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+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
3	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
4	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
5	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
6	-x+1/2,y,z,+1	{ m₁₀₀ \| 1/2 0 0 }
7	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
8	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
(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,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
11	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
12	-x+1/2,y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
13	-x,-y,-z,+1	{ -1 \| 0 }
14	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
15	x,y,-z,+1	{ m₀₀₁ \| 0 }
16	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
19	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
20	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
21	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
22	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }
23	x+1/2,y,-z,-1	{ m'₀₀₁ \| 1/2 0 0 }
24	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
(1/2,0,0)' + set click here to show and hide
25	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
26	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
27	-x+1/2,-y,z,-1	{ 2'₀₀₁ \| 1/2 0 0 }
28	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
29	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
30	-x,y,z,-1	{ m'₁₀₀ \| 0 }
31	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
32	x,-y,z,-1	{ m'₀₁₀ \| 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\|
Tb1	Tb	0.00000	0.00000	0.00000	0.68	4	0,0,m_z	0.0	0.0	8.8(2)	8.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Y1	Y	0.00000	0.00000	0.00000	0.32	4
Rh1	Rh	0.00000	0.00000	0.25000	1.	4
In1	In	0.25000	0.50000	0.00000	1.	4
In2_1	In	0.00000	0.50000	0.15250	1.	8
In2_2	In	0.25000	0.00000	0.15250	1.	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 Tb1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	8.80000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	8.80000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-8.80000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.00000	0.00000	0,0,-m_z	0.00000	0.00000	-8.80000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Y1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.00000	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Rh1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.00000	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.75000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.00000	0.25000

Set of atoms in the unit cell related by symmetry with the atom In1:

Atom	x	y	z
1	0.25000	0.50000	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.75000	0.50000	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.25000	0.50000	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.50000	0.00000

Set of atoms in the unit cell related by symmetry with the atom In2_1:

Atom	x	y	z
1	0.00000	0.50000	0.15250
2	0.00000	0.50000	0.34750
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.50000	0.65250
4	0.50000	0.50000	0.84750
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.65250
6	0.00000	0.50000	0.84750
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.50000	0.15250
8	0.50000	0.50000	0.34750

Set of atoms in the unit cell related by symmetry with the atom In2_2:

Atom	x	y	z
1	0.25000	0.00000	0.15250
2	0.25000	0.00000	0.34750
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.65250
4	0.75000	0.00000	0.84750
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.00000	0.65250
6	0.25000	0.00000	0.84750
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.00000	0.15250
8	0.75000	0.00000	0.34750

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.00000	0.00000	0.00000	0.68	4	0,0,m_z	0.0	0.0	8.8(2)	8.80

label	dim. small irrep	dim. full irrep	action	number of modes
mR2+	1	2	primary	1

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