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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.22639(6)	0.12500	0.460305(15)	16	m_x,m_y,m_z	0.0	-1.6(2)	0.0	1.60

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cs1	Cs	0.98962(5)	0.12500	0.102210(15)	16
Cs2	Cs	0.66676(5)	0.12500	0.456385(15)	16
O1	O	0.2997(7)	0.12500	0.0327(2)	16
O2	O	0.0199(7)	0.12500	0.4592(3)	16
O3_1	O	0.1954(5)	0.26350(25)	0.17620(15)	16
O3_2	O	0.3046(5)	0.73650(25)	0.42620(15)	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 Ru1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22639	0.12500	0.46031	m_x,m_y,m_z	0.00000	-1.60000	0.00000
2	0.72639	0.12500	0.28970	m_x,-m_y,-m_z	0.00000	1.60000	0.00000
3	0.77361	0.87500	0.03970	m_x,m_y,m_z	0.00000	-1.60000	0.00000
4	0.27361	0.37500	0.71031	m_x,-m_y,-m_z	0.00000	1.60000	0.00000
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5	0.22639	0.62500	0.96031	m_x,m_y,m_z	0.00000	-1.60000	0.00000
6	0.72639	0.62500	0.78970	m_x,-m_y,-m_z	0.00000	1.60000	0.00000
7	0.77361	0.37500	0.53970	m_x,m_y,m_z	0.00000	-1.60000	0.00000
8	0.27361	0.87500	0.21031	m_x,-m_y,-m_z	0.00000	1.60000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.22639	0.12500	0.96031	-m_x,-m_y,-m_z	0.00000	1.60000	0.00000
10	0.72639	0.12500	0.78970	-m_x,m_y,m_z	0.00000	-1.60000	0.00000
11	0.77361	0.87500	0.53970	-m_x,-m_y,-m_z	0.00000	1.60000	0.00000
12	0.27361	0.37500	0.21031	-m_x,m_y,m_z	0.00000	-1.60000	0.00000
(0,1/2,0)' + set click here to show and hide
13	0.22639	0.62500	0.46031	-m_x,-m_y,-m_z	0.00000	1.60000	0.00000
14	0.72639	0.62500	0.28970	-m_x,m_y,m_z	0.00000	-1.60000	0.00000
15	0.77361	0.37500	0.03970	-m_x,-m_y,-m_z	0.00000	1.60000	0.00000
16	0.27361	0.87500	0.71031	-m_x,m_y,m_z	0.00000	-1.60000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cs1:

Atom	x	y	z
1	0.98962	0.12500	0.10221
2	0.48962	0.12500	0.64779
3	0.01038	0.87500	0.39779
4	0.51038	0.37500	0.35221
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5	0.98962	0.62500	0.60221
6	0.48962	0.62500	0.14779
7	0.01038	0.37500	0.89779
8	0.51038	0.87500	0.85221
(0,0,1/2)' + set click here to show and hide
9	0.98962	0.12500	0.60221
10	0.48962	0.12500	0.14779
11	0.01038	0.87500	0.89779
12	0.51038	0.37500	0.85221
(0,1/2,0)' + set click here to show and hide
13	0.98962	0.62500	0.10221
14	0.48962	0.62500	0.64779
15	0.01038	0.37500	0.39779
16	0.51038	0.87500	0.35221

Set of atoms in the unit cell related by symmetry with the atom Cs2:

Atom	x	y	z
1	0.66676	0.12500	0.45638
2	0.16676	0.12500	0.29362
3	0.33324	0.87500	0.04362
4	0.83324	0.37500	0.70639
(0,1/2,1/2) + set click here to show and hide
5	0.66676	0.62500	0.95639
6	0.16676	0.62500	0.79362
7	0.33324	0.37500	0.54362
8	0.83324	0.87500	0.20639
(0,0,1/2)' + set click here to show and hide
9	0.66676	0.12500	0.95639
10	0.16676	0.12500	0.79362
11	0.33324	0.87500	0.54362
12	0.83324	0.37500	0.20639
(0,1/2,0)' + set click here to show and hide
13	0.66676	0.62500	0.45639
14	0.16676	0.62500	0.29362
15	0.33324	0.37500	0.04362
16	0.83324	0.87500	0.70639

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

Atom	x	y	z
1	0.29970	0.12500	0.03270
2	0.79970	0.12500	0.71730
3	0.70030	0.87500	0.46730
4	0.20030	0.37500	0.28270
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5	0.29970	0.62500	0.53270
6	0.79970	0.62500	0.21730
7	0.70030	0.37500	0.96730
8	0.20030	0.87500	0.78270
(0,0,1/2)' + set click here to show and hide
9	0.29970	0.12500	0.53270
10	0.79970	0.12500	0.21730
11	0.70030	0.87500	0.96730
12	0.20030	0.37500	0.78270
(0,1/2,0)' + set click here to show and hide
13	0.29970	0.62500	0.03270
14	0.79970	0.62500	0.71730
15	0.70030	0.37500	0.46730
16	0.20030	0.87500	0.28270

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

Atom	x	y	z
1	0.01990	0.12500	0.45920
2	0.51990	0.12500	0.29080
3	0.98010	0.87500	0.04080
4	0.48010	0.37500	0.70920
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5	0.01990	0.62500	0.95920
6	0.51990	0.62500	0.79080
7	0.98010	0.37500	0.54080
8	0.48010	0.87500	0.20920
(0,0,1/2)' + set click here to show and hide
9	0.01990	0.12500	0.95920
10	0.51990	0.12500	0.79080
11	0.98010	0.87500	0.54080
12	0.48010	0.37500	0.20920
(0,1/2,0)' + set click here to show and hide
13	0.01990	0.62500	0.45920
14	0.51990	0.62500	0.29080
15	0.98010	0.37500	0.04080
16	0.48010	0.87500	0.70920

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.19540	0.26350	0.17620
2	0.69540	0.98650	0.57380
3	0.80460	0.73650	0.32380
4	0.30460	0.51350	0.42620
(0,1/2,1/2) + set click here to show and hide
5	0.19540	0.76350	0.67620
6	0.69540	0.48650	0.07380
7	0.80460	0.23650	0.82380
8	0.30460	0.01350	0.92620
(0,0,1/2)' + set click here to show and hide
9	0.19540	0.26350	0.67620
10	0.69540	0.98650	0.07380
11	0.80460	0.73650	0.82380
12	0.30460	0.51350	0.92620
(0,1/2,0)' + set click here to show and hide
13	0.19540	0.76350	0.17620
14	0.69540	0.48650	0.57380
15	0.80460	0.23650	0.32380
16	0.30460	0.01350	0.42620

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.30460	0.73650	0.42620
2	0.80460	0.51350	0.32380
3	0.69540	0.26350	0.07380
4	0.19540	0.98650	0.67620
(0,1/2,1/2) + set click here to show and hide
5	0.30460	0.23650	0.92620
6	0.80460	0.01350	0.82380
7	0.69540	0.76350	0.57380
8	0.19540	0.48650	0.17620
(0,0,1/2)' + set click here to show and hide
9	0.30460	0.73650	0.92620
10	0.80460	0.51350	0.82380
11	0.69540	0.26350	0.57380
12	0.19540	0.98650	0.17620
(0,1/2,0)' + set click here to show and hide
13	0.30460	0.23650	0.42620
14	0.80460	0.01350	0.32380
15	0.69540	0.76350	0.07380
16	0.19540	0.48650	0.67620

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.22639(6)	0.12500	0.460305(15)	16	m_x,m_y,m_z	0.0	-1.6(2)	0.0	1.60

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mT2	2	2	special	primary	3

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