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+1/4,x+3/4,z+1/4,+1	{ 4⁺₀₀₁ \| 1/4 3/4 1/4 }
3	y+3/4,-x+3/4,z+1/4,+1	{ 4^-₀₀₁ \| 3/4 3/4 1/4 }
4	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	y+3/4,-x+1/4,-z+3/4,+1	{ -4⁺₀₀₁ \| 3/4 1/4 3/4 }
7	-y+1/4,x+1/4,-z+3/4,+1	{ -4^-₀₀₁ \| 1/4 1/4 3/4 }
8	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
9	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
10	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
11	y+3/4,x+1/4,-z+3/4,-1	{ 2'₁₁₀ \| 3/4 1/4 3/4 }
12	-y+1/4,-x+1/4,-z+3/4,-1	{ 2'_1-10 \| 1/4 1/4 3/4 }
13	-x,y,z,-1	{ m'₁₀₀ \| 0 }
14	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
15	-y+1/4,-x+3/4,z+1/4,-1	{ m'₁₁₀ \| 1/4 3/4 1/4 }
16	y+3/4,x+3/4,z+1/4,-1	{ m'_1-10 \| 3/4 3/4 1/4 }
(1/2,1/2,1/2) + set click here to show and hide
17	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
18	-y+3/4,x+1/4,z+3/4,+1	{ 4⁺₀₀₁ \| 3/4 1/4 3/4 }
19	y+1/4,-x+1/4,z+3/4,+1	{ 4^-₀₀₁ \| 1/4 1/4 3/4 }
20	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
21	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
22	y+1/4,-x+3/4,-z+1/4,+1	{ -4⁺₀₀₁ \| 1/4 3/4 1/4 }
23	-y+3/4,x+3/4,-z+1/4,+1	{ -4^-₀₀₁ \| 3/4 3/4 1/4 }
24	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
25	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
26	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
27	y+1/4,x+3/4,-z+1/4,-1	{ 2'₁₁₀ \| 1/4 3/4 1/4 }
28	-y+3/4,-x+3/4,-z+1/4,-1	{ 2'_1-10 \| 3/4 3/4 1/4 }
29	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
30	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
31	-y+3/4,-x+1/4,z+3/4,-1	{ m'₁₁₀ \| 3/4 1/4 3/4 }
32	y+1/4,x+1/4,z+3/4,-1	{ m'_1-10 \| 1/4 1/4 3/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	y,-x,-z,+1	-4⁺₀₀₁
7	-y,x,-z,+1	-4^-₀₀₁
8	x,y,-z,+1	m₀₀₁
9	x,-y,-z,-1	2'₁₀₀
10	-x,y,-z,-1	2'₀₁₀
11	y,x,-z,-1	2'₁₁₀
12	-y,-x,-z,-1	2'_1-10
13	-x,y,z,-1	m'₁₀₀
14	x,-y,z,-1	m'₀₁₀
15	-y,-x,z,-1	m'₁₁₀
16	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Co1	Co	0.25000	0.37500	0.765	4	0,0,m_z	0.0	-2.25(4)	2.25
Cu1	Cu	0.25000	0.37500	0.235	4	0,0,m_z	0.0	-2.25(4)	2.25
Mn1	Mn	0.00000	0.00000	0.59	8	0,m_y,m_z	0.55(8)	3.64(5)	3.68
Co2	Co	0.00000	0.00000	0.41	8	0,m_y,m_z	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1	O	0.00000	0.5257	0.2417	1.	16

[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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.37500	0,0,m_z	0.00000	0.00000	-2.25000
2	0.00000	0.75000	0.62500	0,0,m_z	0.00000	0.00000	-2.25000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.87500	0,0,m_z	0.00000	0.00000	-2.25000
4	0.50000	0.25000	0.12500	0,0,m_z	0.00000	0.00000	-2.25000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.37500	0,0,m_z	0.00000	0.00000	-2.25000
2	0.00000	0.75000	0.62500	0,0,m_z	0.00000	0.00000	-2.25000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.87500	0,0,m_z	0.00000	0.00000	-2.25000
4	0.50000	0.25000	0.12500	0,0,m_z	0.00000	0.00000	-2.25000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	0.55000	3.64000
2	0.25000	0.75000	0.25000	-m_y,0,m_z	-0.55000	0.00000	3.64000
3	0.75000	0.75000	0.25000	m_y,0,m_z	0.55000	0.00000	3.64000
4	0.00000	0.50000	0.00000	0,-m_y,m_z	0.00000	-0.55000	3.64000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000	0,m_y,m_z	0.00000	0.55000	3.64000
6	0.75000	0.25000	0.75000	-m_y,0,m_z	-0.55000	0.00000	3.64000
7	0.25000	0.25000	0.75000	m_y,0,m_z	0.55000	0.00000	3.64000
8	0.50000	0.00000	0.50000	0,-m_y,m_z	0.00000	-0.55000	3.64000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	0.00000	0.00000
2	0.25000	0.75000	0.25000	-m_y,0,m_z	0.00000	0.00000	0.00000
3	0.75000	0.75000	0.25000	m_y,0,m_z	0.00000	0.00000	0.00000
4	0.00000	0.50000	0.00000	0,-m_y,m_z	0.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000	0,m_y,m_z	0.00000	0.00000	0.00000
6	0.75000	0.25000	0.75000	-m_y,0,m_z	0.00000	0.00000	0.00000
7	0.25000	0.25000	0.75000	m_y,0,m_z	0.00000	0.00000	0.00000
8	0.50000	0.00000	0.50000	0,-m_y,m_z	0.00000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.52570	0.24170
2	0.72430	0.75000	0.49170
3	0.27570	0.75000	0.49170
4	0.00000	0.97430	0.24170
5	0.00000	0.47430	0.75830
6	0.27570	0.25000	0.50830
7	0.72430	0.25000	0.50830
8	0.00000	0.02570	0.75830
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9	0.50000	0.02570	0.74170
10	0.22430	0.25000	0.99170
11	0.77570	0.25000	0.99170
12	0.50000	0.47430	0.74170
13	0.50000	0.97430	0.25830
14	0.77570	0.75000	0.00830
15	0.22430	0.75000	0.00830
16	0.50000	0.52570	0.25830

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Label	Atom type	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Co1	Co	0.25000	0.37500	0.765	4	0,0,m_z	0.0	-2.25(4)	2.25
Cu1	Cu	0.25000	0.37500	0.235	4	0,0,m_z	0.0	-2.25(4)	2.25
Mn1	Mn	0.00000	0.00000	0.59	8	0,m_y,m_z	0.55(8)	3.64(5)	3.68
Co2	Co	0.00000	0.00000	0.41	8	0,m_y,m_z	0.0	0.0	0.00

[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: