MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,-y,-z,+1	{ 2₁₀₀ \| 0 }
3	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	x+1/2,-y,-z,-1	{ 2'₁₀₀ \| 1/2 0 0 }
7	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
8	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
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9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
11	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
12	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
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13	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
14	x,-y+1/2,-z,-1	{ 2'₁₀₀ \| 0 1/2 0 }
15	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
16	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,y,-z,-1	2'₀₁₀
8	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1_1	Tb	0.49412	0.00000	0.00000	8	M_x,0,0	0.0	0.0	0.0	0.00
Tb1_2	Tb	0.74411	0.25000	0.00000	8	0,M_y,M_z	0.0	0.0	0.0	0.00
Tb2_1	Tb	0.11607	0.36728	0.25497	16	M_x,M_y,M_z	3.64(8)	5.31(6)	-1.76(4)	6.67
Tb2_2	Tb	0.86607	0.11728	0.25497	16	M_x,M_y,M_z	-3.64(8)	-5.31(6)	1.76(4)	6.67

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Nb1_1	Nb	-0.00465	0.25000	0.00000	8
Nb1_2	Nb	0.74535	0.00000	0.00000	8
O1_1	O	0.14651	0.43933	0.02152	16
O1_2	O	0.89651	0.18933	0.02152	16
O2_1	O	0.15724	0.43723	0.46373	16
O2_2	O	-0.09276	0.18723	0.46373	16
O3_1	O	0.00000	0.06418	0.25000	8
O3_2	O	0.25000	0.31418	0.25000	8
O4_1	O	0.00000	0.43238	0.25000	8
O4_2	O	0.25000	0.68238	0.25000	8
O5_1	O	0.00000	0.28382	0.25000	8
O5_2	O	0.25000	0.53382	0.25000	8

[Show all atoms in unit cell and their moment relations]

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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49412	0.00000	0.00000	m_x,0,0	0.00000	0.00000	0.00000
2	0.50588	0.00000	0.50000	-m_x,0,0	0.00000	0.00000	0.00000
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3	0.99412	0.00000	0.00000	-m_x,0,0	0.00000	0.00000	0.00000
4	0.00588	0.00000	0.50000	m_x,0,0	0.00000	0.00000	0.00000
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5	0.99412	0.50000	0.00000	m_x,0,0	0.00000	0.00000	0.00000
6	0.00588	0.50000	0.50000	-m_x,0,0	0.00000	0.00000	0.00000
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7	0.49412	0.50000	0.00000	-m_x,0,0	0.00000	0.00000	0.00000
8	0.50588	0.50000	0.50000	m_x,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.74411	0.25000	0.00000	0,m_y,m_z	0.00000	0.00000	0.00000
2	0.25589	0.25000	0.50000	0,m_y,-m_z	0.00000	0.00000	0.00000
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3	0.24411	0.25000	0.00000	0,-m_y,-m_z	0.00000	0.00000	0.00000
4	0.75589	0.25000	0.50000	0,-m_y,m_z	0.00000	0.00000	0.00000
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5	0.24411	0.75000	0.00000	0,m_y,m_z	0.00000	0.00000	0.00000
6	0.75589	0.75000	0.50000	0,m_y,-m_z	0.00000	0.00000	0.00000
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7	0.74411	0.75000	0.00000	0,-m_y,-m_z	0.00000	0.00000	0.00000
8	0.25589	0.75000	0.50000	0,-m_y,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.11607	0.36728	0.25497	m_x,m_y,m_z	3.64000	5.31000	-1.76000
2	0.11607	0.63272	0.74503	m_x,-m_y,-m_z	3.64000	-5.31000	1.76000
3	0.88393	0.36728	0.24503	-m_x,m_y,-m_z	-3.64000	5.31000	1.76000
4	0.88393	0.63272	0.75497	-m_x,-m_y,m_z	-3.64000	-5.31000	-1.76000
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5	0.61607	0.36728	0.25497	-m_x,-m_y,-m_z	-3.64000	-5.31000	1.76000
6	0.61607	0.63272	0.74503	-m_x,m_y,m_z	-3.64000	5.31000	-1.76000
7	0.38393	0.36728	0.24503	m_x,-m_y,m_z	3.64000	-5.31000	-1.76000
8	0.38393	0.63272	0.75497	m_x,m_y,-m_z	3.64000	5.31000	1.76000
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9	0.61607	0.86728	0.25497	m_x,m_y,m_z	3.64000	5.31000	-1.76000
10	0.61607	0.13272	0.74503	m_x,-m_y,-m_z	3.64000	-5.31000	1.76000
11	0.38393	0.86728	0.24503	-m_x,m_y,-m_z	-3.64000	5.31000	1.76000
12	0.38393	0.13272	0.75497	-m_x,-m_y,m_z	-3.64000	-5.31000	-1.76000
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13	0.11607	0.86728	0.25497	-m_x,-m_y,-m_z	-3.64000	-5.31000	1.76000
14	0.11607	0.13272	0.74503	-m_x,m_y,m_z	-3.64000	5.31000	-1.76000
15	0.88393	0.86728	0.24503	m_x,-m_y,m_z	3.64000	-5.31000	-1.76000
16	0.88393	0.13272	0.75497	m_x,m_y,-m_z	3.64000	5.31000	1.76000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.86607	0.11728	0.25497	m_x,m_y,m_z	-3.64000	-5.31000	1.76000
2	0.86607	0.88272	0.74503	m_x,-m_y,-m_z	-3.64000	5.31000	-1.76000
3	0.13393	0.11728	0.24503	-m_x,m_y,-m_z	3.64000	-5.31000	-1.76000
4	0.13393	0.88272	0.75497	-m_x,-m_y,m_z	3.64000	5.31000	1.76000
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5	0.36607	0.11728	0.25497	-m_x,-m_y,-m_z	3.64000	5.31000	-1.76000
6	0.36607	0.88272	0.74503	-m_x,m_y,m_z	3.64000	-5.31000	1.76000
7	0.63393	0.11728	0.24503	m_x,-m_y,m_z	-3.64000	5.31000	1.76000
8	0.63393	0.88272	0.75497	m_x,m_y,-m_z	-3.64000	-5.31000	-1.76000
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9	0.36607	0.61728	0.25497	m_x,m_y,m_z	-3.64000	-5.31000	1.76000
10	0.36607	0.38272	0.74503	m_x,-m_y,-m_z	-3.64000	5.31000	-1.76000
11	0.63393	0.61728	0.24503	-m_x,m_y,-m_z	3.64000	-5.31000	-1.76000
12	0.63393	0.38272	0.75497	-m_x,-m_y,m_z	3.64000	5.31000	1.76000
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13	0.86607	0.61728	0.25497	-m_x,-m_y,-m_z	3.64000	5.31000	-1.76000
14	0.86607	0.38272	0.74503	-m_x,m_y,m_z	3.64000	-5.31000	1.76000
15	0.13393	0.61728	0.24503	m_x,-m_y,m_z	-3.64000	5.31000	1.76000
16	0.13393	0.38272	0.75497	m_x,m_y,-m_z	-3.64000	-5.31000	-1.76000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Nb1_1:

Atom	x	y	z
1	0.99535	0.25000	0.00000
2	0.00465	0.25000	0.50000
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3	0.49535	0.25000	0.00000
4	0.50465	0.25000	0.50000
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5	0.49535	0.75000	0.00000
6	0.50465	0.75000	0.50000
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7	0.99535	0.75000	0.00000
8	0.00465	0.75000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Nb1_2:

Atom	x	y	z
1	0.74535	0.00000	0.00000
2	0.25465	0.00000	0.50000
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3	0.24535	0.00000	0.00000
4	0.75465	0.00000	0.50000
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5	0.24535	0.50000	0.00000
6	0.75465	0.50000	0.50000
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7	0.74535	0.50000	0.00000
8	0.25465	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.14651	0.43933	0.02152
2	0.14651	0.56067	0.97848
3	0.85349	0.43933	0.47848
4	0.85349	0.56067	0.52152
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5	0.64651	0.43933	0.02152
6	0.64651	0.56067	0.97848
7	0.35349	0.43933	0.47848
8	0.35349	0.56067	0.52152
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9	0.64651	0.93933	0.02152
10	0.64651	0.06067	0.97848
11	0.35349	0.93933	0.47848
12	0.35349	0.06067	0.52152
(0,1/2,0)' + set click here to show and hide
13	0.14651	0.93933	0.02152
14	0.14651	0.06067	0.97848
15	0.85349	0.93933	0.47848
16	0.85349	0.06067	0.52152

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.89651	0.18933	0.02152
2	0.89651	0.81067	0.97848
3	0.10349	0.18933	0.47848
4	0.10349	0.81067	0.52152
(1/2,0,0)' + set click here to show and hide
5	0.39651	0.18933	0.02152
6	0.39651	0.81067	0.97848
7	0.60349	0.18933	0.47848
8	0.60349	0.81067	0.52152
(1/2,1/2,0) + set click here to show and hide
9	0.39651	0.68933	0.02152
10	0.39651	0.31067	0.97848
11	0.60349	0.68933	0.47848
12	0.60349	0.31067	0.52152
(0,1/2,0)' + set click here to show and hide
13	0.89651	0.68933	0.02152
14	0.89651	0.31067	0.97848
15	0.10349	0.68933	0.47848
16	0.10349	0.31067	0.52152

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.15724	0.43723	0.46373
2	0.15724	0.56277	0.53627
3	0.84276	0.43723	0.03627
4	0.84276	0.56277	0.96373
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5	0.65724	0.43723	0.46373
6	0.65724	0.56277	0.53627
7	0.34276	0.43723	0.03627
8	0.34276	0.56277	0.96373
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9	0.65724	0.93723	0.46373
10	0.65724	0.06277	0.53627
11	0.34276	0.93723	0.03627
12	0.34276	0.06277	0.96373
(0,1/2,0)' + set click here to show and hide
13	0.15724	0.93723	0.46373
14	0.15724	0.06277	0.53627
15	0.84276	0.93723	0.03627
16	0.84276	0.06277	0.96373

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.90724	0.18723	0.46373
2	0.90724	0.81277	0.53627
3	0.09276	0.18723	0.03627
4	0.09276	0.81277	0.96373
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5	0.40724	0.18723	0.46373
6	0.40724	0.81277	0.53627
7	0.59276	0.18723	0.03627
8	0.59276	0.81277	0.96373
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9	0.40724	0.68723	0.46373
10	0.40724	0.31277	0.53627
11	0.59276	0.68723	0.03627
12	0.59276	0.31277	0.96373
(0,1/2,0)' + set click here to show and hide
13	0.90724	0.68723	0.46373
14	0.90724	0.31277	0.53627
15	0.09276	0.68723	0.03627
16	0.09276	0.31277	0.96373

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.00000	0.06418	0.25000
2	0.00000	0.93582	0.75000
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3	0.50000	0.06418	0.25000
4	0.50000	0.93582	0.75000
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5	0.50000	0.56418	0.25000
6	0.50000	0.43582	0.75000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.56418	0.25000
8	0.00000	0.43582	0.75000

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.25000	0.31418	0.25000
2	0.25000	0.68582	0.75000
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3	0.75000	0.31418	0.25000
4	0.75000	0.68582	0.75000
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5	0.75000	0.81418	0.25000
6	0.75000	0.18582	0.75000
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7	0.25000	0.81418	0.25000
8	0.25000	0.18582	0.75000

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.00000	0.43238	0.25000
2	0.00000	0.56762	0.75000
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3	0.50000	0.43238	0.25000
4	0.50000	0.56762	0.75000
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5	0.50000	0.93238	0.25000
6	0.50000	0.06762	0.75000
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7	0.00000	0.93238	0.25000
8	0.00000	0.06762	0.75000

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.25000	0.68238	0.25000
2	0.25000	0.31762	0.75000
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3	0.75000	0.68238	0.25000
4	0.75000	0.31762	0.75000
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5	0.75000	0.18238	0.25000
6	0.75000	0.81762	0.75000
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7	0.25000	0.18238	0.25000
8	0.25000	0.81762	0.75000

Set of atoms in the unit cell related by symmetry with the atom O5_1:

Atom	x	y	z
1	0.00000	0.28382	0.25000
2	0.00000	0.71618	0.75000
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3	0.50000	0.28382	0.25000
4	0.50000	0.71618	0.75000
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5	0.50000	0.78382	0.25000
6	0.50000	0.21618	0.75000
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7	0.00000	0.78382	0.25000
8	0.00000	0.21618	0.75000

Set of atoms in the unit cell related by symmetry with the atom O5_2:

Atom	x	y	z
1	0.25000	0.53382	0.25000
2	0.25000	0.46618	0.75000
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3	0.75000	0.53382	0.25000
4	0.75000	0.46618	0.75000
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5	0.75000	0.03382	0.25000
6	0.75000	0.96618	0.75000
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7	0.25000	0.03382	0.25000
8	0.25000	0.96618	0.75000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1_1	Tb	0.49412	0.00000	0.00000	8	M_x,0,0	0.0	0.0	0.0	0.00
Tb1_2	Tb	0.74411	0.25000	0.00000	8	0,M_y,M_z	0.0	0.0	0.0	0.00
Tb2_1	Tb	0.11607	0.36728	0.25497	16	M_x,M_y,M_z	3.64(8)	5.31(6)	-1.76(4)	6.67
Tb2_2	Tb	0.86607	0.11728	0.25497	16	M_x,M_y,M_z	-3.64(8)	-5.31(6)	1.76(4)	6.67

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: