MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

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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	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
6	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
7	-y,-x,z,+1	{ m₁₁₀ \| 0 }
8	y,x,z,+1	{ m_1-10 \| 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	-x,-y,-z,-1	{ -1' \| 0 }
14	-x,y,z,-1	{ m'₁₀₀ \| 0 }
15	x,-y,z,-1	{ m'₀₁₀ \| 0 }
16	x,y,-z,-1	{ m'₀₀₁ \| 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	y+1/2,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 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	{ m₁₁₀ \| 1/2 1/2 1/2 }
24	y+1/2,x+1/2,z+1/2,+1	{ m_1-10 \| 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	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
30	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
31	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
32	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

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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\|
Cr1	Cr	0.00000	0.50000	0.25000	0.5	4	0,0,m_z	0.0	0.0	1.09(3)	1.09

Non-magnetic atoms:

Label	Atom type	y	z	Occupancy	Multiplicity
Ba1	Ba	0.00000	0.00000	1.	2
Fe1	Fe	0.50000	0.25000	0.5	4
As1	As	0.00000	0.35779(10)	1.	4

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	1.09000
2	0.00000	0.50000	0.75000	0,0,-m_z	0.00000	0.00000	-1.09000
(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	1.09000
4	0.50000	0.00000	0.25000	0,0,-m_z	0.00000	0.00000	-1.09000

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

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

Atom	x	y	z
1	0.00000	0.00000	0.35779
2	0.00000	0.00000	0.64221
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.85779
4	0.50000	0.50000	0.14221

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.50000	0.25000	0.5	4	0,0,m_z	0.0	0.0	1.09(3)	1.09

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	1.09000
2	0.00000	0.50000	0.75000	0,0,-m_z	0.00000	0.00000	-1.09000
(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	1.09000
4	0.50000	0.00000	0.25000	0,0,-m_z	0.00000	0.00000	-1.09000

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

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