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 }

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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\|
Fe1	Fe	0.33333	0.66667	0.75000	1.	2	0,0,m_z	3.9(2)	3.90
Fe2	Fe	0.33333	0.66667	0.57320	0.914	4	0,0,m_z	4.9(2)	4.90
Fe3	Fe	0.50000	0.00000	0.00000	0.595	6	m_x,2m_x,m_z	4.1(1)	4.10
Fe4	Fe	0.00000	0.00000	0.05520	0.852	4	0,0,m_z	-4.7(1)	4.70
Fe5	Fe	0.33333	0.66667	0.09260	0.876	4	0,0,m_z	-4.5(1)	4.50
Fe6	Fe	0.33333	0.66667	0.20720	1.	4	0,0,m_z	-4.2(2)	4.20
Fe7	Fe	0.83570	0.67140	0.15060	1.	12	m_x,2m_x,m_z	4.8(1)	4.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ba1	Ba	0.00000	0.00000	0.25000	1.	2
Co1	Co	0.33333	0.66667	0.57320	0.086	4
Co2	Co	0.50000	0.00000	0.00000	0.405	6
Co3	Co	0.00000	0.00000	0.05520	0.148	4
Co4	Co	0.33333	0.66667	0.09260	0.124	4
O1	O	0.00000	0.00000	0.11600	1.	4
O2	O	0.33333	0.66667	0.03170	1.	4
O3	O	0.33333	0.66667	0.67300	1.	4
O4	O	0.48800	0.97600	0.25000	1.	6
O5	O	0.50200	0.00400	0.10980	1.	12
O6	O	0.82400	0.64800	0.03500	1.	12
O7	O	0.17000	0.34000	0.18110	1.	12

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.75000	0,0,m_z	0.00000	0.00000	3.90000
2	0.66666	0.33333	0.25000	0,0,m_z	0.00000	0.00000	3.90000

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

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.57320	0,0,m_z	4.90000
2	0.66666	0.33333	0.07320	0,0,m_z	4.90000
3	0.66667	0.33333	0.42680	0,0,m_z	4.90000
4	0.33334	0.66667	0.92680	0,0,m_z	4.90000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.50000	0.00000	0.00000	m_x,2m_x,m_z	4.10000
2	0.50000	0.50000	0.50000	-m_x,m_x,m_z	4.10000
3	0.00000	0.50000	0.00000	-2m_x,-m_x,m_z	4.10000
4	0.50000	0.00000	0.50000	-m_x,-2m_x,m_z	4.10000
5	0.50000	0.50000	0.00000	m_x,-m_x,m_z	4.10000
6	0.00000	0.50000	0.50000	2m_x,m_x,m_z	4.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:

Atom	z	Symmetry constraints on M	M_z
1	0.05520	0,0,m_z	-4.70000
2	0.55520	0,0,m_z	-4.70000
3	0.94480	0,0,m_z	-4.70000
4	0.44480	0,0,m_z	-4.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.09260	0,0,m_z	-4.50000
2	0.66666	0.33333	0.59260	0,0,m_z	-4.50000
3	0.66667	0.33333	0.90740	0,0,m_z	-4.50000
4	0.33334	0.66667	0.40740	0,0,m_z	-4.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe6:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.20720	0,0,m_z	-4.20000
2	0.66666	0.33333	0.70720	0,0,m_z	-4.20000
3	0.66667	0.33333	0.79280	0,0,m_z	-4.20000
4	0.33334	0.66667	0.29280	0,0,m_z	-4.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe7:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.83570	0.67140	0.15060	m_x,2m_x,m_z	4.80000
2	0.16430	0.83570	0.65060	-m_x,m_x,m_z	4.80000
3	0.32860	0.16430	0.15060	-2m_x,-m_x,m_z	4.80000
4	0.16430	0.32860	0.65060	-m_x,-2m_x,m_z	4.80000
5	0.83570	0.16430	0.15060	m_x,-m_x,m_z	4.80000
6	0.67140	0.83570	0.65060	2m_x,m_x,m_z	4.80000
7	0.16430	0.32860	0.84940	m_x,2m_x,m_z	4.80000
8	0.83570	0.16430	0.34940	-m_x,m_x,m_z	4.80000
9	0.67140	0.83570	0.84940	-2m_x,-m_x,m_z	4.80000
10	0.83570	0.67140	0.34940	-m_x,-2m_x,m_z	4.80000
11	0.16430	0.83570	0.84940	m_x,-m_x,m_z	4.80000
12	0.32860	0.16430	0.34940	2m_x,m_x,m_z	4.80000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

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 Co1:

Atom	x	y	z
1	0.33333	0.66667	0.57320
2	0.66666	0.33333	0.07320
3	0.66667	0.33333	0.42680
4	0.33334	0.66667	0.92680

Set of atoms in the unit cell related by symmetry with the atom Co2:

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 Co3:

Atom	x	y	z
1	0.00000	0.00000	0.05520
2	0.00000	0.00000	0.55520
3	0.00000	0.00000	0.94480
4	0.00000	0.00000	0.44480

Set of atoms in the unit cell related by symmetry with the atom Co4:

Atom	x	y	z
1	0.33333	0.66667	0.09260
2	0.66666	0.33333	0.59260
3	0.66667	0.33333	0.90740
4	0.33334	0.66667	0.40740

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

Atom	x	y	z
1	0.00000	0.00000	0.11600
2	0.00000	0.00000	0.61600
3	0.00000	0.00000	0.88400
4	0.00000	0.00000	0.38400

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

Atom	x	y	z
1	0.33333	0.66667	0.03170
2	0.66666	0.33333	0.53170
3	0.66667	0.33333	0.96830
4	0.33334	0.66667	0.46830

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

Atom	x	y	z
1	0.33333	0.66667	0.67300
2	0.66666	0.33333	0.17300
3	0.66667	0.33333	0.32700
4	0.33334	0.66667	0.82700

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

Atom	x	y	z
1	0.48800	0.97600	0.25000
2	0.51200	0.48800	0.75000
3	0.02400	0.51200	0.25000
4	0.51200	0.02400	0.75000
5	0.48800	0.51200	0.25000
6	0.97600	0.48800	0.75000

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

Atom	x	y	z
1	0.50200	0.00400	0.10980
2	0.49800	0.50200	0.60980
3	0.99600	0.49800	0.10980
4	0.49800	0.99600	0.60980
5	0.50200	0.49800	0.10980
6	0.00400	0.50200	0.60980
7	0.49800	0.99600	0.89020
8	0.50200	0.49800	0.39020
9	0.00400	0.50200	0.89020
10	0.50200	0.00400	0.39020
11	0.49800	0.50200	0.89020
12	0.99600	0.49800	0.39020

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

Atom	x	y	z
1	0.82400	0.64800	0.03500
2	0.17600	0.82400	0.53500
3	0.35200	0.17600	0.03500
4	0.17600	0.35200	0.53500
5	0.82400	0.17600	0.03500
6	0.64800	0.82400	0.53500
7	0.17600	0.35200	0.96500
8	0.82400	0.17600	0.46500
9	0.64800	0.82400	0.96500
10	0.82400	0.64800	0.46500
11	0.17600	0.82400	0.96500
12	0.35200	0.17600	0.46500

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

Atom	x	y	z
1	0.17000	0.34000	0.18110
2	0.83000	0.17000	0.68110
3	0.66000	0.83000	0.18110
4	0.83000	0.66000	0.68110
5	0.17000	0.83000	0.18110
6	0.34000	0.17000	0.68110
7	0.83000	0.66000	0.81890
8	0.17000	0.83000	0.31890
9	0.34000	0.17000	0.81890
10	0.17000	0.34000	0.31890
11	0.83000	0.17000	0.81890
12	0.66000	0.83000	0.31890

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.33333	0.66667	0.75000	1.	2	0,0,m_z	3.9(2)	3.90
Fe2	Fe	0.33333	0.66667	0.57320	0.914	4	0,0,m_z	4.9(2)	4.90
Fe3	Fe	0.50000	0.00000	0.00000	0.595	6	m_x,2m_x,m_z	4.1(1)	4.10
Fe4	Fe	0.00000	0.00000	0.05520	0.852	4	0,0,m_z	-4.7(1)	4.70
Fe5	Fe	0.33333	0.66667	0.09260	0.876	4	0,0,m_z	-4.5(1)	4.50
Fe6	Fe	0.33333	0.66667	0.20720	1.	4	0,0,m_z	-4.2(2)	4.20
Fe7	Fe	0.83570	0.67140	0.15060	1.	12	m_x,2m_x,m_z	4.8(1)	4.80

[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: