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	{ -1 \| 1/2 0 0 }
(1/2,1/2,0) + set click here to show and hide
3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
(0,1/2,0)' + set click here to show and hide
5	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
6	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
(1/2,0,0)' + set click here to show and hide
7	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
8	-x,-y,-z,-1	{ -1' \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.24650	0.27565	0.74600	0.9197	8	m_x,m_y,m_z	-1.323(7)	1.156(6)	1.657(9)	2.42
Mn1_2	Mn	0.00350	0.52565	0.75400	0.9197	8	m_x,m_y,m_z	-1.323	1.156	1.657	2.42
Co2_1	Co	0.25000	0.00000	0.50000	0.8394	4	m_x,m_y,m_z	0.0	2.41(1)	0.0	2.41
Co2_2	Co	0.00000	0.25000	0.00000	0.8394	4	m_x,m_y,m_z	0.0	-2.41	0.0	2.41
Re1_1	Re	0.25000	0.00000	0.00000	1.	4	m_x,m_y,m_z	0.0	-0.804(6)	0.0	0.80
Re1_2	Re	0.00000	0.25000	0.50000	1.	4	m_x,m_y,m_z	0.0	-0.804	0.0	0.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Co1_1	Co	0.24650	0.27565	0.74600	0.0803	8
Co1_2	Co	0.00350	0.52565	0.75400	0.0803	8
Mn2_1	Mn	0.25000	0.00000	0.50000	0.1606	4
Mn2_2	Mn	0.00000	0.25000	0.00000	0.1606	4
O1_1	O	0.17095	0.15215	0.92960	0.94	8
O1_2	O	0.07905	0.40215	0.57040	0.94	8
O2_1	O	0.15530	0.15980	0.55740	0.985	8
O2_2	O	0.09470	0.40980	0.94260	0.985	8
O3_1	O	0.44015	0.21665	0.73780	0.965	8
O3_2	O	0.80985	0.46665	0.76220	0.965	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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24650	0.27565	0.74600	m_x,m_y,m_z	-1.32300	1.15600	1.65700
2	0.25350	0.72435	0.25400	m_x,m_y,m_z	-1.32300	1.15600	1.65700
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3	0.74650	0.77565	0.74600	m_x,m_y,m_z	-1.32300	1.15600	1.65700
4	0.75350	0.22435	0.25400	m_x,m_y,m_z	-1.32300	1.15600	1.65700
(0,1/2,0)' + set click here to show and hide
5	0.24650	0.77565	0.74600	-m_x,-m_y,-m_z	1.32300	-1.15600	-1.65700
6	0.25350	0.22435	0.25400	-m_x,-m_y,-m_z	1.32300	-1.15600	-1.65700
(1/2,0,0)' + set click here to show and hide
7	0.74650	0.27565	0.74600	-m_x,-m_y,-m_z	1.32300	-1.15600	-1.65700
8	0.75350	0.72435	0.25400	-m_x,-m_y,-m_z	1.32300	-1.15600	-1.65700

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00350	0.52565	0.75400	m_x,m_y,m_z	-1.32300	1.15600	1.65700
2	0.49650	0.47435	0.24600	m_x,m_y,m_z	-1.32300	1.15600	1.65700
(1/2,1/2,0) + set click here to show and hide
3	0.50350	0.02565	0.75400	m_x,m_y,m_z	-1.32300	1.15600	1.65700
4	0.99650	0.97435	0.24600	m_x,m_y,m_z	-1.32300	1.15600	1.65700
(0,1/2,0)' + set click here to show and hide
5	0.00350	0.02565	0.75400	-m_x,-m_y,-m_z	1.32300	-1.15600	-1.65700
6	0.49650	0.97435	0.24600	-m_x,-m_y,-m_z	1.32300	-1.15600	-1.65700
(1/2,0,0)' + set click here to show and hide
7	0.50350	0.52565	0.75400	-m_x,-m_y,-m_z	1.32300	-1.15600	-1.65700
8	0.99650	0.47435	0.24600	-m_x,-m_y,-m_z	1.32300	-1.15600	-1.65700

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.50000	m_x,m_y,m_z	0.00000	2.41000	0.00000
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2	0.75000	0.50000	0.50000	m_x,m_y,m_z	0.00000	2.41000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.50000	0.50000	-m_x,-m_y,-m_z	0.00000	-2.41000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.00000	0.50000	-m_x,-m_y,-m_z	0.00000	-2.41000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.00000	m_x,m_y,m_z	0.00000	-2.41000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.75000	0.00000	m_x,m_y,m_z	0.00000	-2.41000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.75000	0.00000	-m_x,-m_y,-m_z	0.00000	2.41000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.25000	0.00000	-m_x,-m_y,-m_z	0.00000	2.41000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Re1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.00000	m_x,m_y,m_z	0.00000	-0.80400	0.00000
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2	0.75000	0.50000	0.00000	m_x,m_y,m_z	0.00000	-0.80400	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	0.80400	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.80400	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Re1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.50000	m_x,m_y,m_z	0.00000	-0.80400	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.75000	0.50000	m_x,m_y,m_z	0.00000	-0.80400	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.75000	0.50000	-m_x,-m_y,-m_z	0.00000	0.80400	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.25000	0.50000	-m_x,-m_y,-m_z	0.00000	0.80400	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Co1_1:

Atom	x	y	z
1	0.24650	0.27565	0.74600
2	0.25350	0.72435	0.25400
(1/2,1/2,0) + set click here to show and hide
3	0.74650	0.77565	0.74600
4	0.75350	0.22435	0.25400
(0,1/2,0)' + set click here to show and hide
5	0.24650	0.77565	0.74600
6	0.25350	0.22435	0.25400
(1/2,0,0)' + set click here to show and hide
7	0.74650	0.27565	0.74600
8	0.75350	0.72435	0.25400

Set of atoms in the unit cell related by symmetry with the atom Co1_2:

Atom	x	y	z
1	0.00350	0.52565	0.75400
2	0.49650	0.47435	0.24600
(1/2,1/2,0) + set click here to show and hide
3	0.50350	0.02565	0.75400
4	0.99650	0.97435	0.24600
(0,1/2,0)' + set click here to show and hide
5	0.00350	0.02565	0.75400
6	0.49650	0.97435	0.24600
(1/2,0,0)' + set click here to show and hide
7	0.50350	0.52565	0.75400
8	0.99650	0.47435	0.24600

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

Atom	x	y	z
1	0.25000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.50000	0.50000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.50000	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.00000	0.50000

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

Atom	x	y	z
1	0.00000	0.25000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.75000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.75000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.25000	0.00000

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

Atom	x	y	z
1	0.17095	0.15215	0.92960
2	0.32905	0.84785	0.07040
(1/2,1/2,0) + set click here to show and hide
3	0.67095	0.65215	0.92960
4	0.82905	0.34785	0.07040
(0,1/2,0)' + set click here to show and hide
5	0.17095	0.65215	0.92960
6	0.32905	0.34785	0.07040
(1/2,0,0)' + set click here to show and hide
7	0.67095	0.15215	0.92960
8	0.82905	0.84785	0.07040

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

Atom	x	y	z
1	0.07905	0.40215	0.57040
2	0.42095	0.59785	0.42960
(1/2,1/2,0) + set click here to show and hide
3	0.57905	0.90215	0.57040
4	0.92095	0.09785	0.42960
(0,1/2,0)' + set click here to show and hide
5	0.07905	0.90215	0.57040
6	0.42095	0.09785	0.42960
(1/2,0,0)' + set click here to show and hide
7	0.57905	0.40215	0.57040
8	0.92095	0.59785	0.42960

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

Atom	x	y	z
1	0.15530	0.15980	0.55740
2	0.34470	0.84020	0.44260
(1/2,1/2,0) + set click here to show and hide
3	0.65530	0.65980	0.55740
4	0.84470	0.34020	0.44260
(0,1/2,0)' + set click here to show and hide
5	0.15530	0.65980	0.55740
6	0.34470	0.34020	0.44260
(1/2,0,0)' + set click here to show and hide
7	0.65530	0.15980	0.55740
8	0.84470	0.84020	0.44260

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

Atom	x	y	z
1	0.09470	0.40980	0.94260
2	0.40530	0.59020	0.05740
(1/2,1/2,0) + set click here to show and hide
3	0.59470	0.90980	0.94260
4	0.90530	0.09020	0.05740
(0,1/2,0)' + set click here to show and hide
5	0.09470	0.90980	0.94260
6	0.40530	0.09020	0.05740
(1/2,0,0)' + set click here to show and hide
7	0.59470	0.40980	0.94260
8	0.90530	0.59020	0.05740

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

Atom	x	y	z
1	0.44015	0.21665	0.73780
2	0.05985	0.78335	0.26220
(1/2,1/2,0) + set click here to show and hide
3	0.94015	0.71665	0.73780
4	0.55985	0.28335	0.26220
(0,1/2,0)' + set click here to show and hide
5	0.44015	0.71665	0.73780
6	0.05985	0.28335	0.26220
(1/2,0,0)' + set click here to show and hide
7	0.94015	0.21665	0.73780
8	0.55985	0.78335	0.26220

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

Atom	x	y	z
1	0.80985	0.46665	0.76220
2	0.69015	0.53335	0.23780
(1/2,1/2,0) + set click here to show and hide
3	0.30985	0.96665	0.76220
4	0.19015	0.03335	0.23780
(0,1/2,0)' + set click here to show and hide
5	0.80985	0.96665	0.76220
6	0.69015	0.03335	0.23780
(1/2,0,0)' + set click here to show and hide
7	0.30985	0.46665	0.76220
8	0.19015	0.53335	0.23780

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.24650	0.27565	0.74600	0.9197	8	m_x,m_y,m_z	-1.323(7)	1.156(6)	1.657(9)	2.42
Mn1_2	Mn	0.00350	0.52565	0.75400	0.9197	8	m_x,m_y,m_z	-1.323	1.156	1.657	2.42
Co2_1	Co	0.25000	0.00000	0.50000	0.8394	4	m_x,m_y,m_z	0.0	2.41(1)	0.0	2.41
Co2_2	Co	0.00000	0.25000	0.00000	0.8394	4	m_x,m_y,m_z	0.0	-2.41	0.0	2.41
Re1_1	Re	0.25000	0.00000	0.00000	1.	4	m_x,m_y,m_z	0.0	-0.804(6)	0.0	0.80
Re1_2	Re	0.00000	0.25000	0.50000	1.	4	m_x,m_y,m_z	0.0	-0.804	0.0	0.80

[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: