MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x+1/2,-y,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+1/2,y,z,+1	{ m₁₀₀ \| 1/2 0 0 }
5	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
6	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
7	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
8	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }

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
5	-x,y,-z,-1	2'₀₁₀
6	-x,-y,z,-1	2'₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er2_1	Er	0.25000	0.75000	0.35828	1.00000	2	M_x,0,0	-5.02	0.0	0.0	5.02
Er2_2	Er	0.25000	0.75000	0.85828	1.00000	2	M_x,0,0	-5.02	0.0	0.0	5.02
Mn2_1	Mn	0.25000	0.25000	0.87940	0.76120	2	M_x,0,0	-3.23	0.0	0.0	3.23
Mn2_2	Mn	0.25000	0.25000	0.37940	0.76120	2	M_x,0,0	-3.23	0.0	0.0	3.23
Mn3_1	Mn	0.00000	0.00000	0.00000	1.00000	4	M_x,M_y,M_z	1.91	2.28	-0.93	3.12
Mn3_2	Mn	0.00000	0.00000	0.50000	1.00000	4	M_x,M_y,M_z	1.91	-2.28	0.93	3.12
Mn4	Mn	0.50000	0.50000	0.25000	1.00000	8	M_x,M_y,M_z	2.7	0.0	0.0	2.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Er1_1	Er	0.25000	0.75000	0.61077	1.00000	2
Er1_2	Er	0.25000	0.75000	0.11077	1.00000	2
Cu1_1	Cu	0.25000	0.25000	0.63461	0.76120	2
Mn1_1	Mn	0.25000	0.25000	0.63461	0.23880	2
Cu1_2	Cu	0.25000	0.25000	0.13461	0.76120	2
Mn1_2	Mn	0.25000	0.25000	0.13461	0.23880	2
Cu2_1	Cu	0.25000	0.25000	0.87940	0.23880	2
Cu2_2	Cu	0.25000	0.25000	0.37940	0.23880	2
O1	O	0.43760	0.06120	0.13346	1.00000	8
O2	O	0.43760	0.06120	0.63346	1.00000	8
O3	O	0.25000	0.55871	-0.02065	1.00000	4
O4	O	0.25000	0.55871	0.47935	1.00000	4
O5	O	0.03348	0.25000	-0.03912	1.00000	4
O6	O	0.03348	0.25000	0.46088	1.00000	4
O7	O	0.25000	0.03428	0.79061	1.00000	4
O8	O	0.25000	0.03428	0.29061	1.00000	4
O9	O	-0.06471	0.25000	0.77072	1.00000	4
O10	O	-0.06471	0.25000	0.27072	1.00000	4

[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 Er2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.35828	m_x,0,0	-5.02000	0.00000	0.00000
2	0.75000	0.25000	0.64172	m_x,0,0	-5.02000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Er2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.85828	m_x,0,0	-5.02000	0.00000	0.00000
2	0.75000	0.25000	0.14172	m_x,0,0	-5.02000	0.00000	0.00000

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	0.25000	0.25000	0.87940	m_x,0,0	-3.23000	0.00000	0.00000
2	0.75000	0.75000	0.12060	m_x,0,0	-3.23000	0.00000	0.00000

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	0.25000	0.25000	0.37940	m_x,0,0	-3.23000	0.00000	0.00000
2	0.75000	0.75000	0.62060	m_x,0,0	-3.23000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3_1:

Atom	x	y	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	m_x,m_y,m_z	1.91000	2.28000	-0.93000
2	0.50000	0.00000	m_x,-m_y,-m_z	1.91000	-2.28000	0.93000
3	0.00000	0.50000	m_x,-m_y,m_z	1.91000	-2.28000	-0.93000
4	0.50000	0.50000	m_x,m_y,-m_z	1.91000	2.28000	0.93000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	1.91000	-2.28000	0.93000
2	0.50000	0.00000	0.50000	m_x,-m_y,-m_z	1.91000	2.28000	-0.93000
3	0.00000	0.50000	0.50000	m_x,-m_y,m_z	1.91000	2.28000	0.93000
4	0.50000	0.50000	0.50000	m_x,m_y,-m_z	1.91000	-2.28000	-0.93000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn4:

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.50000	0.50000	0.25000	m_x,m_y,m_z	2.70000
2	0.00000	0.50000	0.75000	m_x,-m_y,-m_z	2.70000
3	0.50000	0.50000	0.75000	m_x,m_y,m_z	2.70000
4	0.00000	0.50000	0.25000	m_x,-m_y,-m_z	2.70000
5	0.50000	0.00000	0.75000	m_x,-m_y,m_z	2.70000
6	0.00000	0.00000	0.25000	m_x,m_y,-m_z	2.70000
7	0.50000	0.00000	0.25000	m_x,-m_y,m_z	2.70000
8	0.00000	0.00000	0.75000	m_x,m_y,-m_z	2.70000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Er1_1:

Atom	x	y	z
1	0.25000	0.75000	0.61077
2	0.75000	0.25000	0.38923

Set of atoms in the unit cell related by symmetry with the atom Er1_2:

Atom	x	y	z
1	0.25000	0.75000	0.11077
2	0.75000	0.25000	0.88923

Set of atoms in the unit cell related by symmetry with the atom Cu1_1:

Atom	x	y	z
1	0.25000	0.25000	0.63461
2	0.75000	0.75000	0.36539

Set of atoms in the unit cell related by symmetry with the atom Mn1_1:

Atom	x	y	z
1	0.25000	0.25000	0.63461
2	0.75000	0.75000	0.36539

Set of atoms in the unit cell related by symmetry with the atom Cu1_2:

Atom	x	y	z
1	0.25000	0.25000	0.13461
2	0.75000	0.75000	0.86539

Set of atoms in the unit cell related by symmetry with the atom Mn1_2:

Atom	x	y	z
1	0.25000	0.25000	0.13461
2	0.75000	0.75000	0.86539

Set of atoms in the unit cell related by symmetry with the atom Cu2_1:

Atom	x	y	z
1	0.25000	0.25000	0.87940
2	0.75000	0.75000	0.12060

Set of atoms in the unit cell related by symmetry with the atom Cu2_2:

Atom	x	y	z
1	0.25000	0.25000	0.37940
2	0.75000	0.75000	0.62060

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

Atom	x	y	z
1	0.43760	0.06120	0.13346
2	0.93760	0.93880	0.86654
3	0.56240	0.93880	0.86654
4	0.06240	0.06120	0.13346
5	0.56240	0.56120	0.86654
6	0.06240	0.43880	0.13346
7	0.43760	0.43880	0.13346
8	0.93760	0.56120	0.86654

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

Atom	x	y	z
1	0.43760	0.06120	0.63346
2	0.93760	0.93880	0.36654
3	0.56240	0.93880	0.36654
4	0.06240	0.06120	0.63346
5	0.56240	0.56120	0.36654
6	0.06240	0.43880	0.63346
7	0.43760	0.43880	0.63346
8	0.93760	0.56120	0.36654

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

Atom	x	y	z
1	0.25000	0.55871	0.97935
2	0.75000	0.44129	0.02065
3	0.75000	0.05871	0.02065
4	0.25000	0.94129	0.97935

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

Atom	x	y	z
1	0.25000	0.55871	0.47935
2	0.75000	0.44129	0.52065
3	0.75000	0.05871	0.52065
4	0.25000	0.94129	0.47935

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.03348	0.25000	0.96088
2	0.53348	0.75000	0.03912
3	0.96652	0.75000	0.03912
4	0.46652	0.25000	0.96088

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.03348	0.25000	0.46088
2	0.53348	0.75000	0.53912
3	0.96652	0.75000	0.53912
4	0.46652	0.25000	0.46088

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.25000	0.03428	0.79061
2	0.75000	0.96572	0.20939
3	0.75000	0.53428	0.20939
4	0.25000	0.46572	0.79061

Set of atoms in the unit cell related by symmetry with the atom O8:

Atom	x	y	z
1	0.25000	0.03428	0.29061
2	0.75000	0.96572	0.70939
3	0.75000	0.53428	0.70939
4	0.25000	0.46572	0.29061

Set of atoms in the unit cell related by symmetry with the atom O9:

Atom	x	y	z
1	0.93529	0.25000	0.77072
2	0.43529	0.75000	0.22928
3	0.06471	0.75000	0.22928
4	0.56471	0.25000	0.77072

Set of atoms in the unit cell related by symmetry with the atom O10:

Atom	x	y	z
1	0.93529	0.25000	0.27072
2	0.43529	0.75000	0.72928
3	0.06471	0.75000	0.72928
4	0.56471	0.25000	0.27072

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er2_1	Er	0.25000	0.75000	0.35828	1.00000	2	M_x,0,0	-5.02	0.0	0.0	5.02
Er2_2	Er	0.25000	0.75000	0.85828	1.00000	2	M_x,0,0	-5.02	0.0	0.0	5.02
Mn2_1	Mn	0.25000	0.25000	0.87940	0.76120	2	M_x,0,0	-3.23	0.0	0.0	3.23
Mn2_2	Mn	0.25000	0.25000	0.37940	0.76120	2	M_x,0,0	-3.23	0.0	0.0	3.23
Mn3_1	Mn	0.00000	0.00000	0.00000	1.00000	4	M_x,M_y,M_z	1.91	2.28	-0.93	3.12
Mn3_2	Mn	0.00000	0.00000	0.50000	1.00000	4	M_x,M_y,M_z	1.91	-2.28	0.93	3.12
Mn4	Mn	0.50000	0.50000	0.25000	1.00000	8	M_x,M_y,M_z	2.7	0.0	0.0	2.70

[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: