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	{ 2₀₁₀ \| 0 }
3	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
4	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x,-y,z,+1	{ m₀₁₀ \| 0 }
7	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
8	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
10	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
11	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
12	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
13	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
14	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
15	x,y,-z,-1	{ m'₀₀₁ \| 0 }
16	-x,y,z,-1	{ m'₁₀₀ \| 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	-x,y,-z,+1	2₀₁₀
3	-x,-y,z,+1	2₀₀₁
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	x,y,-z,+1	m₀₀₁
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	-x,-y,z,-1	2'₀₀₁
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	x,y,-z,-1	m'₀₀₁
16	-x,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0	0	0	2	0,m_y,0	0.0	3.50(2)	0.0	3.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ag1	Ag	0	0	0.5	2
Cs1	Cs	0	0.5	0.25	4
Cl1	Cl	0.234(4)	0.766(4)	0	8
Cl2	Cl	0	0	0.234	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	3.50000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
2	0.50000	0.50000	0.50000	0,-m_y,0	0.00000	-3.50000	0.00000

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

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	0.23400	0.76600	0.00000
2	0.76600	0.76600	0.00000
3	0.26600	0.73400	0.50000
4	0.73400	0.73400	0.50000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.73400	0.26600	0.50000
6	0.26600	0.26600	0.50000
7	0.76600	0.23400	0.00000
8	0.23400	0.23400	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.23400
2	0.00000	0.00000	0.76600
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.73400
4	0.50000	0.50000	0.26600

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0	0	0	2	0,m_y,0	0.0	3.50(2)	0.0	3.50

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	3.50000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
2	0.50000	0.50000	0.50000	0,-m_y,0	0.00000	-3.50000	0.00000

label	dim. full irrep	dim. small irrep	direction	action
mX5+	6	2	special	primary

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