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	{ 2₁₀₀ \| 0 }
3	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x,y,z,+1	{ m₁₀₀ \| 0 }
7	x,-y,z,+1	{ m₀₁₀ \| 0 }
8	x,y,-z,+1	{ m₀₀₁ \| 0 }
9	-y,x,z,-1	{ 4'⁺₀₀₁ \| 0 }
10	y,-x,z,-1	{ 4'^-₀₀₁ \| 0 }
11	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
12	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
13	y,-x,-z,-1	{ -4'⁺₀₀₁ \| 0 }
14	-y,x,-z,-1	{ -4'^-₀₀₁ \| 0 }
15	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
16	y,x,z,-1	{ m'_1-10 \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
17	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
18	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
19	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
20	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
21	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
22	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
23	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
24	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
25	-y+1/2,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 1/2 }
26	y+1/2,-x+1/2,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 1/2 1/2 }
27	y+1/2,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 }
28	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 1/2 }
29	y+1/2,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
30	-y+1/2,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 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:

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.25000	8	m_x,m_x,m_z	0.037(68)	0.037	0.712(14)	0.71

Non-magnetic atoms:

Label	Atom type	x	y	Multiplicity
Ca1	Ca	0.00000	0.00000	2
Al1	Al	0.34250	0.00000	8
Al2	Al	0.27460	0.50000	8

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,m_z	0.03700	0.03700	0.71200
2	0.25000	0.75000	0.75000	m_x,-m_x,-m_z	0.03700	-0.03700	-0.71200
3	0.75000	0.25000	0.75000	-m_x,m_x,-m_z	-0.03700	0.03700	-0.71200
4	0.75000	0.75000	0.25000	-m_x,-m_x,m_z	-0.03700	-0.03700	0.71200
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5	0.75000	0.75000	0.75000	m_x,m_x,m_z	0.03700	0.03700	0.71200
6	0.75000	0.25000	0.25000	m_x,-m_x,-m_z	0.03700	-0.03700	-0.71200
7	0.25000	0.75000	0.25000	-m_x,m_x,-m_z	-0.03700	0.03700	-0.71200
8	0.25000	0.25000	0.75000	-m_x,-m_x,m_z	-0.03700	-0.03700	0.71200

Atom	x	y	z
1	0.00000	0.00000	0.00000
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2	0.50000	0.50000	0.50000

Atom	x	y	z
1	0.34250	0.00000	0.00000
2	0.65750	0.00000	0.00000
3	0.00000	0.34250	0.00000
4	0.00000	0.65750	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.84250	0.50000	0.50000
6	0.15750	0.50000	0.50000
7	0.50000	0.84250	0.50000
8	0.50000	0.15750	0.50000

Atom	x	y	z
1	0.27460	0.50000	0.00000
2	0.72540	0.50000	0.00000
3	0.50000	0.27460	0.00000
4	0.50000	0.72540	0.00000
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5	0.77460	0.00000	0.50000
6	0.22540	0.00000	0.50000
7	0.00000	0.77460	0.50000
8	0.00000	0.22540	0.50000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.25000	8	m_x,m_x,m_z	0.037(68)	0.037	0.712(14)	0.71

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,m_z	0.03700	0.03700	0.71200
2	0.25000	0.75000	0.75000	m_x,-m_x,-m_z	0.03700	-0.03700	-0.71200
3	0.75000	0.25000	0.75000	-m_x,m_x,-m_z	-0.03700	0.03700	-0.71200
4	0.75000	0.75000	0.25000	-m_x,-m_x,m_z	-0.03700	-0.03700	0.71200
(1/2,1/2,1/2) + set click here to show and hide
5	0.75000	0.75000	0.75000	m_x,m_x,m_z	0.03700	0.03700	0.71200
6	0.75000	0.25000	0.25000	m_x,-m_x,-m_z	0.03700	-0.03700	-0.71200
7	0.25000	0.75000	0.25000	-m_x,m_x,-m_z	-0.03700	0.03700	-0.71200
8	0.25000	0.25000	0.75000	-m_x,-m_x,m_z	-0.03700	-0.03700	0.71200

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	2

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