MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
3	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
4	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,y,-z,-1	2'₀₁₀
4	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1_1	Er	0.00000	0.61077	0.25000	1.00000	2	M_x,0,M_z	3.96	0.0	0.0	3.96
Er1_2	Er	0.00000	0.11077	0.25000	1.00000	2	M_x,0,M_z	-3.96	0.0	0.0	3.96
Er2_1	Er	0.00000	0.35828	0.25000	1.00000	2	M_x,0,M_z	-7.31	0.0	-10.37	7.36
Er2_2	Er	0.00000	0.85828	0.25000	1.00000	2	M_x,0,M_z	-7.31	0.0	-10.37	7.36
Mn2_1	Mn	0.50000	0.87940	0.25000	0.76120	2	M_x,0,M_z	-3.21	0.0	-4.55	3.23
Mn2_2	Mn	0.50000	0.37940	0.25000	0.76120	2	M_x,0,M_z	-3.21	0.0	-4.55	3.23
Mn3_1	Mn	0.00000	0.00000	0.00000	1.00000	2	M_x,M_y,M_z	4.18	-0.93	2.7	3.12
Mn3_2	Mn	0.00000	0.50000	0.00000	1.00000	2	M_x,M_y,M_z	-0.38	0.93	2.7	3.12
Mn3_3	Mn	0.50000	0.00000	0.00000	1.00000	2	M_x,M_y,M_z	-0.38	-0.93	2.7	3.12
Mn3_4	Mn	0.50000	0.50000	0.00000	1.00000	2	M_x,M_y,M_z	4.18	0.93	2.7	3.12
Mn4_1	Mn	0.00000	0.25000	0.50000	1.00000	4	M_x,M_y,M_z	2.69	0.0	3.81	2.70
Mn4_2	Mn	0.50000	0.25000	0.50000	1.00000	4	M_x,M_y,M_z	2.69	0.0	3.81	2.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Cu1_1	Cu	0.50000	0.63461	0.25000	0.76120	2
Mn1_1	Mn	0.50000	0.63461	0.25000	0.23880	2
Cu1_2	Cu	0.50000	0.13461	0.25000	0.76120	2
Mn1_2	Mn	0.50000	0.13461	0.25000	0.23880	2
Cu2_1	Cu	0.50000	0.87940	0.25000	0.23880	2
Cu2_2	Cu	0.50000	0.37940	0.25000	0.23880	2
O1	O	0.49880	0.13346	0.43760	1.00000	4
O2	O	0.12360	0.86654	0.56240	1.00000	4
O3	O	0.49880	0.63346	0.43760	1.00000	4
O4	O	0.12360	0.36654	0.56240	1.00000	4
O5	O	0.19129	0.02065	0.75000	1.00000	4
O6	O	0.19129	0.52065	0.75000	1.00000	4
O7	O	0.28348	-0.03912	0.03348	1.00000	4
O8	O	0.28348	0.46088	0.03348	1.00000	4
O9	O	0.71572	0.20939	0.75000	1.00000	4
O10	O	0.71572	0.70939	0.75000	1.00000	4
O11	O	0.18529	0.77072	-0.06471	1.00000	4
O12	O	0.18529	0.27072	-0.06471	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 Er1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.61077	0.25000	m_x,0,m_z	3.96000	0.00000	0.00000
2	0.00000	0.38923	0.75000	m_x,0,m_z	3.96000	0.00000	0.00000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.11077	0.25000	m_x,0,m_z	-3.96000	0.00000	0.00000
2	0.00000	0.88923	0.75000	m_x,0,m_z	-3.96000	0.00000	0.00000

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	0.00000	0.35828	0.25000	m_x,0,m_z	-7.31000	0.00000	-10.37000
2	0.00000	0.64172	0.75000	m_x,0,m_z	-7.31000	0.00000	-10.37000

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	0.00000	0.85828	0.25000	m_x,0,m_z	-7.31000	0.00000	-10.37000
2	0.00000	0.14172	0.75000	m_x,0,m_z	-7.31000	0.00000	-10.37000

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	0.50000	0.87940	0.25000	m_x,0,m_z	-3.21000	0.00000	-4.55000
2	0.50000	0.12060	0.75000	m_x,0,m_z	-3.21000	0.00000	-4.55000

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	0.50000	0.37940	0.25000	m_x,0,m_z	-3.21000	0.00000	-4.55000
2	0.50000	0.62060	0.75000	m_x,0,m_z	-3.21000	0.00000	-4.55000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	4.18000	-0.93000	2.70000
2	0.00000	0.00000	0.50000	m_x,-m_y,m_z	4.18000	0.93000	2.70000

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	0.50000	0.00000	m_x,m_y,m_z	-0.38000	0.93000	2.70000
2	0.00000	0.50000	0.50000	m_x,-m_y,m_z	-0.38000	-0.93000	2.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	-0.38000	-0.93000	2.70000
2	0.50000	0.00000	0.50000	m_x,-m_y,m_z	-0.38000	0.93000	2.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.00000	m_x,m_y,m_z	4.18000	0.93000	2.70000
2	0.50000	0.50000	0.50000	m_x,-m_y,m_z	4.18000	-0.93000	2.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn4_1:

Atom	y	z	Symmetry constraints on M	M_x	M_z
1	0.25000	0.50000	m_x,m_y,m_z	2.69000	3.81000
2	0.75000	0.50000	m_x,m_y,m_z	2.69000	3.81000
3	0.25000	0.00000	m_x,-m_y,m_z	2.69000	3.81000
4	0.75000	0.00000	m_x,-m_y,m_z	2.69000	3.81000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn4_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.50000	0.25000	0.50000	m_x,m_y,m_z	2.69000	3.81000
2	0.50000	0.75000	0.50000	m_x,m_y,m_z	2.69000	3.81000
3	0.50000	0.25000	0.00000	m_x,-m_y,m_z	2.69000	3.81000
4	0.50000	0.75000	0.00000	m_x,-m_y,m_z	2.69000	3.81000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.50000	0.63461	0.25000
2	0.50000	0.36539	0.75000

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

Atom	x	y	z
1	0.50000	0.63461	0.25000
2	0.50000	0.36539	0.75000

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

Atom	x	y	z
1	0.50000	0.13461	0.25000
2	0.50000	0.86539	0.75000

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

Atom	x	y	z
1	0.50000	0.13461	0.25000
2	0.50000	0.86539	0.75000

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

Atom	x	y	z
1	0.50000	0.87940	0.25000
2	0.50000	0.12060	0.75000

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

Atom	x	y	z
1	0.50000	0.37940	0.25000
2	0.50000	0.62060	0.75000

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

Atom	x	y	z
1	0.49880	0.13346	0.43760
2	0.50120	0.86654	0.56240
3	0.50120	0.13346	0.06240
4	0.49880	0.86654	0.93760

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

Atom	x	y	z
1	0.12360	0.86654	0.56240
2	0.87640	0.13346	0.43760
3	0.87640	0.86654	0.93760
4	0.12360	0.13346	0.06240

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

Atom	x	y	z
1	0.49880	0.63346	0.43760
2	0.50120	0.36654	0.56240
3	0.50120	0.63346	0.06240
4	0.49880	0.36654	0.93760

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

Atom	x	y	z
1	0.12360	0.36654	0.56240
2	0.87640	0.63346	0.43760
3	0.87640	0.36654	0.93760
4	0.12360	0.63346	0.06240

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

Atom	x	y	z
1	0.19129	0.02065	0.75000
2	0.80871	0.97935	0.25000
3	0.80871	0.02065	0.75000
4	0.19129	0.97935	0.25000

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

Atom	x	y	z
1	0.19129	0.52065	0.75000
2	0.80871	0.47935	0.25000
3	0.80871	0.52065	0.75000
4	0.19129	0.47935	0.25000

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

Atom	x	y	z
1	0.28348	0.96088	0.03348
2	0.71652	0.03912	0.96652
3	0.71652	0.96088	0.46652
4	0.28348	0.03912	0.53348

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

Atom	x	y	z
1	0.28348	0.46088	0.03348
2	0.71652	0.53912	0.96652
3	0.71652	0.46088	0.46652
4	0.28348	0.53912	0.53348

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

Atom	x	y	z
1	0.71572	0.20939	0.75000
2	0.28428	0.79061	0.25000
3	0.28428	0.20939	0.75000
4	0.71572	0.79061	0.25000

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

Atom	x	y	z
1	0.71572	0.70939	0.75000
2	0.28428	0.29061	0.25000
3	0.28428	0.70939	0.75000
4	0.71572	0.29061	0.25000

Set of atoms in the unit cell related by symmetry with the atom O11:

Atom	x	y	z
1	0.18529	0.77072	0.93529
2	0.81471	0.22928	0.06471
3	0.81471	0.77072	0.56471
4	0.18529	0.22928	0.43529

Set of atoms in the unit cell related by symmetry with the atom O12:

Atom	x	y	z
1	0.18529	0.27072	0.93529
2	0.81471	0.72928	0.06471
3	0.81471	0.27072	0.56471
4	0.18529	0.72928	0.43529

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1_1	Er	0.00000	0.61077	0.25000	1.00000	2	M_x,0,M_z	3.96	0.0	0.0	3.96
Er1_2	Er	0.00000	0.11077	0.25000	1.00000	2	M_x,0,M_z	-3.96	0.0	0.0	3.96
Er2_1	Er	0.00000	0.35828	0.25000	1.00000	2	M_x,0,M_z	-7.31	0.0	-10.37	7.36
Er2_2	Er	0.00000	0.85828	0.25000	1.00000	2	M_x,0,M_z	-7.31	0.0	-10.37	7.36
Mn2_1	Mn	0.50000	0.87940	0.25000	0.76120	2	M_x,0,M_z	-3.21	0.0	-4.55	3.23
Mn2_2	Mn	0.50000	0.37940	0.25000	0.76120	2	M_x,0,M_z	-3.21	0.0	-4.55	3.23
Mn3_1	Mn	0.00000	0.00000	0.00000	1.00000	2	M_x,M_y,M_z	4.18	-0.93	2.7	3.12
Mn3_2	Mn	0.00000	0.50000	0.00000	1.00000	2	M_x,M_y,M_z	-0.38	0.93	2.7	3.12
Mn3_3	Mn	0.50000	0.00000	0.00000	1.00000	2	M_x,M_y,M_z	-0.38	-0.93	2.7	3.12
Mn3_4	Mn	0.50000	0.50000	0.00000	1.00000	2	M_x,M_y,M_z	4.18	0.93	2.7	3.12
Mn4_1	Mn	0.00000	0.25000	0.50000	1.00000	4	M_x,M_y,M_z	2.69	0.0	3.81	2.70
Mn4_2	Mn	0.50000	0.25000	0.50000	1.00000	4	M_x,M_y,M_z	2.69	0.0	3.81	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: