MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/4,-y,z+1/2,+1	{ 2₀₀₁ \| 1/4 0 1/2 }
3	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
4	-x+1/4,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/4 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+3/4,-y,z+1/2,-1	{ 2'₀₀₁ \| 3/4 0 1/2 }
7	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
8	-x+3/4,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 3/4 1/2 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	x,-y,z,+1	m₀₁₀
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Tm1_1	Tm	0.04250	0.25000	0.98200	4	0,m_y,0	0.0	0.00
Tm1_2	Tm	0.95750	0.75000	0.01800	4	0,m_y,0	0.0	0.00
Mn1	Mn	0.00000	0.00000	0.50000	8	m_x,m_y,m_z	3.75	3.75

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.23400	0.25000	0.11100	4
O1_2	O	0.76600	0.75000	0.88900	4
O2_1	O	0.16300	0.05600	0.70400	8
O2_2	O	0.83700	0.55600	0.29600	8

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 Tm1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.04250	0.25000	0.98200	0,m_y,0	0.00000	0.00000	0.00000
2	0.20750	0.75000	0.48200	0,-m_y,0	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.54250	0.25000	0.98200	0,-m_y,0	0.00000	0.00000	0.00000
4	0.70750	0.75000	0.48200	0,m_y,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tm1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.95750	0.75000	0.01800	0,m_y,0	0.00000	0.00000	0.00000
2	0.29250	0.25000	0.51800	0,-m_y,0	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.45750	0.75000	0.01800	0,-m_y,0	0.00000	0.00000	0.00000
4	0.79250	0.25000	0.51800	0,m_y,0	0.00000	0.00000	0.00000

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	0.00000	0.50000	m_x,m_y,m_z	3.75000	0.00000	0.00000
2	0.25000	0.00000	0.00000	-m_x,-m_y,m_z	-3.75000	0.00000	0.00000
3	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-3.75000	0.00000	0.00000
4	0.25000	0.50000	0.00000	m_x,-m_y,-m_z	3.75000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.50000	-m_x,-m_y,-m_z	-3.75000	0.00000	0.00000
6	0.75000	0.00000	0.00000	m_x,m_y,-m_z	3.75000	0.00000	0.00000
7	0.50000	0.50000	0.50000	m_x,-m_y,m_z	3.75000	0.00000	0.00000
8	0.75000	0.50000	0.00000	-m_x,m_y,m_z	-3.75000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.23400	0.25000	0.11100
2	0.01600	0.75000	0.61100
(1/2,0,0)' + set click here to show and hide
3	0.73400	0.25000	0.11100
4	0.51600	0.75000	0.61100

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

Atom	x	y	z
1	0.76600	0.75000	0.88900
2	0.48400	0.25000	0.38900
(1/2,0,0)' + set click here to show and hide
3	0.26600	0.75000	0.88900
4	0.98400	0.25000	0.38900

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

Atom	x	y	z
1	0.16300	0.05600	0.70400
2	0.08700	0.94400	0.20400
3	0.16300	0.44400	0.70400
4	0.08700	0.55600	0.20400
(1/2,0,0)' + set click here to show and hide
5	0.66300	0.05600	0.70400
6	0.58700	0.94400	0.20400
7	0.66300	0.44400	0.70400
8	0.58700	0.55600	0.20400

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

Atom	x	y	z
1	0.83700	0.55600	0.29600
2	0.41300	0.44400	0.79600
3	0.83700	0.94400	0.29600
4	0.41300	0.05600	0.79600
(1/2,0,0)' + set click here to show and hide
5	0.33700	0.55600	0.29600
6	0.91300	0.44400	0.79600
7	0.33700	0.94400	0.29600
8	0.91300	0.05600	0.79600

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Tm1_1	Tm	0.04250	0.25000	0.98200	4	0,m_y,0	0.0	0.00
Tm1_2	Tm	0.95750	0.75000	0.01800	4	0,m_y,0	0.0	0.00
Mn1	Mn	0.00000	0.00000	0.50000	8	m_x,m_y,m_z	3.75	3.75

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX1	2	2	special	primary	5

MAGNDATA: A Collection of magnetic structures with portable cif-type files