MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
3	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
4	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,y,-z,+1	m₀₀₁
3	-x,-y,z,-1	2'₀₀₁
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Ho1_1	Ho	0.2868(9)	0.12500	0.1164(14)	4	m_x,m_y,m_z	7.17(12)	0.82(14)	7.22
Ho1_2	Ho	0.2868(9)	0.62500	0.1164(14)	4	m_x,m_y,m_z	-2.59(12)	2.86(14)	3.86
Ho2_1	Ho	0.0745(5)	0.12500	0.3957(10)	4	m_x,m_y,m_z	1.05(12)	-8.46(17)	8.52
Ho2_2	Ho	0.0745(5)	0.62500	0.3957(10)	4	m_x,m_y,m_z	1.17(12)	-8.32(17)	8.40
Cu1_1	Cu	0.6581(13)	0.12500	0.7077(16)	4	m_x,m_y,m_z	-0.77(11)	0.65(13)	1.01
Cu1_2	Cu	0.6581(13)	0.62500	0.7077(16)	4	m_x,m_y,m_z	0.69(11)	0.17(13)	0.71

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.903(2)	0.12500	0.932(2)	4
Ba1_2	Ba	0.903(2)	0.62500	0.932(2)	4
O1_1	O	0.4350(10)	0.9991(13)	0.1646(12)	4
O1_2	O	0.4350(10)	0.4991(13)	0.1646(12)	4
O1_3	O	0.9350(10)	0.2509(13)	0.3354(12)	4
O1_4	O	0.9350(10)	0.7509(13)	0.3354(12)	4
O2_1	O	0.2275(9)	0.7534(18)	0.351(2)	4
O2_2	O	0.2275(9)	0.2534(18)	0.351(2)	4
O2_3	O	0.7275(9)	0.4966(18)	0.149(2)	4
O2_4	O	0.7275(9)	0.9966(18)	0.149(2)	4
O3_1	O	0.1020(16)	0.12500	0.085(2)	4
O3_2	O	0.1020(16)	0.62500	0.085(2)	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 Ho1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.28680	0.12500	0.11640	m_x,m_y,m_z	7.17000	0.82000
2	0.78680	0.62500	0.38360	-m_x,-m_y,m_z	-7.17000	0.82000
3	0.21320	0.87500	0.61640	m_x,m_y,-m_z	7.17000	-0.82000
4	0.71320	0.37500	0.88360	-m_x,-m_y,-m_z	-7.17000	-0.82000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ho1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.28680	0.62500	0.11640	m_x,m_y,m_z	-2.59000	2.86000
2	0.78680	0.12500	0.38360	-m_x,-m_y,m_z	2.59000	2.86000
3	0.21320	0.37500	0.61640	m_x,m_y,-m_z	-2.59000	-2.86000
4	0.71320	0.87500	0.88360	-m_x,-m_y,-m_z	2.59000	-2.86000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ho2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.07450	0.12500	0.39570	m_x,m_y,m_z	1.05000	-8.46000
2	0.57450	0.62500	0.10430	-m_x,-m_y,m_z	-1.05000	-8.46000
3	0.42550	0.87500	0.89570	m_x,m_y,-m_z	1.05000	8.46000
4	0.92550	0.37500	0.60430	-m_x,-m_y,-m_z	-1.05000	8.46000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ho2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.07450	0.62500	0.39570	m_x,m_y,m_z	1.17000	-8.32000
2	0.57450	0.12500	0.10430	-m_x,-m_y,m_z	-1.17000	-8.32000
3	0.42550	0.37500	0.89570	m_x,m_y,-m_z	1.17000	8.32000
4	0.92550	0.87500	0.60430	-m_x,-m_y,-m_z	-1.17000	8.32000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.65810	0.12500	0.70770	m_x,m_y,m_z	-0.77000	0.65000
2	0.15810	0.62500	0.79230	-m_x,-m_y,m_z	0.77000	0.65000
3	0.84190	0.87500	0.20770	m_x,m_y,-m_z	-0.77000	-0.65000
4	0.34190	0.37500	0.29230	-m_x,-m_y,-m_z	0.77000	-0.65000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.65810	0.62500	0.70770	m_x,m_y,m_z	0.69000	0.17000
2	0.15810	0.12500	0.79230	-m_x,-m_y,m_z	-0.69000	0.17000
3	0.84190	0.37500	0.20770	m_x,m_y,-m_z	0.69000	-0.17000
4	0.34190	0.87500	0.29230	-m_x,-m_y,-m_z	-0.69000	-0.17000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1_1:

Atom	x	y	z
1	0.90300	0.12500	0.93200
2	0.40300	0.62500	0.56800
3	0.59700	0.87500	0.43200
4	0.09700	0.37500	0.06800

Set of atoms in the unit cell related by symmetry with the atom Ba1_2:

Atom	x	y	z
1	0.90300	0.62500	0.93200
2	0.40300	0.12500	0.56800
3	0.59700	0.37500	0.43200
4	0.09700	0.87500	0.06800

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.43500	0.99910	0.16460
2	0.93500	0.49910	0.33540
3	0.06500	0.00090	0.66460
4	0.56500	0.50090	0.83540

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.43500	0.49910	0.16460
2	0.93500	0.99910	0.33540
3	0.06500	0.50090	0.66460
4	0.56500	0.00090	0.83540

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.93500	0.25090	0.33540
2	0.43500	0.75090	0.16460
3	0.56500	0.74910	0.83540
4	0.06500	0.24910	0.66460

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.93500	0.75090	0.33540
2	0.43500	0.25090	0.16460
3	0.56500	0.24910	0.83540
4	0.06500	0.74910	0.66460

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

Atom	x	y	z
1	0.22750	0.75340	0.35100
2	0.72750	0.25340	0.14900
3	0.27250	0.24660	0.85100
4	0.77250	0.74660	0.64900

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

Atom	x	y	z
1	0.22750	0.25340	0.35100
2	0.72750	0.75340	0.14900
3	0.27250	0.74660	0.85100
4	0.77250	0.24660	0.64900

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.72750	0.49660	0.14900
2	0.22750	0.99660	0.35100
3	0.77250	0.50340	0.64900
4	0.27250	0.00340	0.85100

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.72750	0.99660	0.14900
2	0.22750	0.49660	0.35100
3	0.77250	0.00340	0.64900
4	0.27250	0.50340	0.85100

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

Atom	x	y	z
1	0.10200	0.12500	0.08500
2	0.60200	0.62500	0.41500
3	0.39800	0.87500	0.58500
4	0.89800	0.37500	0.91500

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

Atom	x	y	z
1	0.10200	0.62500	0.08500
2	0.60200	0.12500	0.41500
3	0.39800	0.37500	0.58500
4	0.89800	0.87500	0.91500

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Ho1_1	Ho	0.2868(9)	0.12500	0.1164(14)	4	m_x,m_y,m_z	7.17(12)	0.82(14)	7.22
Ho1_2	Ho	0.2868(9)	0.62500	0.1164(14)	4	m_x,m_y,m_z	-2.59(12)	2.86(14)	3.86
Ho2_1	Ho	0.0745(5)	0.12500	0.3957(10)	4	m_x,m_y,m_z	1.05(12)	-8.46(17)	8.52
Ho2_2	Ho	0.0745(5)	0.62500	0.3957(10)	4	m_x,m_y,m_z	1.17(12)	-8.32(17)	8.40
Cu1_1	Cu	0.6581(13)	0.12500	0.7077(16)	4	m_x,m_y,m_z	-0.77(11)	0.65(13)	1.01
Cu1_2	Cu	0.6581(13)	0.62500	0.7077(16)	4	m_x,m_y,m_z	0.69(11)	0.17(13)	0.71

[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: