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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1_1	Ce	0.00000	0.12381	0.75000	4	0,0,m_z	0.0	0.0	-0.34(2)	0.34

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Al1_1	Al	0.22480	0.36410	0.75000	8
Al2_1	Al	0.35090	0.13040	0.75000	8
Al3_1	Al	0.00000	0.16070	0.10110	8
Al4_1	Al	0.00000	0.37740	0.55040	8
Al5_1	Al	0.22760	0.00000	0.50000	8
Ru1_1	Ru	0.25000	0.25000	0.50000	8

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Ce1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.12381	0.75000	0,0,m_z	0.00000	0.00000	-0.34000
2	0.00000	0.87619	0.25000	0,0,-m_z	0.00000	0.00000	0.34000
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3	0.50000	0.62381	0.75000	0,0,-m_z	0.00000	0.00000	0.34000
4	0.50000	0.37619	0.25000	0,0,m_z	0.00000	0.00000	-0.34000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Al1_1:

Atom	x	y	z
1	0.22480	0.36410	0.75000
2	0.22480	0.63590	0.25000
3	0.27520	0.86410	0.75000
4	0.27520	0.13590	0.25000
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5	0.72480	0.86410	0.75000
6	0.72480	0.13590	0.25000
7	0.77520	0.36410	0.75000
8	0.77520	0.63590	0.25000

Set of atoms in the unit cell related by symmetry with the atom Al2_1:

Atom	x	y	z
1	0.35090	0.13040	0.75000
2	0.35090	0.86960	0.25000
3	0.14910	0.63040	0.75000
4	0.14910	0.36960	0.25000
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5	0.85090	0.63040	0.75000
6	0.85090	0.36960	0.25000
7	0.64910	0.13040	0.75000
8	0.64910	0.86960	0.25000

Set of atoms in the unit cell related by symmetry with the atom Al3_1:

Atom	x	y	z
1	0.00000	0.16070	0.10110
2	0.00000	0.83930	0.89890
3	0.50000	0.66070	0.39890
4	0.50000	0.33930	0.60110
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5	0.50000	0.66070	0.10110
6	0.50000	0.33930	0.89890
7	0.00000	0.16070	0.39890
8	0.00000	0.83930	0.60110

Set of atoms in the unit cell related by symmetry with the atom Al4_1:

Atom	x	y	z
1	0.00000	0.37740	0.55040
2	0.00000	0.62260	0.44960
3	0.50000	0.87740	0.94960
4	0.50000	0.12260	0.05040
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5	0.50000	0.87740	0.55040
6	0.50000	0.12260	0.44960
7	0.00000	0.37740	0.94960
8	0.00000	0.62260	0.05040

Set of atoms in the unit cell related by symmetry with the atom Al5_1:

Atom	x	y	z
1	0.22760	0.00000	0.50000
2	0.27240	0.50000	0.00000
3	0.27240	0.50000	0.50000
4	0.22760	0.00000	0.00000
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5	0.72760	0.50000	0.50000
6	0.77240	0.00000	0.00000
7	0.77240	0.00000	0.50000
8	0.72760	0.50000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Ru1_1:

Atom	x	y	z
1	0.25000	0.25000	0.50000
2	0.25000	0.75000	0.50000
3	0.25000	0.75000	0.00000
4	0.25000	0.25000	0.00000
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5	0.75000	0.75000	0.50000
6	0.75000	0.25000	0.50000
7	0.75000	0.25000	0.00000
8	0.75000	0.75000	0.00000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1_1	Ce	0.00000	0.12381	0.75000	4	0,0,m_z	0.0	0.0	-0.34(2)	0.34

label	dim. small irrep	dim. full irrep	action
mY3-	1	1	primary

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