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 }
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9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
11	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
12	x,-y+1/2,-z,-1	{ 2'₁₀₀ \| 0 1/2 0 }
13	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
14	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
15	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
16	-x,y+1/2,z,-1	{ m'₁₀₀ \| 0 1/2 0 }

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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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.154	0.114	0.07	16	m_x,m_y,m_z	3.49(2)	0.0	0.0	3.49
Mn2	Mn	0.38	0.137	0.75	8	0,0,m_z	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.412	0.25	0	8
O2	O	0.166	0.194	0.25	8
O3	O	0.4	0.968	0.105	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.15400	0.11400	0.07000	m_x,m_y,m_z	3.49000	0.00000	0.00000
2	0.34600	0.61400	0.43000	-m_x,m_y,-m_z	-3.49000	0.00000	0.00000
3	0.84600	0.88600	0.57000	-m_x,-m_y,m_z	-3.49000	0.00000	0.00000
4	0.65400	0.38600	0.93000	m_x,-m_y,-m_z	3.49000	0.00000	0.00000
5	0.84600	0.88600	0.93000	m_x,m_y,m_z	3.49000	0.00000	0.00000
6	0.65400	0.38600	0.57000	-m_x,m_y,-m_z	-3.49000	0.00000	0.00000
7	0.15400	0.11400	0.43000	-m_x,-m_y,m_z	-3.49000	0.00000	0.00000
8	0.34600	0.61400	0.07000	m_x,-m_y,-m_z	3.49000	0.00000	0.00000
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9	0.65400	0.11400	0.07000	-m_x,-m_y,-m_z	-3.49000	0.00000	0.00000
10	0.84600	0.61400	0.43000	m_x,-m_y,m_z	3.49000	0.00000	0.00000
11	0.34600	0.88600	0.57000	m_x,m_y,-m_z	3.49000	0.00000	0.00000
12	0.15400	0.38600	0.93000	-m_x,m_y,m_z	-3.49000	0.00000	0.00000
13	0.34600	0.88600	0.93000	-m_x,-m_y,-m_z	-3.49000	0.00000	0.00000
14	0.15400	0.38600	0.57000	m_x,-m_y,m_z	3.49000	0.00000	0.00000
15	0.65400	0.11400	0.43000	m_x,m_y,-m_z	3.49000	0.00000	0.00000
16	0.84600	0.61400	0.07000	-m_x,m_y,m_z	-3.49000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.38000	0.13700	0.75000	0,0,m_z	0.00000	0.00000	0.00000
2	0.12000	0.63700	0.75000	0,0,-m_z	0.00000	0.00000	0.00000
3	0.62000	0.86300	0.25000	0,0,m_z	0.00000	0.00000	0.00000
4	0.88000	0.36300	0.25000	0,0,-m_z	0.00000	0.00000	0.00000
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5	0.88000	0.13700	0.75000	0,0,-m_z	0.00000	0.00000	0.00000
6	0.62000	0.63700	0.75000	0,0,m_z	0.00000	0.00000	0.00000
7	0.12000	0.86300	0.25000	0,0,-m_z	0.00000	0.00000	0.00000
8	0.38000	0.36300	0.25000	0,0,m_z	0.00000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.41200	0.25000	0.00000
2	0.08800	0.75000	0.50000
3	0.58800	0.75000	0.00000
4	0.91200	0.25000	0.50000
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5	0.91200	0.25000	0.00000
6	0.58800	0.75000	0.50000
7	0.08800	0.75000	0.00000
8	0.41200	0.25000	0.50000

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

Atom	x	y	z
1	0.16600	0.19400	0.25000
2	0.33400	0.69400	0.25000
3	0.83400	0.80600	0.75000
4	0.66600	0.30600	0.75000
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5	0.66600	0.19400	0.25000
6	0.83400	0.69400	0.25000
7	0.33400	0.80600	0.75000
8	0.16600	0.30600	0.75000

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

Atom	x	y	z
1	0.40000	0.96800	0.10500
2	0.10000	0.46800	0.39500
3	0.60000	0.03200	0.60500
4	0.90000	0.53200	0.89500
5	0.60000	0.03200	0.89500
6	0.90000	0.53200	0.60500
7	0.40000	0.96800	0.39500
8	0.10000	0.46800	0.10500
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9	0.90000	0.96800	0.10500
10	0.60000	0.46800	0.39500
11	0.10000	0.03200	0.60500
12	0.40000	0.53200	0.89500
13	0.10000	0.03200	0.89500
14	0.40000	0.53200	0.60500
15	0.90000	0.96800	0.39500
16	0.60000	0.46800	0.10500

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.154	0.114	0.07	16	m_x,m_y,m_z	3.49(2)	0.0	0.0	3.49
Mn2	Mn	0.38	0.137	0.75	8	0,0,m_z	0.0	0.0	0.0	0.00

label	dim. small irrep	dim. full irrep	action
mX2+	1	1	primary

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