MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-y,x-y,z+2/3,+1	{ 3⁺₀₀₁ \| 0 0 2/3 }
3	-x+y,-x,z+1/3,+1	{ 3^-₀₀₁ \| 0 0 1/3 }
4	x-y,-y,-z+5/6,+1	{ 2₁₀₀ \| 0 0 5/6 }
5	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
6	-x,-x+y,-z+1/6,+1	{ 2₀₁₀ \| 0 0 1/6 }
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7	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
8	-y,x-y,z+1/6,-1	{ 3'⁺₀₀₁ \| 0 0 1/6 }
9	-x+y,-x,z+5/6,-1	{ 3'^-₀₀₁ \| 0 0 5/6 }
10	x-y,-y,-z+1/3,-1	{ 2'₁₀₀ \| 0 0 1/3 }
11	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
12	-x,-x+y,-z+2/3,-1	{ 2'₀₁₀ \| 0 0 2/3 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	x-y,-y,-z,+1	2₁₀₀
5	y,x,-z,+1	2₁₁₀
6	-x,-x+y,-z,+1	2₀₁₀
1' + set click here to show and hide
7	x,y,z,-1	1'
8	-y,x-y,z,-1	3'⁺₀₀₁
9	-x+y,-x,z,-1	3'^-₀₀₁
10	x-y,-y,-z,-1	2'₁₀₀
11	y,x,-z,-1	2'₁₁₀
12	-x,-x+y,-z,-1	2'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Tb1	Tb	0.33400	0.00000	0.16667	6	m_x,2m_x,m_z	-8.53(5)	8.53
Fe1	Fe	0.88300	0.00000	0.16667	6	m_x,2m_x,m_z	4.39(4)	4.39
Fe2	Fe	0.78580	0.44970	0.17070	12	m_x,m_y,m_z	4.39(4)	4.39

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.92500	0.00000	0.41669	6
O2	O	0.41600	0.72700	0.06565	12
O3	O	0.87500	0.69400	0.41100	12
O4	O	0.85500	0.64000	0.09300	12
O5	O	0.47700	0.14200	0.42050	12
O6	O	0.18500	0.00000	0.41665	6
O7	O	0.47500	0.46200	0.40750	12
B1	B	0.33200	0.00000	0.41665	6
B2	B	0.55000	0.88000	0.07450	12
B3	B	0.78000	0.00000	0.41669	6

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 Tb1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33400	0.00000	0.16667	m_x,2m_x,m_z	0.00000	0.00000	-8.53000
2	0.00000	0.33400	0.83334	-2m_x,-m_x,m_z	0.00000	0.00000	-8.53000
3	0.66600	0.66600	0.50000	m_x,-m_x,m_z	0.00000	0.00000	-8.53000
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4	0.33400	0.00000	0.66667	-m_x,-2m_x,-m_z	0.00000	0.00000	8.53000
5	0.00000	0.33400	0.33334	2m_x,m_x,-m_z	0.00000	0.00000	8.53000
6	0.66600	0.66600	0.00000	-m_x,m_x,-m_z	0.00000	0.00000	8.53000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.88300	0.00000	0.16667	m_x,2m_x,m_z	0.00000	0.00000	4.39000
2	0.00000	0.88300	0.83334	-2m_x,-m_x,m_z	0.00000	0.00000	4.39000
3	0.11700	0.11700	0.50000	m_x,-m_x,m_z	0.00000	0.00000	4.39000
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4	0.88300	0.00000	0.66667	-m_x,-2m_x,-m_z	0.00000	0.00000	-4.39000
5	0.00000	0.88300	0.33334	2m_x,m_x,-m_z	0.00000	0.00000	-4.39000
6	0.11700	0.11700	0.00000	-m_x,m_x,-m_z	0.00000	0.00000	-4.39000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.78580	0.44970	0.17070	m_x,m_y,m_z	0.00000	0.00000	4.39000
2	0.55030	0.33610	0.83737	-m_y,m_x-m_y,m_z	0.00000	0.00000	4.39000
3	0.66390	0.21420	0.50403	-m_x+m_y,-m_x,m_z	0.00000	0.00000	4.39000
4	0.33610	0.55030	0.66263	m_x-m_y,-m_y,-m_z	0.00000	0.00000	-4.39000
5	0.44970	0.78580	0.32930	m_y,m_x,-m_z	0.00000	0.00000	-4.39000
6	0.21420	0.66390	0.99597	-m_x,-m_x+m_y,-m_z	0.00000	0.00000	-4.39000
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7	0.78580	0.44970	0.67070	-m_x,-m_y,-m_z	0.00000	0.00000	-4.39000
8	0.55030	0.33610	0.33737	m_y,-m_x+m_y,-m_z	0.00000	0.00000	-4.39000
9	0.66390	0.21420	0.00403	m_x-m_y,m_x,-m_z	0.00000	0.00000	-4.39000
10	0.33610	0.55030	0.16263	-m_x+m_y,m_y,m_z	0.00000	0.00000	4.39000
11	0.44970	0.78580	0.82930	-m_y,-m_x,m_z	0.00000	0.00000	4.39000
12	0.21420	0.66390	0.49597	m_x,m_x-m_y,m_z	0.00000	0.00000	4.39000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.92500	0.00000	0.41669
2	0.00000	0.92500	0.08336
3	0.07500	0.07500	0.75002
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4	0.92500	0.00000	0.91669
5	0.00000	0.92500	0.58336
6	0.07500	0.07500	0.25002

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.41600	0.72700	0.06565
2	0.27300	0.68900	0.73232
3	0.31100	0.58400	0.39898
4	0.68900	0.27300	0.76768
5	0.72700	0.41600	0.43435
6	0.58400	0.31100	0.10102
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7	0.41600	0.72700	0.56565
8	0.27300	0.68900	0.23232
9	0.31100	0.58400	0.89898
10	0.68900	0.27300	0.26768
11	0.72700	0.41600	0.93435
12	0.58400	0.31100	0.60102

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.87500	0.69400	0.41100
2	0.30600	0.18100	0.07767
3	0.81900	0.12500	0.74433
4	0.18100	0.30600	0.42233
5	0.69400	0.87500	0.08900
6	0.12500	0.81900	0.75567
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7	0.87500	0.69400	0.91100
8	0.30600	0.18100	0.57767
9	0.81900	0.12500	0.24433
10	0.18100	0.30600	0.92233
11	0.69400	0.87500	0.58900
12	0.12500	0.81900	0.25567

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.85500	0.64000	0.09300
2	0.36000	0.21500	0.75967
3	0.78500	0.14500	0.42633
4	0.21500	0.36000	0.74033
5	0.64000	0.85500	0.40700
6	0.14500	0.78500	0.07367
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7	0.85500	0.64000	0.59300
8	0.36000	0.21500	0.25967
9	0.78500	0.14500	0.92633
10	0.21500	0.36000	0.24033
11	0.64000	0.85500	0.90700
12	0.14500	0.78500	0.57367

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.47700	0.14200	0.42050
2	0.85800	0.33500	0.08717
3	0.66500	0.52300	0.75383
4	0.33500	0.85800	0.41283
5	0.14200	0.47700	0.07950
6	0.52300	0.66500	0.74617
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7	0.47700	0.14200	0.92050
8	0.85800	0.33500	0.58717
9	0.66500	0.52300	0.25383
10	0.33500	0.85800	0.91283
11	0.14200	0.47700	0.57950
12	0.52300	0.66500	0.24617

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.18500	0.00000	0.41665
2	0.00000	0.18500	0.08332
3	0.81500	0.81500	0.74998
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4	0.18500	0.00000	0.91665
5	0.00000	0.18500	0.58332
6	0.81500	0.81500	0.24998

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.47500	0.46200	0.40750
2	0.53800	0.01300	0.07417
3	0.98700	0.52500	0.74083
4	0.01300	0.53800	0.42583
5	0.46200	0.47500	0.09250
6	0.52500	0.98700	0.75917
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7	0.47500	0.46200	0.90750
8	0.53800	0.01300	0.57417
9	0.98700	0.52500	0.24083
10	0.01300	0.53800	0.92583
11	0.46200	0.47500	0.59250
12	0.52500	0.98700	0.25917

Set of atoms in the unit cell related by symmetry with the atom B1:

Atom	x	y	z
1	0.33200	0.00000	0.41665
2	0.00000	0.33200	0.08332
3	0.66800	0.66800	0.74998
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4	0.33200	0.00000	0.91665
5	0.00000	0.33200	0.58332
6	0.66800	0.66800	0.24998

Set of atoms in the unit cell related by symmetry with the atom B2:

Atom	x	y	z
1	0.55000	0.88000	0.07450
2	0.12000	0.67000	0.74117
3	0.33000	0.45000	0.40783
4	0.67000	0.12000	0.75883
5	0.88000	0.55000	0.42550
6	0.45000	0.33000	0.09217
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7	0.55000	0.88000	0.57450
8	0.12000	0.67000	0.24117
9	0.33000	0.45000	0.90783
10	0.67000	0.12000	0.25883
11	0.88000	0.55000	0.92550
12	0.45000	0.33000	0.59217

Set of atoms in the unit cell related by symmetry with the atom B3:

Atom	x	y	z
1	0.78000	0.00000	0.41669
2	0.00000	0.78000	0.08336
3	0.22000	0.22000	0.75002
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4	0.78000	0.00000	0.91669
5	0.00000	0.78000	0.58336
6	0.22000	0.22000	0.25002

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Tb1	Tb	0.33400	0.00000	0.16667	6	m_x,2m_x,m_z	-8.53(5)	8.53
Fe1	Fe	0.88300	0.00000	0.16667	6	m_x,2m_x,m_z	4.39(4)	4.39
Fe2	Fe	0.78580	0.44970	0.17070	12	m_x,m_y,m_z	4.39(4)	4.39

label	dim. small irrep	dim. full irrep	action	number of modes
mA2	1	1	primary	7

MAGNDATA: A Collection of magnetic structures with portable cif-type files