MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the parent setting (a_p,b_p,c_p) to the standard setting of the parent space group (a_pst,b_pst,c_pst):

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

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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\|
Fe1	Fe	0.00000	0.00000	0.000	1	4	m_x,m_y,0	3.74	0.0	0.0	3.74

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ca1	Ca	0.00000	0.00000	0.354	0.5	8
La1	La	0.00000	0.00000	0.354	0.5	8
O1	O	0.222	0.278	0.00000	1	8
O2	O	0.00000	0.00000	0.172	1	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	3.74000	0.00000	0.00000
2	0.00000	0.50000	0.50000	-m_x,m_y,0	-3.74000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,m_y,0	3.74000	0.00000	0.00000
4	0.50000	0.50000	0.00000	-m_x,m_y,0	-3.74000	0.00000	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.35400
2	0.00000	0.50000	0.14600
3	0.00000	0.00000	0.64600
4	0.00000	0.50000	0.85400
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.85400
6	0.50000	0.50000	0.64600
7	0.50000	0.00000	0.14600
8	0.50000	0.50000	0.35400

Atom	x	y	z
1	0.00000	0.00000	0.35400
2	0.00000	0.50000	0.14600
3	0.00000	0.00000	0.64600
4	0.00000	0.50000	0.85400
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.85400
6	0.50000	0.50000	0.64600
7	0.50000	0.00000	0.14600
8	0.50000	0.50000	0.35400

Atom	x	y	z
1	0.22200	0.27800	0.00000
2	0.77800	0.77800	0.50000
3	0.77800	0.72200	0.00000
4	0.22200	0.22200	0.50000
(1/2,0,1/2) + set click here to show and hide
5	0.72200	0.27800	0.50000
6	0.27800	0.77800	0.00000
7	0.27800	0.72200	0.50000
8	0.72200	0.22200	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.17200
2	0.00000	0.50000	0.32800
3	0.00000	0.00000	0.82800
4	0.00000	0.50000	0.67200
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5	0.50000	0.00000	0.67200
6	0.50000	0.50000	0.82800
7	0.50000	0.00000	0.32800
8	0.50000	0.50000	0.17200

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.000	4	m_x,m_y,0	3.74	0.0	0.0	3.74

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	3.74000	0.00000	0.00000
2	0.00000	0.50000	0.50000	-m_x,m_y,0	-3.74000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,m_y,0	3.74000	0.00000	0.00000
4	0.50000	0.50000	0.00000	-m_x,m_y,0	-3.74000	0.00000	0.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	2

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