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,-2x+y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
4	-x,-2x+y,z,+1	{ m₁₁₀ \| 0 }
(1/2,0,1/2) + set click here to show and hide
5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+1/2,-2x+y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
7	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
8	-x+1/2,-2x+y,z+1/2,+1	{ m₁₁₀ \| 1/2 0 1/2 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-x,-2x+y,-z,-1	{ 2'₀₁₀ \| 0 }
11	x,y,-z,-1	{ m'₀₀₁ \| 0 }
12	-x,-2x+y,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }
(1/2,0,0)' + set click here to show and hide
13	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
14	-x+1/2,-2x+y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
15	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
16	-x+1/2,-2x+y,z,-1	{ m'₁₁₀ \| 1/2 0 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-2x+y,-z,+1	2₀₁₀
3	x,y,-z,+1	m₀₀₁
4	-x,-2x+y,z,+1	m₁₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-2x+y,-z,-1	2'₀₁₀
7	x,y,-z,-1	m'₀₀₁
8	-x,-2x+y,z,-1	m'₁₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1_1	Cr	0.11163	0.00000	0.00000	0.98	8	m_x,m_y,0	0.009	-1.135	0.0	1.14
Cr1_2	Cr	0.00000	0.22327	0.00000	0.98	4	2m_y,m_y,0	-1.32	-0.66	0.0	1.14

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Al1_1	Al	0.11163	0.00000	0.00000	0.02	8
Al1_2	Al	0.00000	0.22327	0.00000	0.02	4
Cs1_1	Cs	0.28602	0.00000	0.25000	1.	8
Cs1_2	Cs	0.00000	0.57203	0.25000	1.	4
F1_1	F	0.41604	0.00000	0.00000	1.	8
F1_2	F	0.00000	0.83208	0.00000	1.	4
F2_1	F	0.11045	0.00000	0.25000	1.	8
F2_2	F	0.00000	0.22089	0.25000	1.	4
F3_1	F	0.21901	0.16032	0.00000	1.	8
F3_2	F	0.91984	0.27769	0.00000	1.	8
F3_3	F	0.86116	0.56199	0.00000	1.	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 Cr1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.11163	0.00000	0.00000	m_x,m_y,0	0.00900	-1.13500	0.00000
2	0.88837	0.77674	0.50000	-m_x,-m_x+m_y,0	-0.00900	-1.14400	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.61163	0.00000	0.50000	m_x,m_y,0	0.00900	-1.13500	0.00000
4	0.38837	0.77674	0.00000	-m_x,-m_x+m_y,0	-0.00900	-1.14400	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.11163	0.00000	0.50000	-m_x,-m_y,0	-0.00900	1.13500	0.00000
6	0.88837	0.77674	0.00000	m_x,m_x-m_y,0	0.00900	1.14400	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.61163	0.00000	0.00000	-m_x,-m_y,0	-0.00900	1.13500	0.00000
8	0.38837	0.77674	0.50000	m_x,m_x-m_y,0	0.00900	1.14400	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.22327	0.00000	2m_y,m_y,0	-1.32000	-0.66000	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.22327	0.50000	2m_y,m_y,0	-1.32000	-0.66000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.22327	0.50000	-2m_y,-m_y,0	1.32000	0.66000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.22327	0.00000	-2m_y,-m_y,0	1.32000	0.66000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Al1_1:

Atom	x	y	z
1	0.11163	0.00000	0.00000
2	0.88837	0.77674	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.61163	0.00000	0.50000
4	0.38837	0.77674	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.11163	0.00000	0.50000
6	0.88837	0.77674	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.61163	0.00000	0.00000
8	0.38837	0.77674	0.50000

Set of atoms in the unit cell related by symmetry with the atom Al1_2:

Atom	x	y	z
1	0.00000	0.22327	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.22327	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.22327	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.22327	0.00000

Set of atoms in the unit cell related by symmetry with the atom Cs1_1:

Atom	x	y	z
1	0.28602	0.00000	0.25000
2	0.71398	0.42796	0.25000
(1/2,0,1/2) + set click here to show and hide
3	0.78602	0.00000	0.75000
4	0.21398	0.42796	0.75000
(0,0,1/2)' + set click here to show and hide
5	0.28602	0.00000	0.75000
6	0.71398	0.42796	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.78602	0.00000	0.25000
8	0.21398	0.42796	0.25000

Set of atoms in the unit cell related by symmetry with the atom Cs1_2:

Atom	x	y	z
1	0.00000	0.57203	0.25000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.57203	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.57203	0.75000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.57203	0.25000

Set of atoms in the unit cell related by symmetry with the atom F1_1:

Atom	x	y	z
1	0.41604	0.00000	0.00000
2	0.58396	0.16792	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.91604	0.00000	0.50000
4	0.08396	0.16792	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.41604	0.00000	0.50000
6	0.58396	0.16792	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.91604	0.00000	0.00000
8	0.08396	0.16792	0.50000

Set of atoms in the unit cell related by symmetry with the atom F1_2:

Atom	x	y	z
1	0.00000	0.83208	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.83208	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.83208	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.83208	0.00000

Set of atoms in the unit cell related by symmetry with the atom F2_1:

Atom	x	y	z
1	0.11045	0.00000	0.25000
2	0.88955	0.77910	0.25000
(1/2,0,1/2) + set click here to show and hide
3	0.61045	0.00000	0.75000
4	0.38955	0.77910	0.75000
(0,0,1/2)' + set click here to show and hide
5	0.11045	0.00000	0.75000
6	0.88955	0.77910	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.61045	0.00000	0.25000
8	0.38955	0.77910	0.25000

Set of atoms in the unit cell related by symmetry with the atom F2_2:

Atom	x	y	z
1	0.00000	0.22089	0.25000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.22089	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.22089	0.75000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.22089	0.25000

Set of atoms in the unit cell related by symmetry with the atom F3_1:

Atom	x	y	z
1	0.21901	0.16032	0.00000
2	0.78099	0.72230	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.71901	0.16032	0.50000
4	0.28099	0.72230	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.21901	0.16032	0.50000
6	0.78099	0.72230	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.71901	0.16032	0.00000
8	0.28099	0.72230	0.50000

Set of atoms in the unit cell related by symmetry with the atom F3_2:

Atom	x	y	z
1	0.91984	0.27769	0.00000
2	0.08016	0.43801	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.41984	0.27769	0.50000
4	0.58016	0.43801	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.91984	0.27769	0.50000
6	0.08016	0.43801	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.41984	0.27769	0.00000
8	0.58016	0.43801	0.50000

Set of atoms in the unit cell related by symmetry with the atom F3_3:

Atom	x	y	z
1	0.86116	0.56199	0.00000
2	0.13884	0.83967	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.36116	0.56199	0.50000
4	0.63884	0.83967	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.86116	0.56199	0.50000
6	0.13884	0.83967	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.36116	0.56199	0.00000
8	0.63884	0.83967	0.50000

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1_1	Cr	0.11163	0.00000	0.00000	0.98	8	m_x,m_y,0	0.009	-1.135	0.0	1.14
Cr1_2	Cr	0.00000	0.22327	0.00000	0.98	4	2m_y,m_y,0	-1.32	-0.66	0.0	1.14

label	dim. small irrep	dim. full irrep	action	number of modes
mL3	1	3	primary	3

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