MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+3/4,y+1/2,-z,+1	{ 2₀₁₀ \| 3/4 1/2 0 }
3	x,y,-z,+1	{ m₀₀₁ \| 0 }
4	-x+3/4,y+1/2,z,+1	{ m₁₀₀ \| 3/4 1/2 0 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/4,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/4 1/2 0 }
7	x+1/2,y,-z,-1	{ m'₀₀₁ \| 1/2 0 0 }
8	-x+1/4,y+1/2,z,-1	{ m'₁₀₀ \| 1/4 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	x,y,-z,+1	m₀₀₁
4	-x,y,z,+1	m₁₀₀
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5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	x,y,-z,-1	m'₀₀₁
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Sm1_1	Sm	0.07065	0.17200	0.00000	4	0,0,m_z	0.43	0.43
Sm1_2	Sm	0.92935	0.82800	0.00000	4	0,0,m_z	-0.43	0.43
Mn1	Mn	0.00000	0.50000	0.26400	8	m_x,m_y,m_z	1.6	1.60
Mn2_1	Mn	0.20545	0.35050	0.50000	4	0,0,m_z	-3.	3.00
Mn2_2	Mn	0.79455	0.64950	0.50000	4	0,0,m_z	-3.	3.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.00000	0.00000	0.29880	8
O2_1	O	0.08270	0.44600	0.00000	4
O2_2	O	0.91730	0.55400	0.00000	4
O3_1	O	0.07340	0.43070	0.50000	4
O3_2	O	0.92660	0.56930	0.50000	4
O4_1	O	0.20210	0.20410	0.25830	8
O4_2	O	0.79790	0.79590	0.25830	8

[Show all atoms in unit cell and their moment relations]

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 Sm1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.07065	0.17200	0.00000	0,0,m_z	0.00000	0.00000	0.43000
2	0.67935	0.67200	0.00000	0,0,-m_z	0.00000	0.00000	-0.43000
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3	0.57065	0.17200	0.00000	0,0,-m_z	0.00000	0.00000	-0.43000
4	0.17935	0.67200	0.00000	0,0,m_z	0.00000	0.00000	0.43000

Set of atoms in the unit cell related by symmetry with the magnetic atom Sm1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.92935	0.82800	0.00000	0,0,m_z	0.00000	0.00000	-0.43000
2	0.82065	0.32800	0.00000	0,0,-m_z	0.00000	0.00000	0.43000
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3	0.42935	0.82800	0.00000	0,0,-m_z	0.00000	0.00000	0.43000
4	0.32065	0.32800	0.00000	0,0,m_z	0.00000	0.00000	-0.43000

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	0.00000	0.50000	0.26400	m_x,m_y,m_z	0.00000	0.00000	1.60000
2	0.75000	0.00000	0.73600	-m_x,m_y,-m_z	0.00000	0.00000	-1.60000
3	0.00000	0.50000	0.73600	-m_x,-m_y,m_z	0.00000	0.00000	1.60000
4	0.75000	0.00000	0.26400	m_x,-m_y,-m_z	0.00000	0.00000	-1.60000
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5	0.50000	0.50000	0.26400	-m_x,-m_y,-m_z	0.00000	0.00000	-1.60000
6	0.25000	0.00000	0.73600	m_x,-m_y,m_z	0.00000	0.00000	1.60000
7	0.50000	0.50000	0.73600	m_x,m_y,-m_z	0.00000	0.00000	-1.60000
8	0.25000	0.00000	0.26400	-m_x,m_y,m_z	0.00000	0.00000	1.60000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.20545	0.35050	0.50000	0,0,m_z	0.00000	0.00000	-3.00000
2	0.54455	0.85050	0.50000	0,0,-m_z	0.00000	0.00000	3.00000
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3	0.70545	0.35050	0.50000	0,0,-m_z	0.00000	0.00000	3.00000
4	0.04455	0.85050	0.50000	0,0,m_z	0.00000	0.00000	-3.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.79455	0.64950	0.50000	0,0,m_z	0.00000	0.00000	-3.00000
2	0.95545	0.14950	0.50000	0,0,-m_z	0.00000	0.00000	3.00000
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3	0.29455	0.64950	0.50000	0,0,-m_z	0.00000	0.00000	3.00000
4	0.45545	0.14950	0.50000	0,0,m_z	0.00000	0.00000	-3.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.29880
2	0.75000	0.50000	0.70120
3	0.00000	0.00000	0.70120
4	0.75000	0.50000	0.29880
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5	0.50000	0.00000	0.29880
6	0.25000	0.50000	0.70120
7	0.50000	0.00000	0.70120
8	0.25000	0.50000	0.29880

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.08270	0.44600	0.00000
2	0.66730	0.94600	0.00000
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3	0.58270	0.44600	0.00000
4	0.16730	0.94600	0.00000

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.91730	0.55400	0.00000
2	0.83270	0.05400	0.00000
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3	0.41730	0.55400	0.00000
4	0.33270	0.05400	0.00000

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

Atom	x	y	z
1	0.07340	0.43070	0.50000
2	0.67660	0.93070	0.50000
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3	0.57340	0.43070	0.50000
4	0.17660	0.93070	0.50000

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

Atom	x	y	z
1	0.92660	0.56930	0.50000
2	0.82340	0.06930	0.50000
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3	0.42660	0.56930	0.50000
4	0.32340	0.06930	0.50000

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.20210	0.20410	0.25830
2	0.54790	0.70410	0.74170
3	0.20210	0.20410	0.74170
4	0.54790	0.70410	0.25830
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5	0.70210	0.20410	0.25830
6	0.04790	0.70410	0.74170
7	0.70210	0.20410	0.74170
8	0.04790	0.70410	0.25830

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.79790	0.79590	0.25830
2	0.95210	0.29590	0.74170
3	0.79790	0.79590	0.74170
4	0.95210	0.29590	0.25830
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5	0.29790	0.79590	0.25830
6	0.45210	0.29590	0.74170
7	0.29790	0.79590	0.74170
8	0.45210	0.29590	0.25830

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Sm1_1	Sm	0.07065	0.17200	0.00000	4	0,0,m_z	0.43	0.43
Sm1_2	Sm	0.92935	0.82800	0.00000	4	0,0,m_z	-0.43	0.43
Mn1	Mn	0.00000	0.50000	0.26400	8	m_x,m_y,m_z	1.6	1.60
Mn2_1	Mn	0.20545	0.35050	0.50000	4	0,0,m_z	-3.	3.00
Mn2_2	Mn	0.79455	0.64950	0.50000	4	0,0,m_z	-3.	3.00

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: