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

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

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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\|
Cu1	Cu	0.00000	0.00000	0.00000	1.	4	m_x,m_y,0	-0.2	-1.2	0.0	1.22

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Gd1	Gd	0.00000	0.00000	0.34926	1.	8
O1	O	0.27248	0.22682	0.00000	0.992	8
O2	O	0.25000	0.25523	0.25000	0.999	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	-0.20000	-1.20000	0.00000
2	0.50000	0.50000	0.00000	m_x,-m_y,0	-0.20000	1.20000	0.00000
(0,1/2,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.50000	-m_x,-m_y,0	0.20000	1.20000	0.00000
4	0.50000	0.00000	0.50000	-m_x,m_y,0	0.20000	-1.20000	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.34926
2	0.50000	0.50000	0.65074
3	0.00000	0.00000	0.65074
4	0.50000	0.50000	0.34926
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.84926
6	0.50000	0.00000	0.15074
7	0.00000	0.50000	0.15074
8	0.50000	0.00000	0.84926

Atom	x	y	z
1	0.27248	0.22682	0.00000
2	0.77248	0.27318	0.00000
3	0.72752	0.27318	0.50000
4	0.22752	0.22682	0.50000
(0,1/2,1/2)' + set click here to show and hide
5	0.27248	0.72682	0.50000
6	0.77248	0.77318	0.50000
7	0.72752	0.77318	0.00000
8	0.22752	0.72682	0.00000

Atom	x	y	z
1	0.25000	0.25523	0.25000
2	0.75000	0.24477	0.75000
3	0.75000	0.74477	0.75000
4	0.25000	0.75523	0.25000
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5	0.25000	0.75523	0.75000
6	0.75000	0.74477	0.25000
7	0.75000	0.24477	0.25000
8	0.25000	0.25523	0.75000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	4	m_x,m_y,0	-0.2	-1.2	0.0	1.22

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	-0.20000	-1.20000	0.00000
2	0.50000	0.50000	0.00000	m_x,-m_y,0	-0.20000	1.20000	0.00000
(0,1/2,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.50000	-m_x,-m_y,0	0.20000	1.20000	0.00000
4	0.50000	0.00000	0.50000	-m_x,m_y,0	0.20000	-1.20000	0.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mY4+	1	1	primary	2

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