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	0.38300	0.27700	0.03650	16	m_x,m_y,m_z	0.0	0.9	3.08	3.21

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.11715	0.49260	0.09535	16
Ba2	Ba	0.37850	0.85210	0.04165	16
O1	O	0.25800	0.20450	0.08330	16
O2	O	0.49900	0.17490	0.07120	16
O3	O	0.35160	0.18600	0.45925	16
O4	O	0.38700	0.50720	0.04030	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	0.38300	0.27700	0.03650	m_x,m_y,m_z	0.00000	0.90000	3.08000
2	0.86700	0.77700	0.71350	-m_x,m_y,-m_z	0.00000	0.90000	-3.08000
3	0.11700	0.72300	0.96350	m_x,m_y,m_z	0.00000	0.90000	3.08000
4	0.13300	0.22300	0.78650	-m_x,m_y,-m_z	0.00000	0.90000	-3.08000
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5	0.88300	0.27700	0.53650	m_x,m_y,m_z	0.00000	0.90000	3.08000
6	0.36700	0.77700	0.21350	-m_x,m_y,-m_z	0.00000	0.90000	-3.08000
7	0.61700	0.72300	0.46350	m_x,m_y,m_z	0.00000	0.90000	3.08000
8	0.63300	0.22300	0.28650	-m_x,m_y,-m_z	0.00000	0.90000	-3.08000
(0,0,1/2)' + set click here to show and hide
9	0.38300	0.27700	0.53650	-m_x,-m_y,-m_z	0.00000	-0.90000	-3.08000
10	0.86700	0.77700	0.21350	m_x,-m_y,m_z	0.00000	-0.90000	3.08000
11	0.11700	0.72300	0.46350	-m_x,-m_y,-m_z	0.00000	-0.90000	-3.08000
12	0.13300	0.22300	0.28650	m_x,-m_y,m_z	0.00000	-0.90000	3.08000
(1/2,0,0)' + set click here to show and hide
13	0.88300	0.27700	0.03650	-m_x,-m_y,-m_z	0.00000	-0.90000	-3.08000
14	0.36700	0.77700	0.71350	m_x,-m_y,m_z	0.00000	-0.90000	3.08000
15	0.61700	0.72300	0.96350	-m_x,-m_y,-m_z	0.00000	-0.90000	-3.08000
16	0.63300	0.22300	0.78650	m_x,-m_y,m_z	0.00000	-0.90000	3.08000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.11715	0.49260	0.09535
2	0.13285	0.99260	0.65465
3	0.38285	0.50740	0.90465
4	0.86715	0.00740	0.84535
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5	0.61715	0.49260	0.59535
6	0.63285	0.99260	0.15465
7	0.88285	0.50740	0.40465
8	0.36715	0.00740	0.34535
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9	0.11715	0.49260	0.59535
10	0.13285	0.99260	0.15465
11	0.38285	0.50740	0.40465
12	0.86715	0.00740	0.34535
(1/2,0,0)' + set click here to show and hide
13	0.61715	0.49260	0.09535
14	0.63285	0.99260	0.65465
15	0.88285	0.50740	0.90465
16	0.36715	0.00740	0.84535

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

Atom	x	y	z
1	0.37850	0.85210	0.04165
2	0.87150	0.35210	0.70835
3	0.12150	0.14790	0.95835
4	0.12850	0.64790	0.79165
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5	0.87850	0.85210	0.54165
6	0.37150	0.35210	0.20835
7	0.62150	0.14790	0.45835
8	0.62850	0.64790	0.29165
(0,0,1/2)' + set click here to show and hide
9	0.37850	0.85210	0.54165
10	0.87150	0.35210	0.20835
11	0.12150	0.14790	0.45835
12	0.12850	0.64790	0.29165
(1/2,0,0)' + set click here to show and hide
13	0.87850	0.85210	0.04165
14	0.37150	0.35210	0.70835
15	0.62150	0.14790	0.95835
16	0.62850	0.64790	0.79165

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

Atom	x	y	z
1	0.25800	0.20450	0.08330
2	0.99200	0.70450	0.66670
3	0.24200	0.79550	0.91670
4	0.00800	0.29550	0.83330
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5	0.75800	0.20450	0.58330
6	0.49200	0.70450	0.16670
7	0.74200	0.79550	0.41670
8	0.50800	0.29550	0.33330
(0,0,1/2)' + set click here to show and hide
9	0.25800	0.20450	0.58330
10	0.99200	0.70450	0.16670
11	0.24200	0.79550	0.41670
12	0.00800	0.29550	0.33330
(1/2,0,0)' + set click here to show and hide
13	0.75800	0.20450	0.08330
14	0.49200	0.70450	0.66670
15	0.74200	0.79550	0.91670
16	0.50800	0.29550	0.83330

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

Atom	x	y	z
1	0.49900	0.17490	0.07120
2	0.75100	0.67490	0.67880
3	0.00100	0.82510	0.92880
4	0.24900	0.32510	0.82120
(1/2,0,1/2) + set click here to show and hide
5	0.99900	0.17490	0.57120
6	0.25100	0.67490	0.17880
7	0.50100	0.82510	0.42880
8	0.74900	0.32510	0.32120
(0,0,1/2)' + set click here to show and hide
9	0.49900	0.17490	0.57120
10	0.75100	0.67490	0.17880
11	0.00100	0.82510	0.42880
12	0.24900	0.32510	0.32120
(1/2,0,0)' + set click here to show and hide
13	0.99900	0.17490	0.07120
14	0.25100	0.67490	0.67880
15	0.50100	0.82510	0.92880
16	0.74900	0.32510	0.82120

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

Atom	x	y	z
1	0.35160	0.18600	0.45925
2	0.89840	0.68600	0.29075
3	0.14840	0.81400	0.54075
4	0.10160	0.31400	0.20925
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5	0.85160	0.18600	0.95925
6	0.39840	0.68600	0.79075
7	0.64840	0.81400	0.04075
8	0.60160	0.31400	0.70925
(0,0,1/2)' + set click here to show and hide
9	0.35160	0.18600	0.95925
10	0.89840	0.68600	0.79075
11	0.14840	0.81400	0.04075
12	0.10160	0.31400	0.70925
(1/2,0,0)' + set click here to show and hide
13	0.85160	0.18600	0.45925
14	0.39840	0.68600	0.29075
15	0.64840	0.81400	0.54075
16	0.60160	0.31400	0.20925

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

Atom	x	y	z
1	0.38700	0.50720	0.04030
2	0.86300	0.00720	0.70970
3	0.11300	0.49280	0.95970
4	0.13700	0.99280	0.79030
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5	0.88700	0.50720	0.54030
6	0.36300	0.00720	0.20970
7	0.61300	0.49280	0.45970
8	0.63700	0.99280	0.29030
(0,0,1/2)' + set click here to show and hide
9	0.38700	0.50720	0.54030
10	0.86300	0.00720	0.20970
11	0.11300	0.49280	0.45970
12	0.13700	0.99280	0.29030
(1/2,0,0)' + set click here to show and hide
13	0.88700	0.50720	0.04030
14	0.36300	0.00720	0.70970
15	0.61300	0.49280	0.95970
16	0.63700	0.99280	0.79030

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.38300	0.27700	0.03650	16	m_x,m_y,m_z	0.0	0.9	3.08	3.21

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