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	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	x,x-y,-z,+1	{ 2₂₁₀ \| 0 }
5	-x+y,y,-z,+1	{ 2₁₂₀ \| 0 }
6	-y,-x,-z,+1	{ 2_1-10 \| 0 }
7	-x,-y,-z,+1	{ -1 \| 0 }
8	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
9	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
10	-x,-x+y,z,+1	{ m₂₁₀ \| 0 }
11	x-y,-y,z,+1	{ m₁₂₀ \| 0 }
12	y,x,z,+1	{ m_1-10 \| 0 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
15	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }
16	x,x-y,-z+1/2,-1	{ 2'₂₁₀ \| 0 0 1/2 }
17	-x+y,y,-z+1/2,-1	{ 2'₁₂₀ \| 0 0 1/2 }
18	-y,-x,-z+1/2,-1	{ 2'_1-10 \| 0 0 1/2 }
19	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
20	y,-x+y,-z+1/2,-1	{ -3'⁺₀₀₁ \| 0 0 1/2 }
21	x-y,x,-z+1/2,-1	{ -3'^-₀₀₁ \| 0 0 1/2 }
22	-x,-x+y,z+1/2,-1	{ m'₂₁₀ \| 0 0 1/2 }
23	x-y,-y,z+1/2,-1	{ m'₁₂₀ \| 0 0 1/2 }
24	y,x,z+1/2,-1	{ m'_1-10 \| 0 0 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:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	x,x-y,-z,+1	2₂₁₀
5	-x+y,y,-z,+1	2₁₂₀
6	-y,-x,-z,+1	2_1-10
7	-x,-y,-z,+1	-1
8	y,-x+y,-z,+1	-3⁺₀₀₁
9	x-y,x,-z,+1	-3^-₀₀₁
10	-x,-x+y,z,+1	m₂₁₀
11	x-y,-y,z,+1	m₁₂₀
12	y,x,z,+1	m_1-10
1' + set click here to show and hide
13	x,y,z,-1	1'
14	-y,x-y,z,-1	3'⁺₀₀₁
15	-x+y,-x,z,-1	3'^-₀₀₁
16	x,x-y,-z,-1	2'₂₁₀
17	-x+y,y,-z,-1	2'₁₂₀
18	-y,-x,-z,-1	2'_1-10
19	-x,-y,-z,-1	-1'
20	y,-x+y,-z,-1	-3'⁺₀₀₁
21	x-y,x,-z,-1	-3'^-₀₀₁
22	-x,-x+y,z,-1	m'₂₁₀
23	x-y,-y,z,-1	m'₁₂₀
24	y,x,z,-1	m'_1-10

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.33333	0.66667	0.25000	4	0,0,m_z	0.0	0.0	1.425(10)	1.43

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.00000	0.00000	0.00000	2
O1	O	0.37890	0.00000	0.14920	12

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.25000	0,0,m_z	0.00000	0.00000	1.42500
2	0.66667	0.33333	0.75000	0,0,m_z	0.00000	0.00000	1.42500
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.75000	0,0,-m_z	0.00000	0.00000	-1.42500
4	0.66667	0.33333	0.25000	0,0,-m_z	0.00000	0.00000	-1.42500

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

Atom	x	y	z
1	0.37890	0.00000	0.14920
2	0.00000	0.37890	0.14920
3	0.62110	0.62110	0.14920
4	0.37890	0.37890	0.85080
5	0.62110	0.00000	0.85080
6	0.00000	0.62110	0.85080
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7	0.37890	0.00000	0.64920
8	0.00000	0.37890	0.64920
9	0.62110	0.62110	0.64920
10	0.37890	0.37890	0.35080
11	0.62110	0.00000	0.35080
12	0.00000	0.62110	0.35080

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.33333	0.66667	0.25000	4	0,0,m_z	0.0	0.0	1.425(10)	1.43

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.25000	0,0,m_z	0.00000	0.00000	1.42500
2	0.66667	0.33333	0.75000	0,0,m_z	0.00000	0.00000	1.42500
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.75000	0,0,-m_z	0.00000	0.00000	-1.42500
4	0.66667	0.33333	0.25000	0,0,-m_z	0.00000	0.00000	-1.42500

label	dim. small irrep	dim. full irrep	action	number of modes
mA1+	1	1	primary	1

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