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+1/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 1/4 1/2 3/4 }
3	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
4	x+3/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 3/4 1/2 3/4 }
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5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+3/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 3/4 1/2 1/4 }
7	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
8	x+1/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 1/4 1/2 1/4 }
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9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-x+1/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 1/4 1/2 1/4 }
11	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
12	x+3/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 3/4 1/2 1/4 }
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13	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
14	-x+3/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 3/4 1/2 3/4 }
15	-x,-y,-z,-1	{ -1' \| 0 }
16	x+1/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 1/4 1/2 3/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.37383	0.27562	0.03991	16	m_x,m_y,m_z	2.97(5)	-1.13(5)	-1.30(9)	3.46

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.37740	0.85082	0.04108	16
Ba2	Ba	0.12122	0.49187	0.09503	16
O1	O	0.38105	0.50790	0.04105	16
O2	O	0.25525	0.19920	0.08230	16
O3	O	0.00045	0.17900	0.07225	16
O4	O	0.35920	0.18600	0.45985	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	0.37383	0.27562	0.03991	m_x,m_y,m_z	2.97000	-1.13000	-1.30000
2	0.87617	0.77562	0.71009	-m_x,m_y,-m_z	-2.97000	-1.13000	1.30000
3	0.12617	0.72438	0.96009	m_x,m_y,m_z	2.97000	-1.13000	-1.30000
4	0.12383	0.22438	0.78991	-m_x,m_y,-m_z	-2.97000	-1.13000	1.30000
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5	0.87383	0.27562	0.53991	m_x,m_y,m_z	2.97000	-1.13000	-1.30000
6	0.37617	0.77562	0.21009	-m_x,m_y,-m_z	-2.97000	-1.13000	1.30000
7	0.62617	0.72438	0.46009	m_x,m_y,m_z	2.97000	-1.13000	-1.30000
8	0.62383	0.22438	0.28991	-m_x,m_y,-m_z	-2.97000	-1.13000	1.30000
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9	0.37383	0.27562	0.53991	-m_x,-m_y,-m_z	-2.97000	1.13000	1.30000
10	0.87617	0.77562	0.21009	m_x,-m_y,m_z	2.97000	1.13000	-1.30000
11	0.12617	0.72438	0.46009	-m_x,-m_y,-m_z	-2.97000	1.13000	1.30000
12	0.12383	0.22438	0.28991	m_x,-m_y,m_z	2.97000	1.13000	-1.30000
(1/2,0,0)' + set click here to show and hide
13	0.87383	0.27562	0.03991	-m_x,-m_y,-m_z	-2.97000	1.13000	1.30000
14	0.37617	0.77562	0.71009	m_x,-m_y,m_z	2.97000	1.13000	-1.30000
15	0.62617	0.72438	0.96009	-m_x,-m_y,-m_z	-2.97000	1.13000	1.30000
16	0.62383	0.22438	0.78991	m_x,-m_y,m_z	2.97000	1.13000	-1.30000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.37740	0.85082	0.04108
2	0.87260	0.35082	0.70892
3	0.12260	0.14918	0.95892
4	0.12740	0.64918	0.79108
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5	0.87740	0.85082	0.54108
6	0.37260	0.35082	0.20892
7	0.62260	0.14918	0.45892
8	0.62740	0.64918	0.29108
(0,0,1/2)' + set click here to show and hide
9	0.37740	0.85082	0.54108
10	0.87260	0.35082	0.20892
11	0.12260	0.14918	0.45892
12	0.12740	0.64918	0.29108
(1/2,0,0)' + set click here to show and hide
13	0.87740	0.85082	0.04108
14	0.37260	0.35082	0.70892
15	0.62260	0.14918	0.95892
16	0.62740	0.64918	0.79108

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

Atom	x	y	z
1	0.12122	0.49187	0.09503
2	0.12878	0.99187	0.65497
3	0.37878	0.50813	0.90497
4	0.87122	0.00813	0.84503
(1/2,0,1/2) + set click here to show and hide
5	0.62122	0.49187	0.59503
6	0.62878	0.99187	0.15497
7	0.87878	0.50813	0.40497
8	0.37122	0.00813	0.34503
(0,0,1/2)' + set click here to show and hide
9	0.12122	0.49187	0.59503
10	0.12878	0.99187	0.15497
11	0.37878	0.50813	0.40497
12	0.87122	0.00813	0.34503
(1/2,0,0)' + set click here to show and hide
13	0.62122	0.49187	0.09503
14	0.62878	0.99187	0.65497
15	0.87878	0.50813	0.90497
16	0.37122	0.00813	0.84503

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

Atom	x	y	z
1	0.38105	0.50790	0.04105
2	0.86895	0.00790	0.70895
3	0.11895	0.49210	0.95895
4	0.13105	0.99210	0.79105
(1/2,0,1/2) + set click here to show and hide
5	0.88105	0.50790	0.54105
6	0.36895	0.00790	0.20895
7	0.61895	0.49210	0.45895
8	0.63105	0.99210	0.29105
(0,0,1/2)' + set click here to show and hide
9	0.38105	0.50790	0.54105
10	0.86895	0.00790	0.20895
11	0.11895	0.49210	0.45895
12	0.13105	0.99210	0.29105
(1/2,0,0)' + set click here to show and hide
13	0.88105	0.50790	0.04105
14	0.36895	0.00790	0.70895
15	0.61895	0.49210	0.95895
16	0.63105	0.99210	0.79105

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

Atom	x	y	z
1	0.25525	0.19920	0.08230
2	0.99475	0.69920	0.66770
3	0.24475	0.80080	0.91770
4	0.00525	0.30080	0.83230
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5	0.75525	0.19920	0.58230
6	0.49475	0.69920	0.16770
7	0.74475	0.80080	0.41770
8	0.50525	0.30080	0.33230
(0,0,1/2)' + set click here to show and hide
9	0.25525	0.19920	0.58230
10	0.99475	0.69920	0.16770
11	0.24475	0.80080	0.41770
12	0.00525	0.30080	0.33230
(1/2,0,0)' + set click here to show and hide
13	0.75525	0.19920	0.08230
14	0.49475	0.69920	0.66770
15	0.74475	0.80080	0.91770
16	0.50525	0.30080	0.83230

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

Atom	x	y	z
1	0.00045	0.17900	0.07225
2	0.24955	0.67900	0.67775
3	0.49955	0.82100	0.92775
4	0.75045	0.32100	0.82225
(1/2,0,1/2) + set click here to show and hide
5	0.50045	0.17900	0.57225
6	0.74955	0.67900	0.17775
7	0.99955	0.82100	0.42775
8	0.25045	0.32100	0.32225
(0,0,1/2)' + set click here to show and hide
9	0.00045	0.17900	0.57225
10	0.24955	0.67900	0.17775
11	0.49955	0.82100	0.42775
12	0.75045	0.32100	0.32225
(1/2,0,0)' + set click here to show and hide
13	0.50045	0.17900	0.07225
14	0.74955	0.67900	0.67775
15	0.99955	0.82100	0.92775
16	0.25045	0.32100	0.82225

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

Atom	x	y	z
1	0.35920	0.18600	0.45985
2	0.89080	0.68600	0.29015
3	0.14080	0.81400	0.54015
4	0.10920	0.31400	0.20985
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5	0.85920	0.18600	0.95985
6	0.39080	0.68600	0.79015
7	0.64080	0.81400	0.04015
8	0.60920	0.31400	0.70985
(0,0,1/2)' + set click here to show and hide
9	0.35920	0.18600	0.95985
10	0.89080	0.68600	0.79015
11	0.14080	0.81400	0.04015
12	0.10920	0.31400	0.70985
(1/2,0,0)' + set click here to show and hide
13	0.85920	0.18600	0.45985
14	0.39080	0.68600	0.29015
15	0.64080	0.81400	0.54015
16	0.60920	0.31400	0.20985

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.37383	0.27562	0.03991	16	m_x,m_y,m_z	2.97(5)	-1.13(5)	-1.30(9)	3.46

label	dim. small irrep	dim. full irrep	action	number of modes
mY1-	1	1	primary	3

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