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+1/2,-y,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
(0,1/4,1/4) + set click here to show and hide
3	x,y+1/4,z+1/4,+1	{ 1 \| 0 1/4 1/4 }
4	x+1/2,-y+1/4,-z+1/4,+1	{ 2₁₀₀ \| 1/2 1/4 1/4 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
(0,3/4,3/4) + set click here to show and hide
7	x,y+3/4,z+3/4,+1	{ 1 \| 0 3/4 3/4 }
8	x+1/2,-y+3/4,-z+3/4,+1	{ 2₁₀₀ \| 1/2 3/4 3/4 }
(0,1/4,3/4)' + set click here to show and hide
9	x,y+1/4,z+3/4,-1	{ 1' \| 0 1/4 3/4 }
10	x+1/2,-y+1/4,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 1/4 3/4 }
(0,1/2,0)' + set click here to show and hide
11	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
12	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
(0,3/4,1/4)' + set click here to show and hide
13	x,y+3/4,z+1/4,-1	{ 1' \| 0 3/4 1/4 }
14	x+1/2,-y+3/4,-z+1/4,-1	{ 2'₁₀₀ \| 1/2 3/4 1/4 }
(0,0,1/2)' + set click here to show and hide
15	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
16	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	x,-y,-z,-1	2'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.20637	0.00000	16	m_x,m_y,m_z	3.4(2)	0.0	0.0	3.40

Non-magnetic atoms:

Label	Atom type	x	y	Multiplicity
Ba1	Ba	0.46050	0.42608	16
F1	F	0.19810	0.15090	16
F2	F	0.72710	0.16680	16
F3	F	0.32070	0.23590	16
F4	F	0.01120	0.46030	16

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	0.20637	0.00000	m_x,m_y,m_z	3.40000	0.00000	0.00000
2	0.50000	0.79363	0.00000	m_x,-m_y,-m_z	3.40000	0.00000	0.00000
(0,1/4,1/4) + set click here to show and hide
3	0.00000	0.45637	0.25000	m_x,m_y,m_z	3.40000	0.00000	0.00000
4	0.50000	0.04363	0.25000	m_x,-m_y,-m_z	3.40000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.70637	0.50000	m_x,m_y,m_z	3.40000	0.00000	0.00000
6	0.50000	0.29363	0.50000	m_x,-m_y,-m_z	3.40000	0.00000	0.00000
(0,3/4,3/4) + set click here to show and hide
7	0.00000	0.95637	0.75000	m_x,m_y,m_z	3.40000	0.00000	0.00000
8	0.50000	0.54363	0.75000	m_x,-m_y,-m_z	3.40000	0.00000	0.00000
(0,1/4,3/4)' + set click here to show and hide
9	0.00000	0.45637	0.75000	-m_x,-m_y,-m_z	-3.40000	0.00000	0.00000
10	0.50000	0.04363	0.75000	-m_x,m_y,m_z	-3.40000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.70637	0.00000	-m_x,-m_y,-m_z	-3.40000	0.00000	0.00000
12	0.50000	0.29363	0.00000	-m_x,m_y,m_z	-3.40000	0.00000	0.00000
(0,3/4,1/4)' + set click here to show and hide
13	0.00000	0.95637	0.25000	-m_x,-m_y,-m_z	-3.40000	0.00000	0.00000
14	0.50000	0.54363	0.25000	-m_x,m_y,m_z	-3.40000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.20637	0.50000	-m_x,-m_y,-m_z	-3.40000	0.00000	0.00000
16	0.50000	0.79363	0.50000	-m_x,m_y,m_z	-3.40000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.46050	0.42608	0.00000
2	0.96050	0.57392	0.00000
(0,1/4,1/4) + set click here to show and hide
3	0.46050	0.67608	0.25000
4	0.96050	0.82392	0.25000
(0,1/2,1/2) + set click here to show and hide
5	0.46050	0.92608	0.50000
6	0.96050	0.07392	0.50000
(0,3/4,3/4) + set click here to show and hide
7	0.46050	0.17608	0.75000
8	0.96050	0.32392	0.75000
(0,1/4,3/4)' + set click here to show and hide
9	0.46050	0.67608	0.75000
10	0.96050	0.82392	0.75000
(0,1/2,0)' + set click here to show and hide
11	0.46050	0.92608	0.00000
12	0.96050	0.07392	0.00000
(0,3/4,1/4)' + set click here to show and hide
13	0.46050	0.17608	0.25000
14	0.96050	0.32392	0.25000
(0,0,1/2)' + set click here to show and hide
15	0.46050	0.42608	0.50000
16	0.96050	0.57392	0.50000

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.19810	0.15090	0.00000
2	0.69810	0.84910	0.00000
(0,1/4,1/4) + set click here to show and hide
3	0.19810	0.40090	0.25000
4	0.69810	0.09910	0.25000
(0,1/2,1/2) + set click here to show and hide
5	0.19810	0.65090	0.50000
6	0.69810	0.34910	0.50000
(0,3/4,3/4) + set click here to show and hide
7	0.19810	0.90090	0.75000
8	0.69810	0.59910	0.75000
(0,1/4,3/4)' + set click here to show and hide
9	0.19810	0.40090	0.75000
10	0.69810	0.09910	0.75000
(0,1/2,0)' + set click here to show and hide
11	0.19810	0.65090	0.00000
12	0.69810	0.34910	0.00000
(0,3/4,1/4)' + set click here to show and hide
13	0.19810	0.90090	0.25000
14	0.69810	0.59910	0.25000
(0,0,1/2)' + set click here to show and hide
15	0.19810	0.15090	0.50000
16	0.69810	0.84910	0.50000

Set of atoms in the unit cell related by symmetry with the atom F2:

Atom	x	y	z
1	0.72710	0.16680	0.00000
2	0.22710	0.83320	0.00000
(0,1/4,1/4) + set click here to show and hide
3	0.72710	0.41680	0.25000
4	0.22710	0.08320	0.25000
(0,1/2,1/2) + set click here to show and hide
5	0.72710	0.66680	0.50000
6	0.22710	0.33320	0.50000
(0,3/4,3/4) + set click here to show and hide
7	0.72710	0.91680	0.75000
8	0.22710	0.58320	0.75000
(0,1/4,3/4)' + set click here to show and hide
9	0.72710	0.41680	0.75000
10	0.22710	0.08320	0.75000
(0,1/2,0)' + set click here to show and hide
11	0.72710	0.66680	0.00000
12	0.22710	0.33320	0.00000
(0,3/4,1/4)' + set click here to show and hide
13	0.72710	0.91680	0.25000
14	0.22710	0.58320	0.25000
(0,0,1/2)' + set click here to show and hide
15	0.72710	0.16680	0.50000
16	0.22710	0.83320	0.50000

Set of atoms in the unit cell related by symmetry with the atom F3:

Atom	x	y	z
1	0.32070	0.23590	0.00000
2	0.82070	0.76410	0.00000
(0,1/4,1/4) + set click here to show and hide
3	0.32070	0.48590	0.25000
4	0.82070	0.01410	0.25000
(0,1/2,1/2) + set click here to show and hide
5	0.32070	0.73590	0.50000
6	0.82070	0.26410	0.50000
(0,3/4,3/4) + set click here to show and hide
7	0.32070	0.98590	0.75000
8	0.82070	0.51410	0.75000
(0,1/4,3/4)' + set click here to show and hide
9	0.32070	0.48590	0.75000
10	0.82070	0.01410	0.75000
(0,1/2,0)' + set click here to show and hide
11	0.32070	0.73590	0.00000
12	0.82070	0.26410	0.00000
(0,3/4,1/4)' + set click here to show and hide
13	0.32070	0.98590	0.25000
14	0.82070	0.51410	0.25000
(0,0,1/2)' + set click here to show and hide
15	0.32070	0.23590	0.50000
16	0.82070	0.76410	0.50000

Set of atoms in the unit cell related by symmetry with the atom F4:

Atom	x	y	z
1	0.01120	0.46030	0.00000
2	0.51120	0.53970	0.00000
(0,1/4,1/4) + set click here to show and hide
3	0.01120	0.71030	0.25000
4	0.51120	0.78970	0.25000
(0,1/2,1/2) + set click here to show and hide
5	0.01120	0.96030	0.50000
6	0.51120	0.03970	0.50000
(0,3/4,3/4) + set click here to show and hide
7	0.01120	0.21030	0.75000
8	0.51120	0.28970	0.75000
(0,1/4,3/4)' + set click here to show and hide
9	0.01120	0.71030	0.75000
10	0.51120	0.78970	0.75000
(0,1/2,0)' + set click here to show and hide
11	0.01120	0.96030	0.00000
12	0.51120	0.03970	0.00000
(0,3/4,1/4)' + set click here to show and hide
13	0.01120	0.21030	0.25000
14	0.51120	0.28970	0.25000
(0,0,1/2)' + set click here to show and hide
15	0.01120	0.46030	0.50000
16	0.51120	0.53970	0.50000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.20637	0.00000	16	m_x,m_y,m_z	3.4(2)	0.0	0.0	3.40

label	dim. small irrep	dim. full irrep	action	number of modes
mS1	1	2	primary	3

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