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	-y,x,z,+1	{ 4⁺₀₀₁ \| 0 }
3	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
6	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
7	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
8	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	-y+1/2,x+1/2,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 1/2 1/2 }
11	y+1/2,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 1/2 1/2 1/2 }
12	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
13	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
14	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
15	-y+1/2,-x+1/2,z,+1	{ m₁₁₀ \| 1/2 1/2 0 }
16	y+1/2,x+1/2,z,+1	{ m_1-10 \| 1/2 1/2 0 }
(0,0,1/2)' + set click here to show and hide
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	-y,x,z+1/2,-1	{ 4'⁺₀₀₁ \| 0 0 1/2 }
19	y,-x,z+1/2,-1	{ 4'^-₀₀₁ \| 0 0 1/2 }
20	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
21	-x,y,z,-1	{ m'₁₀₀ \| 0 }
22	x,-y,z,-1	{ m'₀₁₀ \| 0 }
23	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
24	y,x,z,-1	{ m'_1-10 \| 0 }
(1/2,1/2,0)' + set click here to show and hide
25	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
26	-y+1/2,x+1/2,z,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 0 }
27	y+1/2,-x+1/2,z,-1	{ 4'^-₀₀₁ \| 1/2 1/2 0 }
28	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
29	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
30	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
31	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
32	y+1/2,x+1/2,z+1/2,-1	{ m'_1-10 \| 1/2 1/2 1/2 }

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-x,y,z,+1	m₁₀₀
6	x,-y,z,+1	m₀₁₀
7	-y,-x,z,+1	m₁₁₀
8	y,x,z,+1	m_1-10
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-y,x,z,-1	4'⁺₀₀₁
11	y,-x,z,-1	4'^-₀₀₁
12	-x,-y,z,-1	2'₀₀₁
13	-x,y,z,-1	m'₁₀₀
14	x,-y,z,-1	m'₀₁₀
15	-y,-x,z,-1	m'₁₁₀
16	y,x,z,-1	m'_1-10

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.25000	0.25000	0.25000	1.	8	m_x,m_x,0	2.85	2.85	0.0	4.03

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1_1	La	0.00000	0.00000	0.37945	1.	4
La1_2	La	0.00000	0.50000	0.62055	1.	4
Au1_1	Au	0.00000	0.80400	0.12812	1.	16
Au1_2	Au	0.00000	0.30400	0.87188	1.	16
Au2	Au	0.25000	0.25000	0.00000	0.931	8
Mn2	Mn	0.25000	0.25000	0.00000	0.069	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,m_x,0	2.85000	2.85000	0.00000
2	0.75000	0.25000	0.25000	-m_x,m_x,0	-2.85000	2.85000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.75000	0.75000	m_x,m_x,0	2.85000	2.85000	0.00000
4	0.25000	0.75000	0.75000	-m_x,m_x,0	-2.85000	2.85000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.75000	-m_x,-m_x,0	-2.85000	-2.85000	0.00000
6	0.75000	0.25000	0.75000	m_x,-m_x,0	2.85000	-2.85000	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.75000	0.25000	-m_x,-m_x,0	-2.85000	-2.85000	0.00000
8	0.25000	0.75000	0.25000	m_x,-m_x,0	2.85000	-2.85000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1_1:

Atom	x	y	z
1	0.00000	0.00000	0.37945
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.87945
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.87945
(1/2,1/2,0)' + set click here to show and hide
4	0.50000	0.50000	0.37945

Set of atoms in the unit cell related by symmetry with the atom La1_2:

Atom	x	y	z
1	0.00000	0.50000	0.62055
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.00000	0.12055
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.12055
(1/2,1/2,0)' + set click here to show and hide
4	0.50000	0.00000	0.62055

Set of atoms in the unit cell related by symmetry with the atom Au1_1:

Atom	x	y	z
1	0.00000	0.80400	0.12812
2	0.19600	0.00000	0.12812
3	0.80400	0.00000	0.12812
4	0.00000	0.19600	0.12812
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.30400	0.62812
6	0.69600	0.50000	0.62812
7	0.30400	0.50000	0.62812
8	0.50000	0.69600	0.62812
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.80400	0.62812
10	0.19600	0.00000	0.62812
11	0.80400	0.00000	0.62812
12	0.00000	0.19600	0.62812
(1/2,1/2,0)' + set click here to show and hide
13	0.50000	0.30400	0.12812
14	0.69600	0.50000	0.12812
15	0.30400	0.50000	0.12812
16	0.50000	0.69600	0.12812

Set of atoms in the unit cell related by symmetry with the atom Au1_2:

Atom	x	y	z
1	0.00000	0.30400	0.87188
2	0.69600	0.00000	0.87188
3	0.30400	0.00000	0.87188
4	0.00000	0.69600	0.87188
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.80400	0.37188
6	0.19600	0.50000	0.37188
7	0.80400	0.50000	0.37188
8	0.50000	0.19600	0.37188
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.30400	0.37188
10	0.69600	0.00000	0.37188
11	0.30400	0.00000	0.37188
12	0.00000	0.69600	0.37188
(1/2,1/2,0)' + set click here to show and hide
13	0.50000	0.80400	0.87188
14	0.19600	0.50000	0.87188
15	0.80400	0.50000	0.87188
16	0.50000	0.19600	0.87188

Set of atoms in the unit cell related by symmetry with the atom Au2:

Atom	x	y	z
1	0.25000	0.25000	0.00000
2	0.75000	0.25000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.75000	0.50000
4	0.25000	0.75000	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.50000
6	0.75000	0.25000	0.50000
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.75000	0.00000
8	0.25000	0.75000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Mn2:

Atom	x	y	z
1	0.25000	0.25000	0.00000
2	0.75000	0.25000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.75000	0.50000
4	0.25000	0.75000	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.50000
6	0.75000	0.25000	0.50000
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.75000	0.00000
8	0.25000	0.75000	0.00000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.25000	0.25000	0.25000	8	m_x,m_x,0	2.85	2.85	0.0	4.03

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mA4	2	2	special	primary	1

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