576 |
36 | 0.03977 | 0.37553 | 0.86576 |
Set of atoms in the unit cell related by symmetry with the atom H51:
Atom | x | y | z |
1 | 0.32260 | 0.40570 | 0.05223 |
2 | 0.59430 | 0.91690 | 0.05223 |
3 | 0.08310 | 0.67740 | 0.05223 |
4 | 0.67740 | 0.59430 | 0.94777 |
5 | 0.40570 | 0.08310 | 0.94777 |
6 | 0.91690 | 0.32260 | 0.94777 |
7 | 0.91690 | 0.59430 | 0.44777 |
8 | 0.40570 | 0.32260 | 0.44777 |
9 | 0.67740 | 0.08310 | 0.44777 |
10 | 0.08310 | 0.40570 | 0.55223 |
11 | 0.59430 | 0.67740 | 0.55223 |
12 | 0.32260 | 0.91690 | 0.55223 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.65593 | 0.07237 | 0.71890 |
14 | 0.92763 | 0.58357 | 0.71890 |
15 | 0.41643 | 0.34407 | 0.71890 |
16 | 0.01073 | 0.26097 | 0.61444 |
17 | 0.73903 | 0.74977 | 0.61444 |
18 | 0.25023 | 0.98927 | 0.61444 |
19 | 0.25023 | 0.26097 | 0.11444 |
20 | 0.73903 | 0.98927 | 0.11444 |
21 | 0.01073 | 0.74977 | 0.11444 |
22 | 0.41643 | 0.07237 | 0.21890 |
23 | 0.92763 | 0.34407 | 0.21890 |
24 | 0.65593 | 0.58357 | 0.21890 |
(2/3,1/3,1/3) + set click here to show and hide |
25 | 0.98927 | 0.73903 | 0.38556 |
26 | 0.26097 | 0.25023 | 0.38556 |
27 | 0.74977 | 0.01073 | 0.38556 |
28 | 0.34407 | 0.92763 | 0.28110 |
29 | 0.07237 | 0.41643 | 0.28110 |
30 | 0.58357 | 0.65593 | 0.28110 |
31 | 0.58357 | 0.92763 | 0.78110 |
32 | 0.07237 | 0.65593 | 0.78110 |
33 | 0.34407 | 0.41643 | 0.78110 |
34 | 0.74977 | 0.73903 | 0.88556 |
35 | 0.26097 | 0.01073 | 0.88556 |
36 | 0.98927 | 0.25023 | 0.88556 |
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