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+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
3	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
4	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
5	-y,-x,-z,+1	{ 2_1-10 \| 0 }
6	-y+1/2,x,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 0 1/2 }
7	y,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 0 1/2 1/2 }
8	y+1/2,x+1/2,-z,+1	{ 2₁₁₀ \| 1/2 1/2 0 }
9	-x,-y,-z,+1	{ -1 \| 0 }
10	-x+1/2,y,z+1/2,+1	{ m₁₀₀ \| 1/2 0 1/2 }
11	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
12	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
13	y,x,z,+1	{ m_1-10 \| 0 }
14	y+1/2,-x,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 0 1/2 }
15	-y,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 0 1/2 1/2 }
16	-y+1/2,-x+1/2,z,+1	{ m₁₁₀ \| 1/2 1/2 0 }
(1/2,1/2,0)' + set click here to show and hide
17	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
18	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
19	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
20	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
21	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
22	-y,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 0 1/2 1/2 }
23	y+1/2,-x,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 0 1/2 }
24	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
25	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
26	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }
27	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
28	x,y,-z,-1	{ m'₀₀₁ \| 0 }
29	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
30	y,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 0 1/2 1/2 }
31	-y+1/2,x,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 0 1/2 }
32	-y,-x,z,-1	{ m'₁₁₀ \| 0 }

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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	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-y,-x,-z,+1	2_1-10
6	-y,x,z,+1	4⁺₀₀₁
7	y,-x,z,+1	4^-₀₀₁
8	y,x,-z,+1	2₁₁₀
9	-x,-y,-z,+1	-1
10	-x,y,z,+1	m₁₀₀
11	x,-y,z,+1	m₀₁₀
12	x,y,-z,+1	m₀₀₁
13	y,x,z,+1	m_1-10
14	y,-x,-z,+1	-4⁺₀₀₁
15	-y,x,-z,+1	-4^-₀₀₁
16	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
17	x,y,z,-1	1'
18	x,-y,-z,-1	2'₁₀₀
19	-x,y,-z,-1	2'₀₁₀
20	-x,-y,z,-1	2'₀₀₁
21	-y,-x,-z,-1	2'_1-10
22	-y,x,z,-1	4'⁺₀₀₁
23	y,-x,z,-1	4'^-₀₀₁
24	y,x,-z,-1	2'₁₁₀
25	-x,-y,-z,-1	-1'
26	-x,y,z,-1	m'₁₀₀
27	x,-y,z,-1	m'₀₁₀
28	x,y,-z,-1	m'₀₀₁
29	y,x,z,-1	m'_1-10
30	y,-x,-z,-1	-4'⁺₀₀₁
31	-y,x,-z,-1	-4'^-₀₀₁
32	-y,-x,z,-1	m'₁₁₀

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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\|
Fe_1	Fe	0.75000	0.75000	0.75000	1.00	4	0,0,0	0.0	0.0	0.0	0.00
Fe_2	Fe	0.75000	0.25000	0.75000	1.00	4	0,0,M_z	0.0	0.0	0.594	0.59

Non-magnetic atoms:

Label	Atom type	x	z	Occupancy	Multiplicity
Ba_1	Ba	0.50000	0.50000		4
Na_1	Na	0.50000	0.50000	0.24	4
As_1	As	0.50000	0.85500	1.00	8

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	0.59400
2	0.75000	0.25000	0.25000	0,0,-m_z	0.00000	0.00000	-0.59400
(1/2,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.75000	0,0,-m_z	0.00000	0.00000	-0.59400
4	0.25000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	0.59400

Atom	x	y	z
1	0.50000	0.00000	0.50000
2	0.00000	0.00000	0.00000
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3	0.00000	0.50000	0.50000
4	0.50000	0.50000	0.00000

Atom	x	y	z
1	0.50000	0.00000	0.50000
2	0.00000	0.00000	0.00000
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3	0.00000	0.50000	0.50000
4	0.50000	0.50000	0.00000

Atom	x	y	z
1	0.50000	0.00000	0.85500
2	0.00000	0.00000	0.64500
3	0.00000	0.50000	0.14500
4	0.50000	0.50000	0.35500
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5	0.00000	0.50000	0.85500
6	0.50000	0.50000	0.64500
7	0.50000	0.00000	0.14500
8	0.00000	0.00000	0.35500

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe_1	Fe	0.75000	0.75000	0.75000	4	0,0,0	0.0	0.0	0.0	0.00
Fe_2	Fe	0.75000	0.25000	0.75000	4	0,0,M_z	0.0	0.0	0.594	0.59

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	0.59400
2	0.75000	0.25000	0.25000	0,0,-m_z	0.00000	0.00000	-0.59400
(1/2,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.75000	0,0,-m_z	0.00000	0.00000	-0.59400
4	0.25000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	0.59400

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX3+	2	1	special	primary	1

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