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	x-y,x,z+1/2,+1	{ 6⁺₀₀₁ \| 0 0 1/2 }
3	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
5	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
6	y,-x+y,z+1/2,+1	{ 6^-₀₀₁ \| 0 0 1/2 }
7	-x,-y,-z,+1	{ -1 \| 0 }
8	-x+y,-x,-z+1/2,+1	{ -6⁺₀₀₁ \| 0 0 1/2 }
9	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
10	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
11	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
12	-y,x-y,-z+1/2,+1	{ -6^-₀₀₁ \| 0 0 1/2 }
13	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
14	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
15	-x,-x+y,-z,-1	{ 2'₀₁₀ \| 0 }
16	x,x-y,-z+1/2,-1	{ 2'₂₁₀ \| 0 0 1/2 }
17	-x+y,y,-z+1/2,-1	{ 2'₁₂₀ \| 0 0 1/2 }
18	-y,-x,-z+1/2,-1	{ 2'_1-10 \| 0 0 1/2 }
19	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
20	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
21	x,x-y,z,-1	{ m'₀₁₀ \| 0 }
22	-x,-x+y,z+1/2,-1	{ m'₂₁₀ \| 0 0 1/2 }
23	x-y,-y,z+1/2,-1	{ m'₁₂₀ \| 0 0 1/2 }
24	y,x,z+1/2,-1	{ m'_1-10 \| 0 0 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-y,x,z,+1	6⁺₀₀₁
3	-y,x-y,z,+1	3⁺₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-x+y,-x,z,+1	3^-₀₀₁
6	y,-x+y,z,+1	6^-₀₀₁
7	-x,-y,-z,+1	-1
8	-x+y,-x,-z,+1	-6⁺₀₀₁
9	y,-x+y,-z,+1	-3⁺₀₀₁
10	x,y,-z,+1	m₀₀₁
11	x-y,x,-z,+1	-3^-₀₀₁
12	-y,x-y,-z,+1	-6^-₀₀₁
13	x-y,-y,-z,-1	2'₁₀₀
14	y,x,-z,-1	2'₁₁₀
15	-x,-x+y,-z,-1	2'₀₁₀
16	x,x-y,-z,-1	2'₂₁₀
17	-x+y,y,-z,-1	2'₁₂₀
18	-y,-x,-z,-1	2'_1-10
19	-x+y,y,z,-1	m'₁₀₀
20	-y,-x,z,-1	m'₁₁₀
21	x,x-y,z,-1	m'₀₁₀
22	-x,-x+y,z,-1	m'₂₁₀
23	x-y,-y,z,-1	m'₁₂₀
24	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe7PR	Fe	0.33333	0.66667	0.74559	0.5	4	0,0,m_z	3.7(5)	3.70
Fe4OS	Fe	0.33333	0.66667	0.92604	0.888	4	0,0,m_z	3.8(4)	3.80
Fe3OSS	Fe	0.50000	0.00000	0.00000	0.695	6	m_x,2m_x,m_z	3.1(5)	3.10
Fe1TS	Fe	0.00000	0.00000	0.05545	0.878	4	0,0,m_z	-5.0(5)	5.00
Fe2TS	Fe	0.33333	0.66667	0.09273	0.949	4	0,0,m_z	-4.3(3)	4.30
Fe6OR	Fe	0.33333	0.66667	0.20826	0.854	4	0,0,m_z	-4.6(4)	4.60
Fe5ORS	Fe	0.83534	0.67068	0.15083	0.944	12	m_x,2m_x,m_z	3.5(3)	3.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1	Sr	0.00000	0.00000	0.25000	1.	2
Ni4OS	Ni	0.33333	0.66667	0.92604	0.112	4
Ni3OSS	Ni	0.50000	0.00000	0.00000	0.305	6
Ni1TS	Ni	0.00000	0.00000	0.05545	0.122	4
Ni2TS	Ni	0.33333	0.66667	0.09273	0.051	4
Ni6OR	Ni	0.33333	0.66667	0.20826	0.146	4
Ni5ORS	Ni	0.83534	0.67068	0.15083	0.056	12
O1	O	0.82480	0.64960	0.03594	1.	12
O2	O	0.33333	0.66667	0.03445	1.	4
O3	O	0.51070	0.02140	0.11070	1.	12
O4	O	0.00000	0.00000	0.11275	1.	4
O5	O	0.16250	0.32500	0.18006	1.	12
O6	O	0.33333	0.66667	0.81870	1.	4
O7	O	0.48370	0.96740	0.25000	1.	6

[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 Fe7PR:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.74559	0,0,m_z	3.70000
2	0.66666	0.33333	0.24559	0,0,m_z	3.70000
3	0.66667	0.33333	0.25441	0,0,m_z	3.70000
4	0.33334	0.66667	0.75441	0,0,m_z	3.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4OS:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.92604	0,0,m_z	3.80000
2	0.66666	0.33333	0.42604	0,0,m_z	3.80000
3	0.66667	0.33333	0.07396	0,0,m_z	3.80000
4	0.33334	0.66667	0.57396	0,0,m_z	3.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3OSS:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.50000	0.00000	0.00000	m_x,2m_x,m_z	3.10000
2	0.50000	0.50000	0.50000	-m_x,m_x,m_z	3.10000
3	0.00000	0.50000	0.00000	-2m_x,-m_x,m_z	3.10000
4	0.50000	0.00000	0.50000	-m_x,-2m_x,m_z	3.10000
5	0.50000	0.50000	0.00000	m_x,-m_x,m_z	3.10000
6	0.00000	0.50000	0.50000	2m_x,m_x,m_z	3.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1TS:

Atom	z	Symmetry constraints on M	M_z
1	0.05545	0,0,m_z	-5.00000
2	0.55545	0,0,m_z	-5.00000
3	0.94455	0,0,m_z	-5.00000
4	0.44455	0,0,m_z	-5.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2TS:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.09273	0,0,m_z	-4.30000
2	0.66666	0.33333	0.59273	0,0,m_z	-4.30000
3	0.66667	0.33333	0.90727	0,0,m_z	-4.30000
4	0.33334	0.66667	0.40727	0,0,m_z	-4.30000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe6OR:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.20826	0,0,m_z	-4.60000
2	0.66666	0.33333	0.70826	0,0,m_z	-4.60000
3	0.66667	0.33333	0.79174	0,0,m_z	-4.60000
4	0.33334	0.66667	0.29174	0,0,m_z	-4.60000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5ORS:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.83534	0.67068	0.15083	m_x,2m_x,m_z	3.50000
2	0.16466	0.83534	0.65083	-m_x,m_x,m_z	3.50000
3	0.32932	0.16466	0.15083	-2m_x,-m_x,m_z	3.50000
4	0.16466	0.32932	0.65083	-m_x,-2m_x,m_z	3.50000
5	0.83534	0.16466	0.15083	m_x,-m_x,m_z	3.50000
6	0.67068	0.83534	0.65083	2m_x,m_x,m_z	3.50000
7	0.16466	0.32932	0.84917	m_x,2m_x,m_z	3.50000
8	0.83534	0.16466	0.34917	-m_x,m_x,m_z	3.50000
9	0.67068	0.83534	0.84917	-2m_x,-m_x,m_z	3.50000
10	0.83534	0.67068	0.34917	-m_x,-2m_x,m_z	3.50000
11	0.16466	0.83534	0.84917	m_x,-m_x,m_z	3.50000
12	0.32932	0.16466	0.34917	2m_x,m_x,m_z	3.50000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ni4OS:

Atom	x	y	z
1	0.33333	0.66667	0.92604
2	0.66666	0.33333	0.42604
3	0.66667	0.33333	0.07396
4	0.33334	0.66667	0.57396

Set of atoms in the unit cell related by symmetry with the atom Ni3OSS:

Atom	x	y	z
1	0.50000	0.00000	0.00000
2	0.50000	0.50000	0.50000
3	0.00000	0.50000	0.00000
4	0.50000	0.00000	0.50000
5	0.50000	0.50000	0.00000
6	0.00000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ni1TS:

Atom	x	y	z
1	0.00000	0.00000	0.05545
2	0.00000	0.00000	0.55545
3	0.00000	0.00000	0.94455
4	0.00000	0.00000	0.44455

Set of atoms in the unit cell related by symmetry with the atom Ni2TS:

Atom	x	y	z
1	0.33333	0.66667	0.09273
2	0.66666	0.33333	0.59273
3	0.66667	0.33333	0.90727
4	0.33334	0.66667	0.40727

Set of atoms in the unit cell related by symmetry with the atom Ni6OR:

Atom	x	y	z
1	0.33333	0.66667	0.20826
2	0.66666	0.33333	0.70826
3	0.66667	0.33333	0.79174
4	0.33334	0.66667	0.29174

Set of atoms in the unit cell related by symmetry with the atom Ni5ORS:

Atom	x	y	z
1	0.83534	0.67068	0.15083
2	0.16466	0.83534	0.65083
3	0.32932	0.16466	0.15083
4	0.16466	0.32932	0.65083
5	0.83534	0.16466	0.15083
6	0.67068	0.83534	0.65083
7	0.16466	0.32932	0.84917
8	0.83534	0.16466	0.34917
9	0.67068	0.83534	0.84917
10	0.83534	0.67068	0.34917
11	0.16466	0.83534	0.84917
12	0.32932	0.16466	0.34917

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

Atom	x	y	z
1	0.82480	0.64960	0.03594
2	0.17520	0.82480	0.53594
3	0.35040	0.17520	0.03594
4	0.17520	0.35040	0.53594
5	0.82480	0.17520	0.03594
6	0.64960	0.82480	0.53594
7	0.17520	0.35040	0.96406
8	0.82480	0.17520	0.46406
9	0.64960	0.82480	0.96406
10	0.82480	0.64960	0.46406
11	0.17520	0.82480	0.96406
12	0.35040	0.17520	0.46406

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

Atom	x	y	z
1	0.33333	0.66667	0.03445
2	0.66666	0.33333	0.53445
3	0.66667	0.33333	0.96555
4	0.33334	0.66667	0.46555

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

Atom	x	y	z
1	0.51070	0.02140	0.11070
2	0.48930	0.51070	0.61070
3	0.97860	0.48930	0.11070
4	0.48930	0.97860	0.61070
5	0.51070	0.48930	0.11070
6	0.02140	0.51070	0.61070
7	0.48930	0.97860	0.88930
8	0.51070	0.48930	0.38930
9	0.02140	0.51070	0.88930
10	0.51070	0.02140	0.38930
11	0.48930	0.51070	0.88930
12	0.97860	0.48930	0.38930

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

Atom	x	y	z
1	0.00000	0.00000	0.11275
2	0.00000	0.00000	0.61275
3	0.00000	0.00000	0.88725
4	0.00000	0.00000	0.38725

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

Atom	x	y	z
1	0.16250	0.32500	0.18006
2	0.83750	0.16250	0.68006
3	0.67500	0.83750	0.18006
4	0.83750	0.67500	0.68006
5	0.16250	0.83750	0.18006
6	0.32500	0.16250	0.68006
7	0.83750	0.67500	0.81994
8	0.16250	0.83750	0.31994
9	0.32500	0.16250	0.81994
10	0.16250	0.32500	0.31994
11	0.83750	0.16250	0.81994
12	0.67500	0.83750	0.31994

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

Atom	x	y	z
1	0.33333	0.66667	0.81870
2	0.66666	0.33333	0.31870
3	0.66667	0.33333	0.18130
4	0.33334	0.66667	0.68130

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

Atom	x	y	z
1	0.48370	0.96740	0.25000
2	0.51630	0.48370	0.75000
3	0.03260	0.51630	0.25000
4	0.51630	0.03260	0.75000
5	0.48370	0.51630	0.25000
6	0.96740	0.48370	0.75000

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe7PR	Fe	0.33333	0.66667	0.74559	0.5	4	0,0,m_z	3.7(5)	3.70
Fe4OS	Fe	0.33333	0.66667	0.92604	0.888	4	0,0,m_z	3.8(4)	3.80
Fe3OSS	Fe	0.50000	0.00000	0.00000	0.695	6	m_x,2m_x,m_z	3.1(5)	3.10
Fe1TS	Fe	0.00000	0.00000	0.05545	0.878	4	0,0,m_z	-5.0(5)	5.00
Fe2TS	Fe	0.33333	0.66667	0.09273	0.949	4	0,0,m_z	-4.3(3)	4.30
Fe6OR	Fe	0.33333	0.66667	0.20826	0.854	4	0,0,m_z	-4.6(4)	4.60
Fe5ORS	Fe	0.83534	0.67068	0.15083	0.944	12	m_x,2m_x,m_z	3.5(3)	3.50

[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: