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+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
4	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
7	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
8	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
(1/2,1/2,0)' + set click here to show and hide
9	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
10	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
11	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
12	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
13	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
14	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
15	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }
16	-x,y,z,-1	{ m'₁₀₀ \| 0 }

[Hide]

Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,z,+1	2₀₀₁
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	x,y,-z,+1	m₀₀₁
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	-x,-y,z,-1	2'₀₀₁
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	x,y,-z,-1	m'₀₀₁
16	-x,y,z,-1	m'₁₀₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	4	0,m_y,m_z	0.0	2.7(4)	0.0	2.70
Ru1	Ru	0.00000	0.32840	0.84500	8	0,m_y,m_z	0.0	-1.44(5)	0.0	1.44

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.00000	0.25000	4
Ba2	Ba	0.00000	0.33420	0.08970	8
O1	O	0.00000	0.51360	0.25000	4
O2	O	0.27000	0.24770	0.25000	8
O3	O	0.00000	0.83350	0.08330	8
O4	O	0.25470	0.08920	0.08330	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	0.00000	0.00000	0,m_y,m_z	0.00000	2.70000	0.00000
2	0.50000	0.50000	0.50000	0,m_y,-m_z	0.00000	2.70000	0.00000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.50000	0.00000	0,-m_y,-m_z	0.00000	-2.70000	0.00000
4	0.00000	0.00000	0.50000	0,-m_y,m_z	0.00000	-2.70000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ru1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.32840	0.84500	0,m_y,m_z	0.00000	-1.44000	0.00000
2	0.50000	0.82840	0.65500	0,m_y,-m_z	0.00000	-1.44000	0.00000
3	0.00000	0.67160	0.34500	0,-m_y,m_z	0.00000	1.44000	0.00000
4	0.50000	0.17160	0.15500	0,-m_y,-m_z	0.00000	1.44000	0.00000
(1/2,1/2,0)' + set click here to show and hide
5	0.50000	0.82840	0.84500	0,-m_y,-m_z	0.00000	1.44000	0.00000
6	0.00000	0.32840	0.65500	0,-m_y,m_z	0.00000	1.44000	0.00000
7	0.50000	0.17160	0.34500	0,m_y,-m_z	0.00000	-1.44000	0.00000
8	0.00000	0.67160	0.15500	0,m_y,m_z	0.00000	-1.44000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.50000	0.25000
4	0.50000	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.00000	0.33420	0.08970
2	0.50000	0.83420	0.41030
3	0.00000	0.66580	0.58970
4	0.50000	0.16580	0.91030
(1/2,1/2,0)' + set click here to show and hide
5	0.50000	0.83420	0.08970
6	0.00000	0.33420	0.41030
7	0.50000	0.16580	0.58970
8	0.00000	0.66580	0.91030

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

Atom	x	y	z
1	0.00000	0.51360	0.25000
2	0.00000	0.48640	0.75000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.01360	0.25000
4	0.50000	0.98640	0.75000

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

Atom	x	y	z
1	0.27000	0.24770	0.25000
2	0.23000	0.74770	0.25000
3	0.73000	0.75230	0.75000
4	0.77000	0.25230	0.75000
(1/2,1/2,0)' + set click here to show and hide
5	0.77000	0.74770	0.25000
6	0.73000	0.24770	0.25000
7	0.23000	0.25230	0.75000
8	0.27000	0.75230	0.75000

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

Atom	x	y	z
1	0.00000	0.83350	0.08330
2	0.50000	0.33350	0.41670
3	0.00000	0.16650	0.58330
4	0.50000	0.66650	0.91670
(1/2,1/2,0)' + set click here to show and hide
5	0.50000	0.33350	0.08330
6	0.00000	0.83350	0.41670
7	0.50000	0.66650	0.58330
8	0.00000	0.16650	0.91670

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

Atom	x	y	z
1	0.25470	0.08920	0.08330
2	0.24530	0.58920	0.41670
3	0.74530	0.91080	0.58330
4	0.75470	0.41080	0.91670
5	0.74530	0.91080	0.91670
6	0.75470	0.41080	0.58330
7	0.25470	0.08920	0.41670
8	0.24530	0.58920	0.08330
(1/2,1/2,0)' + set click here to show and hide
9	0.75470	0.58920	0.08330
10	0.74530	0.08920	0.41670
11	0.24530	0.41080	0.58330
12	0.25470	0.91080	0.91670
13	0.24530	0.41080	0.91670
14	0.25470	0.91080	0.58330
15	0.75470	0.58920	0.41670
16	0.74530	0.08920	0.08330

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	4	0,m_y,m_z	0.0	2.7(4)	0.0	2.70
Ru1	Ru	0.00000	0.32840	0.84500	8	0,m_y,m_z	0.0	-1.44(5)	0.0	1.44

label	dim. small irrep	dim. full irrep	action	number of modes
mY2+	1	1	primary	4

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