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-y,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
5	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
6	-x,-x+y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
7	-x+y,-x,-z,+1	{ -6⁺₀₀₁ \| 0 }
8	x,y,-z,+1	{ m₀₀₁ \| 0 }
9	-y,x-y,-z,+1	{ -6^-₀₀₁ \| 0 }
10	-x,-x+y,z+1/2,+1	{ m₂₁₀ \| 0 0 1/2 }
11	x-y,-y,z+1/2,+1	{ m₁₂₀ \| 0 0 1/2 }
12	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
(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-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
17	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
18	-x,-x+y,-z,-1	{ 2'₀₁₀ \| 0 }
19	-x+y,-x,-z+1/2,-1	{ -6'⁺₀₀₁ \| 0 0 1/2 }
20	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
21	-y,x-y,-z+1/2,-1	{ -6'^-₀₀₁ \| 0 0 1/2 }
22	-x,-x+y,z,-1	{ m'₂₁₀ \| 0 }
23	x-y,-y,z,-1	{ m'₁₂₀ \| 0 }
24	y,x,z,-1	{ m'_1-10 \| 0 }

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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-y,-y,-z,+1	2₁₀₀
5	y,x,-z,+1	2₁₁₀
6	-x,-x+y,-z,+1	2₀₁₀
7	-x+y,-x,-z,+1	-6⁺₀₀₁
8	x,y,-z,+1	m₀₀₁
9	-y,x-y,-z,+1	-6^-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-y,-y,-z,-1	2'₁₀₀
17	y,x,-z,-1	2'₁₁₀
18	-x,-x+y,-z,-1	2'₀₁₀
19	-x+y,-x,-z,-1	-6'⁺₀₀₁
20	x,y,-z,-1	m'₀₀₁
21	-y,x-y,-z,-1	-6'^-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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1	Ce	0.58570	0.00000	0.00000	1.00000	6	0,0,m_z	0.0	0.0	-1.37(1)	1.37

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Rh1	Rh	0.00000	0.00000	0.00000	0.19992	2
Pd1	Pd	0.00000	0.00000	0.00000	0.79992	2
Rh2	Rh	0.33333	0.66667	0.25000	0.19998	4
Pd2	Pd	0.33333	0.66667	0.25000	0.79998	4
Sn1	Sn	0.24880	0.00000	0.25000	1.00000	6

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.58570	0.00000	0.00000	0,0,m_z	0.00000	0.00000	-1.37000
2	0.00000	0.58570	0.00000	0,0,m_z	0.00000	0.00000	-1.37000
3	0.41430	0.41430	0.00000	0,0,m_z	0.00000	0.00000	-1.37000
(0,0,1/2)' + set click here to show and hide
4	0.58570	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	1.37000
5	0.00000	0.58570	0.50000	0,0,-m_z	0.00000	0.00000	1.37000
6	0.41430	0.41430	0.50000	0,0,-m_z	0.00000	0.00000	1.37000

Atom	x	y	z
1	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000

Atom	x	y	z
1	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000

Atom	x	y	z
1	0.33333	0.66667	0.25000
2	0.66666	0.33333	0.25000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.75000
4	0.66666	0.33333	0.75000

Atom	x	y	z
1	0.33333	0.66667	0.25000
2	0.66666	0.33333	0.25000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.75000
4	0.66666	0.33333	0.75000

Atom	x	y	z
1	0.24880	0.00000	0.25000
2	0.00000	0.24880	0.25000
3	0.75120	0.75120	0.25000
(0,0,1/2)' + set click here to show and hide
4	0.24880	0.00000	0.75000
5	0.00000	0.24880	0.75000
6	0.75120	0.75120	0.75000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1	Ce	0.58570	0.00000	0.00000	6	0,0,m_z	0.0	0.0	-1.37(1)	1.37

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.58570	0.00000	0.00000	0,0,m_z	0.00000	0.00000	-1.37000
2	0.00000	0.58570	0.00000	0,0,m_z	0.00000	0.00000	-1.37000
3	0.41430	0.41430	0.00000	0,0,m_z	0.00000	0.00000	-1.37000
(0,0,1/2)' + set click here to show and hide
4	0.58570	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	1.37000
5	0.00000	0.58570	0.50000	0,0,-m_z	0.00000	0.00000	1.37000
6	0.41430	0.41430	0.50000	0,0,-m_z	0.00000	0.00000	1.37000

label	dim. small irrep	dim. full irrep	action	number of modes
mA4	1	1	primary	1

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