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+1/4,-y,z+1/2,+1	{ 2₀₀₁ \| 1/4 0 1/2 }
3	-x+3/4,y+1/2,z+1/2,+1	{ m₁₀₀ \| 3/4 1/2 1/2 }
4	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+3/4,-y,z+1/2,-1	{ 2'₀₀₁ \| 3/4 0 1/2 }
7	-x+1/4,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/4 1/2 1/2 }
8	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 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	2₀₀₁
3	-x,y,z,+1	m₁₀₀
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,y,z,-1	m'₁₀₀
8	x,-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Er1_1	Er	0.43000	0.25000	0.08000	4	m_x,0,m_z	4.8	-2.9	5.61
Er1_2	Er	0.57000	0.75000	0.92000	4	m_x,0,m_z	-4.8	2.9	5.61
Er2_1	Er	0.49400	0.25000	0.67100	4	m_x,0,m_z	3.	5.2	6.00
Er2_2	Er	0.50600	0.75000	0.32900	4	m_x,0,m_z	-3.	5.2	6.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pt1_1	Pt	0.12400	0.25000	0.09400	4
Pt1_2	Pt	0.87600	0.75000	0.90600	4

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 Er1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.43000	0.25000	0.08000	m_x,0,m_z	4.80000	0.00000	-2.90000
2	0.82000	0.75000	0.58000	-m_x,0,m_z	-4.80000	0.00000	-2.90000
(1/2,0,0)' + set click here to show and hide
3	0.93000	0.25000	0.08000	-m_x,0,-m_z	-4.80000	0.00000	2.90000
4	0.32000	0.75000	0.58000	m_x,0,-m_z	4.80000	0.00000	2.90000

Set of atoms in the unit cell related by symmetry with the magnetic atom Er1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.57000	0.75000	0.92000	m_x,0,m_z	-4.80000	0.00000	2.90000
2	0.68000	0.25000	0.42000	-m_x,0,m_z	4.80000	0.00000	2.90000
(1/2,0,0)' + set click here to show and hide
3	0.07000	0.75000	0.92000	-m_x,0,-m_z	4.80000	0.00000	-2.90000
4	0.18000	0.25000	0.42000	m_x,0,-m_z	-4.80000	0.00000	-2.90000

Set of atoms in the unit cell related by symmetry with the magnetic atom Er2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49400	0.25000	0.67100	m_x,0,m_z	3.00000	0.00000	5.20000
2	0.75600	0.75000	0.17100	-m_x,0,m_z	-3.00000	0.00000	5.20000
(1/2,0,0)' + set click here to show and hide
3	0.99400	0.25000	0.67100	-m_x,0,-m_z	-3.00000	0.00000	-5.20000
4	0.25600	0.75000	0.17100	m_x,0,-m_z	3.00000	0.00000	-5.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Er2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50600	0.75000	0.32900	m_x,0,m_z	-3.00000	0.00000	5.20000
2	0.74400	0.25000	0.82900	-m_x,0,m_z	3.00000	0.00000	5.20000
(1/2,0,0)' + set click here to show and hide
3	0.00600	0.75000	0.32900	-m_x,0,-m_z	3.00000	0.00000	-5.20000
4	0.24400	0.25000	0.82900	m_x,0,-m_z	-3.00000	0.00000	-5.20000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pt1_1:

Atom	x	y	z
1	0.12400	0.25000	0.09400
2	0.12600	0.75000	0.59400
(1/2,0,0)' + set click here to show and hide
3	0.62400	0.25000	0.09400
4	0.62600	0.75000	0.59400

Set of atoms in the unit cell related by symmetry with the atom Pt1_2:

Atom	x	y	z
1	0.87600	0.75000	0.90600
2	0.37400	0.25000	0.40600
(1/2,0,0)' + set click here to show and hide
3	0.37600	0.75000	0.90600
4	0.87400	0.25000	0.40600

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Er1_1	Er	0.43000	0.25000	0.08000	4	m_x,0,m_z	4.8	-2.9	5.61
Er1_2	Er	0.57000	0.75000	0.92000	4	m_x,0,m_z	-4.8	2.9	5.61
Er2_1	Er	0.49400	0.25000	0.67100	4	m_x,0,m_z	3.	5.2	6.00
Er2_2	Er	0.50600	0.75000	0.32900	4	m_x,0,m_z	-3.	5.2	6.00

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX2	2	2	special	primary	8

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