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,-y,-z,+1	{ -1 \| 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+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 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,-y+1/2,-z,-1	{ -1' \| 0 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+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }

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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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Re1_1	Re	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.8	-1.8	0.0	1.97
Re1_2	Re	0.25000	0.25000	0.50000	4	m_x,m_y,m_z	-0.8	1.8	0.0	1.97

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1_1	K	0.48950	0.24750	0.24100	8
K1_2	K	0.76050	0.49750	0.25900	8
Cl1_1	Cl	0.11200	0.13150	0.98500	8
Cl1_2	Cl	0.13800	0.38150	0.51500	8
Cl2_1	Cl	0.37100	0.10850	0.01300	8
Cl2_2	Cl	0.87900	0.35850	0.48700	8
Cl3_1	Cl	0.01350	0.49550	0.24000	8
Cl3_2	Cl	0.23650	0.74550	0.26000	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 Re1_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	0.80000	-1.80000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	m_x,m_y,m_z	0.80000	-1.80000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	-0.80000	1.80000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-0.80000	1.80000	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	0.25000	0.25000	0.50000	m_x,m_y,m_z	-0.80000	1.80000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.75000	0.50000	m_x,m_y,m_z	-0.80000	1.80000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.50000	-m_x,-m_y,-m_z	0.80000	-1.80000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.25000	0.50000	-m_x,-m_y,-m_z	0.80000	-1.80000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1_1:

Atom	x	y	z
1	0.48950	0.24750	0.24100
2	0.51050	0.75250	0.75900
(1/2,1/2,0) + set click here to show and hide
3	0.98950	0.74750	0.24100
4	0.01050	0.25250	0.75900
(0,1/2,0)' + set click here to show and hide
5	0.48950	0.74750	0.24100
6	0.51050	0.25250	0.75900
(1/2,0,0)' + set click here to show and hide
7	0.98950	0.24750	0.24100
8	0.01050	0.75250	0.75900

Set of atoms in the unit cell related by symmetry with the atom K1_2:

Atom	x	y	z
1	0.76050	0.49750	0.25900
2	0.23950	0.50250	0.74100
(1/2,1/2,0) + set click here to show and hide
3	0.26050	0.99750	0.25900
4	0.73950	0.00250	0.74100
(0,1/2,0)' + set click here to show and hide
5	0.76050	0.99750	0.25900
6	0.23950	0.00250	0.74100
(1/2,0,0)' + set click here to show and hide
7	0.26050	0.49750	0.25900
8	0.73950	0.50250	0.74100

Set of atoms in the unit cell related by symmetry with the atom Cl1_1:

Atom	x	y	z
1	0.11200	0.13150	0.98500
2	0.88800	0.86850	0.01500
(1/2,1/2,0) + set click here to show and hide
3	0.61200	0.63150	0.98500
4	0.38800	0.36850	0.01500
(0,1/2,0)' + set click here to show and hide
5	0.11200	0.63150	0.98500
6	0.88800	0.36850	0.01500
(1/2,0,0)' + set click here to show and hide
7	0.61200	0.13150	0.98500
8	0.38800	0.86850	0.01500

Set of atoms in the unit cell related by symmetry with the atom Cl1_2:

Atom	x	y	z
1	0.13800	0.38150	0.51500
2	0.86200	0.61850	0.48500
(1/2,1/2,0) + set click here to show and hide
3	0.63800	0.88150	0.51500
4	0.36200	0.11850	0.48500
(0,1/2,0)' + set click here to show and hide
5	0.13800	0.88150	0.51500
6	0.86200	0.11850	0.48500
(1/2,0,0)' + set click here to show and hide
7	0.63800	0.38150	0.51500
8	0.36200	0.61850	0.48500

Set of atoms in the unit cell related by symmetry with the atom Cl2_1:

Atom	x	y	z
1	0.37100	0.10850	0.01300
2	0.62900	0.89150	0.98700
(1/2,1/2,0) + set click here to show and hide
3	0.87100	0.60850	0.01300
4	0.12900	0.39150	0.98700
(0,1/2,0)' + set click here to show and hide
5	0.37100	0.60850	0.01300
6	0.62900	0.39150	0.98700
(1/2,0,0)' + set click here to show and hide
7	0.87100	0.10850	0.01300
8	0.12900	0.89150	0.98700

Set of atoms in the unit cell related by symmetry with the atom Cl2_2:

Atom	x	y	z
1	0.87900	0.35850	0.48700
2	0.12100	0.64150	0.51300
(1/2,1/2,0) + set click here to show and hide
3	0.37900	0.85850	0.48700
4	0.62100	0.14150	0.51300
(0,1/2,0)' + set click here to show and hide
5	0.87900	0.85850	0.48700
6	0.12100	0.14150	0.51300
(1/2,0,0)' + set click here to show and hide
7	0.37900	0.35850	0.48700
8	0.62100	0.64150	0.51300

Set of atoms in the unit cell related by symmetry with the atom Cl3_1:

Atom	x	y	z
1	0.01350	0.49550	0.24000
2	0.98650	0.50450	0.76000
(1/2,1/2,0) + set click here to show and hide
3	0.51350	0.99550	0.24000
4	0.48650	0.00450	0.76000
(0,1/2,0)' + set click here to show and hide
5	0.01350	0.99550	0.24000
6	0.98650	0.00450	0.76000
(1/2,0,0)' + set click here to show and hide
7	0.51350	0.49550	0.24000
8	0.48650	0.50450	0.76000

Set of atoms in the unit cell related by symmetry with the atom Cl3_2:

Atom	x	y	z
1	0.23650	0.74550	0.26000
2	0.76350	0.25450	0.74000
(1/2,1/2,0) + set click here to show and hide
3	0.73650	0.24550	0.26000
4	0.26350	0.75450	0.74000
(0,1/2,0)' + set click here to show and hide
5	0.23650	0.24550	0.26000
6	0.76350	0.75450	0.74000
(1/2,0,0)' + set click here to show and hide
7	0.73650	0.74550	0.26000
8	0.26350	0.25450	0.74000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Re1_1	Re	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	0.8	-1.8	0.0	1.97
Re1_2	Re	0.25000	0.25000	0.50000	4	m_x,m_y,m_z	-0.8	1.8	0.0	1.97

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mD1+D2+	2	2	general	primary	6

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