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	{ -1 \| 0 }
6	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
7	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
8	x,y,-z,+1	{ m₀₀₁ \| 0 }
9	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
10	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
11	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
12	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
13	-x,y,z,-1	{ m'₁₀₀ \| 0 }
14	x,-y,z,-1	{ m'₀₁₀ \| 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	-y+1/2,x+1/2,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 1/2 1/2 }
19	y+1/2,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 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	y+1/2,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 1/2 1/2 }
23	-y+1/2,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 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	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
26	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 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	-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:

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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	0.00000	0.00000	0.00000	1.	2	0,0,m_z	0.0	0.0	3.89(11)	3.89
Mn2	Mn	0.00000	0.50000	0.25000	0.5	4	0,0,m_z	0.0	0.0	-1.10(7)	1.10

Non-magnetic atoms:

Label	Atom type	y	z	Occupancy	Multiplicity
Sr1	Sr	0.00000	0.41040	1.	4
Cu1	Cu	0.50000	0.25000	0.5	4
As1	As	0.00000	0.16750	1.	4
O1	O	0.50000	0.00000	1.	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.89000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	3.89000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	0,0,m_z	0.00000	0.00000	-1.10000
2	0.50000	0.00000	0.25000	0,0,m_z	0.00000	0.00000	-1.10000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	-1.10000
4	0.00000	0.50000	0.75000	0,0,m_z	0.00000	0.00000	-1.10000

Atom	x	y	z
1	0.00000	0.00000	0.41040
2	0.00000	0.00000	0.58960
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.91040
4	0.50000	0.50000	0.08960

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

Atom	x	y	z
1	0.00000	0.00000	0.16750
2	0.00000	0.00000	0.83250
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.66750
4	0.50000	0.50000	0.33250

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

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	1.	2	0,0,m_z	0.0	0.0	3.89(11)	3.89
Mn2	Mn	0.00000	0.50000	0.25000	0.5	4	0,0,m_z	0.0	0.0	-1.10(7)	1.10

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.89000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	3.89000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	0,0,m_z	0.00000	0.00000	-1.10000
2	0.50000	0.00000	0.25000	0,0,m_z	0.00000	0.00000	-1.10000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	-1.10000
4	0.00000	0.50000	0.75000	0,0,m_z	0.00000	0.00000	-1.10000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3+	1	1	primary	2

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