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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.28313 | 0.04257 | 0.24911 | mx,my,mz | -1.23000 | -3.50000 | 0.05000 |
2 | 0.21687 | 0.95743 | 0.74911 | -mx,-my,mz | 1.23000 | 3.50000 | 0.05000 |
3 | 0.78313 | 0.45743 | 0.75089 | -mx,my,mz | 1.23000 | -3.50000 | 0.05000 |
4 | 0.71687 | 0.54257 | 0.25089 | mx,-my,mz | -1.23000 | 3.50000 | 0.05000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.71687 | 0.95743 | 0.75089 | mx,my,mz | 1.81000 | -3.20000 | 0.05000 |
2 | 0.78313 | 0.04257 | 0.25089 | -mx,-my,mz | -1.81000 | 3.20000 | 0.05000 |
3 | 0.21687 | 0.54257 | 0.24911 | -mx,my,mz | -1.81000 | -3.20000 | 0.05000 |
4 | 0.28313 | 0.45743 | 0.74911 | mx,-my,mz | 1.81000 | 3.20000 | 0.05000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cl4_1:
Atom | x | y | z |
1 | 0.20126 | 0.98871 | 0.37133 |
2 | 0.29874 | 0.01129 | 0.87133 |
3 | 0.70126 | 0.51129 | 0.62867 |
4 | 0.79874 | 0.48871 | 0.12867 |
Set of atoms in the unit cell related by symmetry with the atom Cl4_2:
Atom | x | y | z |
1 | 0.79874 | 0.01129 | 0.62867 |
2 | 0.70126 | 0.98871 | 0.12867 |
3 | 0.29874 | 0.48871 | 0.37133 |
4 | 0.20126 | 0.51129 | 0.87133 |
Set of atoms in the unit cell related by symmetry with the atom Cl2_1:
Atom | x | y | z |
1 | 0.44185 | 0.98530 | 0.25593 |
2 | 0.05815 | 0.01470 | 0.75593 |
3 | 0.94185 | 0.51470 | 0.74407 |
4 | 0.55815 | 0.48530 | 0.24407 |
Set of atoms in the unit cell related by symmetry with the atom Cl2_2:
Atom | x | y | z |
1 | 0.55815 | 0.01470 | 0.74407 |
2 | 0.94185 | 0.98530 | 0.24407 |
3 | 0.05815 | 0.48530 | 0.25593 |
4 | 0.44185 | 0.51470 | 0.75593 |
Set of atoms in the unit cell related by symmetry with the atom Cl1_1:
Atom | x | y | z |
1 | 0.21625 | 0.97854 | 0.12215 |
2 | 0.28375 | 0.02146 | 0.62215 |
3 | 0.71625 | 0.52146 | 0.87785 |
4 | 0.78375 | 0.47854 | 0.37785 |
Set of atoms in the unit cell related by symmetry with the atom Cl1_2:
Atom | x | y | z |
1 | 0.78375 | 0.02146 | 0.87785 |
2 | 0.71625 | 0.97854 | 0.37785 |
3 | 0.28375 | 0.47854 | 0.12215 |
4 | 0.21625 | 0.52146 | 0.62215 |
Set of atoms in the unit cell related by symmetry with the atom Cl3_1:
Atom | x | y | z |
1 | 0.27853 | 0.21746 | 0.24236 |
2 | 0.22147 | 0.78254 | 0.74236 |
3 | 0.77853 | 0.28254 | 0.75764 |
4 | 0.72147 | 0.71746 | 0.25764 |
Set of atoms in the unit cell related by symmetry with the atom Cl3_2:
Atom | x | y | z |
1 | 0.72147 | 0.78254 | 0.75764 |
2 | 0.77853 | 0.21746 | 0.25764 |
3 | 0.22147 | 0.71746 | 0.24236 |
4 | 0.27853 | 0.28254 | 0.74236 |
Set of atoms in the unit cell related by symmetry with the atom N1_1:
Atom | x | y | z |
1 | 0.09747 | 0.29606 | 0.08214 |
2 | 0.40253 | 0.70394 | 0.58214 |
3 | 0.59747 | 0.20394 | 0.91786 |
4 | 0.90253 | 0.79606 | 0.41786 |
Set of atoms in the unit cell related by symmetry with the atom N1_2:
Atom | x | y | z |
1 | 0.90253 | 0.70394 | 0.91786 |
2 | 0.59747 | 0.29606 | 0.41786 |
3 | 0.40253 | 0.79606 | 0.08214 |
4 | 0.09747 | 0.20394 | 0.58214 |
Set of atoms in the unit cell related by symmetry with the atom C7_1:
Atom | x | y | z |
1 | 0.98131 | 0.33580 | 0.95338 |
2 | 0.51869 | 0.66420 | 0.45338 |
3 | 0.48131 | 0.16420 | 0.04662 |
4 | 0.01869 | 0.83580 | 0.54662 |
Set of atoms in the unit cell related by symmetry with the atom C7_2:
Atom | x | y | z |
1 | 0.01869 | 0.66420 | 0.04662 |
2 | 0.48131 | 0.33580 | 0.54662 |
3 | 0.51869 | 0.83580 | 0.95338 |
4 | 0.98131 | 0.16420 | 0.45338 |
Set of atoms in the unit cell related by symmetry with the atom H71_1:
Atom | x | y | z |
1 | 0.90110 | 0.36310 | 0.95030 |
2 | 0.59890 | 0.63690 | 0.45030 |
3 | 0.40110 | 0.13690 | 0.04970 |
4 | 0.09890 | 0.86310 | 0.54970 |
Set of atoms in the unit cell related by symmetry with the atom H71_2:
Atom | x | y | z |
1 | 0.09890 | 0.63690 | 0.04970 |
2 | 0.40110 | 0.36310 | 0.54970 |
3 | 0.59890 | 0.86310 | 0.95030 |
4 | 0.90110 | 0.13690 | 0.45030 |
Set of atoms in the unit cell related by symmetry with the atom H72_1:
Atom | x | y | z |
1 | 0.01830 | 0.36440 | 0.89040 |
2 | 0.48170 | 0.63560 | 0.39040 |
3 | 0.51830 | 0.13560 | 0.10960 |
4 | 0.98170 | 0.86440 | 0.60960 |
Set of atoms in the unit cell related by symmetry with the atom H72_2:
Atom | x | y | z |
1 | 0.98170 | 0.63560 | 0.10960 |
2 | 0.51830 | 0.36440 | 0.60960 |
3 | 0.48170 | 0.86440 | 0.89040 |
4 | 0.01830 | 0.13560 | 0.39040 |
Set of atoms in the unit cell related by symmetry with the atom C3_1:
Atom | x | y | z |
1 | 0.09808 | 0.18040 | 0.94560 |
2 | 0.40192 | 0.81960 | 0.44560 |
3 | 0.59808 | 0.31960 | 0.05440 |
4 | 0.90192 | 0.68040 | 0.55440 |
Set of atoms in the unit cell related by symmetry with the atom C3_2:
Atom | x | y | z |
1 | 0.90192 | 0.81960 | 0.05440 |
2 | 0.59808 | 0.18040 | 0.55440 |
3 | 0.40192 | 0.68040 | 0.94560 |
4 | 0.09808 | 0.31960 | 0.44560 |
Set of atoms in the unit cell related by symmetry with the atom H31_1:
Atom | x | y | z |
1 | 0.12500 | 0.19240 | 0.87680 |
2 | 0.37500 | 0.80760 | 0.37680 |
3 | 0.62500 | 0.30760 | 0.12320 |
4 | 0.87500 | 0.69240 | 0.62320 |
Set of atoms in the unit cell related by symmetry with the atom H31_2:
Atom | x | y | z |
1 | 0.87500 | 0.80760 | 0.12320 |
2 | 0.62500 | 0.19240 | 0.62320 |
3 | 0.37500 | 0.69240 | 0.87680 |
4 | 0.12500 | 0.30760 | 0.37680 |
Set of atoms in the unit cell related by symmetry with the atom H32_1:
Atom | x | y | z |
1 | 0.10590 | 0.09540 | 0.96080 |
2 | 0.39410 | 0.90460 | 0.46080 |
3 | 0.60590 | 0.40460 | 0.03920 |
4 | 0.89410 | 0.59540 | 0.53920 |
Set of atoms in the unit cell related by symmetry with the atom H32_2:
Atom | x | y | z |
1 | 0.89410 | 0.90460 | 0.03920 |
2 | 0.60590 | 0.09540 | 0.53920 |
3 | 0.39410 | 0.59540 | 0.96080 |
4 | 0.10590 | 0.40460 | 0.46080 |
Set of atoms in the unit cell related by symmetry with the atom C2_1:
Atom | x | y | z |
1 | 0.16512 | 0.24460 | 0.01129 |
2 | 0.33488 | 0.75540 | 0.51129 |
3 | 0.66512 | 0.25540 | 0.98871 |
4 | 0.83488 | 0.74460 | 0.48871 |
Set of atoms in the unit cell related by symmetry with the atom C2_2:
Atom | x | y | z |
1 | 0.83488 | 0.75540 | 0.98871 |
2 | 0.66512 | 0.24460 | 0.48871 |
3 | 0.33488 | 0.74460 | 0.01129 |
4 | 0.16512 | 0.25540 | 0.51129 |
Set of atoms in the unit cell related by symmetry with the atom H21_1:
Atom | x | y | z |
1 | 0.21980 | 0.19510 | 0.04810 |
2 | 0.28020 | 0.80490 | 0.54810 |
3 | 0.71980 | 0.30490 | 0.95190 |
4 | 0.78020 | 0.69510 | 0.45190 |
Set of atoms in the unit cell related by symmetry with the atom H21_2:
Atom | x | y | z |
1 | 0.78020 | 0.80490 | 0.95190 |
2 | 0.71980 | 0.19510 | 0.45190 |
3 | 0.28020 | 0.69510 | 0.04810 |
4 | 0.21980 | 0.30490 | 0.54810 |
Set of atoms in the unit cell related by symmetry with the atom H22_1:
Atom | x | y | z |
1 | 0.20540 | 0.30910 | 0.97640 |
2 | 0.29460 | 0.69090 | 0.47640 |
3 | 0.70540 | 0.19090 | 0.02360 |
4 | 0.79460 | 0.80910 | 0.52360 |
Set of atoms in the unit cell related by symmetry with the atom H22_2:
Atom | x | y | z |
1 | 0.79460 | 0.69090 | 0.02360 |
2 | 0.70540 | 0.30910 | 0.52360 |
3 | 0.29460 | 0.80910 | 0.97640 |
4 | 0.20540 | 0.19090 | 0.47640 |
Set of atoms in the unit cell related by symmetry with the atom C6_1:
Atom | x | y | z |
1 | 0.02784 | 0.21554 | 0.12530 |
2 | 0.47216 | 0.78446 | 0.62530 |
3 | 0.52784 | 0.28446 | 0.87470 |
4 | 0.97216 | 0.71554 | 0.37470 |
Set of atoms in the unit cell related by symmetry with the atom C6_2:
Atom | x | y | z |
1 | 0.97216 | 0.78446 | 0.87470 |
2 | 0.52784 | 0.21554 | 0.37470 |
3 | 0.47216 | 0.71554 | 0.12530 |
4 | 0.02784 | 0.28446 | 0.62530 |
Set of atoms in the unit cell related by symmetry with the atom H61_1:
Atom | x | y | z |
1 | 0.99240 | 0.25250 | 0.18550 |
2 | 0.50760 | 0.74750 | 0.68550 |
3 | 0.49240 | 0.24750 | 0.81450 |
4 | 0.00760 | 0.75250 | 0.31450 |
Set of atoms in the unit cell related by symmetry with the atom H61_2:
Atom | x | y | z |
1 | 0.00760 | 0.74750 | 0.81450 |
2 | 0.49240 | 0.25250 | 0.31450 |
3 | 0.50760 | 0.75250 | 0.18550 |
4 | 0.99240 | 0.24750 | 0.68550 |
Set of atoms in the unit cell related by symmetry with the atom H62_1:
Atom | x | y | z |
1 | 0.07460 | 0.15080 | 0.14920 |
2 | 0.42540 | 0.84920 | 0.64920 |
3 | 0.57460 | 0.34920 | 0.85080 |
4 | 0.92540 | 0.65080 | 0.35080 |
Set of atoms in the unit cell related by symmetry with the atom H62_2:
Atom | x | y | z |
1 | 0.92540 | 0.84920 | 0.85080 |
2 | 0.57460 | 0.15080 | 0.35080 |
3 | 0.42540 | 0.65080 | 0.14920 |
4 | 0.07460 | 0.34920 | 0.64920 |
Set of atoms in the unit cell related by symmetry with the atom C4_1:
Atom | x | y | z |
1 | 0.98634 | 0.21480 | 0.95810 |
2 | 0.51366 | 0.78520 | 0.45810 |
3 | 0.48634 | 0.28520 | 0.04190 |
4 | 0.01366 | 0.71480 | 0.54190 |
Set of atoms in the unit cell related by symmetry with the atom C4_2:
Atom | x | y | z |
1 | 0.01366 | 0.78520 | 0.04190 |
2 | 0.48634 | 0.21480 | 0.54190 |
3 | 0.51366 | 0.71480 | 0.95810 |
4 | 0.98634 | 0.28520 | 0.45810 |
Set of atoms in the unit cell related by symmetry with the atom H4_1:
Atom | x | y | z |
1 | 0.93950 | 0.17980 | 0.90430 |
2 | 0.56050 | 0.82020 | 0.40430 |
3 | 0.43950 | 0.32020 | 0.09570 |
4 | 0.06050 | 0.67980 | 0.59570 |
Set of atoms in the unit cell related by symmetry with the atom H4_2:
Atom | x | y | z |
1 | 0.06050 | 0.82020 | 0.09570 |
2 | 0.43950 | 0.17980 | 0.59570 |
3 | 0.56050 | 0.67980 | 0.90430 |
4 | 0.93950 | 0.32020 | 0.40430 |
Set of atoms in the unit cell related by symmetry with the atom C5_1:
Atom | x | y | z |
1 | 0.95033 | 0.17800 | 0.05248 |
2 | 0.54967 | 0.82200 | 0.55248 |
3 | 0.45033 | 0.32200 | 0.94752 |
4 | 0.04967 | 0.67800 | 0.44752 |
Set of atoms in the unit cell related by symmetry with the atom C5_2:
Atom | x | y | z |
1 | 0.04967 | 0.82200 | 0.94752 |
2 | 0.45033 | 0.17800 | 0.44752 |
3 | 0.54967 | 0.67800 | 0.05248 |
4 | 0.95033 | 0.32200 | 0.55248 |
Set of atoms in the unit cell related by symmetry with the atom H51_1:
Atom | x | y | z |
1 | 0.87360 | 0.21070 | 0.06770 |
2 | 0.62640 | 0.78930 | 0.56770 |
3 | 0.37360 | 0.28930 | 0.93230 |
4 | 0.12640 | 0.71070 | 0.43230 |
Set of atoms in the unit cell related by symmetry with the atom H51_2:
Atom | x | y | z |
1 | 0.12640 | 0.78930 | 0.93230 |
2 | 0.37360 | 0.21070 | 0.43230 |
3 | 0.62640 | 0.71070 | 0.06770 |
4 | 0.87360 | 0.28930 | 0.56770 |
Set of atoms in the unit cell related by symmetry with the atom H52_1:
Atom | x | y | z |
1 | 0.93960 | 0.09250 | 0.05740 |
2 | 0.56040 | 0.90750 | 0.55740 |
3 | 0.43960 | 0.40750 | 0.94260 |
4 | 0.06040 | 0.59250 | 0.44260 |
Set of atoms in the unit cell related by symmetry with the atom H52_2:
Atom | x | y | z |
1 | 0.06040 | 0.90750 | 0.94260 |
2 | 0.43960 | 0.09250 | 0.44260 |
3 | 0.56040 | 0.59250 | 0.05740 |
4 | 0.93960 | 0.40750 | 0.55740 |
Set of atoms in the unit cell related by symmetry with the atom C8_1:
Atom | x | y | z |
1 | 0.03521 | 0.38287 | 0.03740 |
2 | 0.46479 | 0.61713 | 0.53740 |
3 | 0.53521 | 0.11713 | 0.96260 |
4 | 0.96479 | 0.88287 | 0.46260 |
Set of atoms in the unit cell related by symmetry with the atom C8_2:
Atom | x | y | z |
1 | 0.96479 | 0.61713 | 0.96260 |
2 | 0.53521 | 0.38287 | 0.46260 |
3 | 0.46479 | 0.88287 | 0.03740 |
4 | 0.03521 | 0.11713 | 0.53740 |
Set of atoms in the unit cell related by symmetry with the atom H81_1:
Atom | x | y | z |
1 | 0.08920 | 0.44620 | 0.02040 |
2 | 0.41080 | 0.55380 | 0.52040 |
3 | 0.58920 | 0.05380 | 0.97960 |
4 | 0.91080 | 0.94620 | 0.47960 |
Set of atoms in the unit cell related by symmetry with the atom H81_2:
Atom | x | y | z |
1 | 0.91080 | 0.55380 | 0.97960 |
2 | 0.58920 | 0.44620 | 0.47960 |
3 | 0.41080 | 0.94620 | 0.02040 |
4 | 0.08920 | 0.05380 | 0.52040 |
Set of atoms in the unit cell related by symmetry with the atom H82_1:
Atom | x | y | z |
1 | 0.98250 | 0.41160 | 0.08930 |
2 | 0.51750 | 0.58840 | 0.58930 |
3 | 0.48250 | 0.08840 | 0.91070 |
4 | 0.01750 | 0.91160 | 0.41070 |
Set of atoms in the unit cell related by symmetry with the atom H82_2:
Atom | x | y | z |
1 | 0.01750 | 0.58840 | 0.91070 |
2 | 0.48250 | 0.41160 | 0.41070 |
3 | 0.51750 | 0.91160 | 0.08930 |
4 | 0.98250 | 0.08840 | 0.58930 |
Set of atoms in the unit cell related by symmetry with the atom H1_1:
Atom | x | y | z |
1 | 0.14240 | 0.33180 | 0.13180 |
2 | 0.35760 | 0.66820 | 0.63180 |
3 | 0.64240 | 0.16820 | 0.86820 |
4 | 0.85760 | 0.83180 | 0.36820 |
Set of atoms in the unit cell related by symmetry with the atom H1_2:
Atom | x | y | z |
1 | 0.85760 | 0.66820 | 0.86820 |
2 | 0.64240 | 0.33180 | 0.36820 |
3 | 0.35760 | 0.83180 | 0.13180 |
4 | 0.14240 | 0.16820 | 0.63180 |
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