MAGNDATA - Collection of Magnetic Structures

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	-y,x,z,+1	{ 4⁺₀₀₁ \| 0 }
3	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
4	x+1/2,-y+1/2,-z+7/8,+1	{ 2₁₀₀ \| 1/2 1/2 7/8 }
5	-x+1/2,y+1/2,-z+7/8,+1	{ 2₀₁₀ \| 1/2 1/2 7/8 }
6	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
7	y+1/2,x+1/2,-z+7/8,+1	{ 2₁₁₀ \| 1/2 1/2 7/8 }
8	-y+1/2,-x+1/2,-z+7/8,+1	{ 2_1-10 \| 1/2 1/2 7/8 }
9	-x+1/2,-y+1/2,-z+3/8,+1	{ -1 \| 1/2 1/2 3/8 }
10	y+1/2,-x+1/2,-z+3/8,+1	{ -4⁺₀₀₁ \| 1/2 1/2 3/8 }
11	-y+1/2,x+1/2,-z+3/8,+1	{ -4^-₀₀₁ \| 1/2 1/2 3/8 }
12	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
13	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
14	x+1/2,y+1/2,-z+3/8,+1	{ m₀₀₁ \| 1/2 1/2 3/8 }
15	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
16	y,x,z+1/2,+1	{ m_1-10 \| 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	-y,x,z+1/2,-1	{ 4'⁺₀₀₁ \| 0 0 1/2 }
19	y,-x,z+1/2,-1	{ 4'^-₀₀₁ \| 0 0 1/2 }
20	x+1/2,-y+1/2,-z+3/8,-1	{ 2'₁₀₀ \| 1/2 1/2 3/8 }
21	-x+1/2,y+1/2,-z+3/8,-1	{ 2'₀₁₀ \| 1/2 1/2 3/8 }
22	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
23	y+1/2,x+1/2,-z+3/8,-1	{ 2'₁₁₀ \| 1/2 1/2 3/8 }
24	-y+1/2,-x+1/2,-z+3/8,-1	{ 2'_1-10 \| 1/2 1/2 3/8 }
25	-x+1/2,-y+1/2,-z+7/8,-1	{ -1' \| 1/2 1/2 7/8 }
26	y+1/2,-x+1/2,-z+7/8,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 7/8 }
27	-y+1/2,x+1/2,-z+7/8,-1	{ -4'^-₀₀₁ \| 1/2 1/2 7/8 }
28	-x,y,z,-1	{ m'₁₀₀ \| 0 }
29	x,-y,z,-1	{ m'₀₁₀ \| 0 }
30	x+1/2,y+1/2,-z+7/8,-1	{ m'₀₀₁ \| 1/2 1/2 7/8 }
31	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
32	y,x,z,-1	{ m'_1-10 \| 0 }

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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	-y,x,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	x,-y,-z,+1	2₁₀₀
5	-x,y,-z,+1	2₀₁₀
6	-x,-y,z,+1	2₀₀₁
7	y,x,-z,+1	2₁₁₀
8	-y,-x,-z,+1	2_1-10
9	-x,-y,-z,+1	-1
10	y,-x,-z,+1	-4⁺₀₀₁
11	-y,x,-z,+1	-4^-₀₀₁
12	-x,y,z,+1	m₁₀₀
13	x,-y,z,+1	m₀₁₀
14	x,y,-z,+1	m₀₀₁
15	-y,-x,z,+1	m₁₁₀
16	y,x,z,+1	m_1-10
1' + set click here to show and hide
17	x,y,z,-1	1'
18	-y,x,z,-1	4'⁺₀₀₁
19	y,-x,z,-1	4'^-₀₀₁
20	x,-y,-z,-1	2'₁₀₀
21	-x,y,-z,-1	2'₀₁₀
22	-x,-y,z,-1	2'₀₀₁
23	y,x,-z,-1	2'₁₁₀
24	-y,-x,-z,-1	2'_1-10
25	-x,-y,-z,-1	-1'
26	y,-x,-z,-1	-4'⁺₀₀₁
27	-y,x,-z,-1	-4'^-₀₀₁
28	-x,y,z,-1	m'₁₀₀
29	x,-y,z,-1	m'₀₁₀
30	x,y,-z,-1	m'₀₀₁
31	-y,-x,z,-1	m'₁₁₀
32	y,x,z,-1	m'_1-10

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
U1_1	U	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	2.37	2.37
U1_2	U	0.50000	0.50000	0.12500	4	0,0,m_z	0.0	0.0	-2.23	2.23

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pd1_1	Pd	0.00000	0.50000	0.81250	8
Pd1_2	Pd	0.50000	0.00000	0.93750	4
Pd1_3	Pd	0.50000	0.00000	0.18750	4
Ge1_1	Ge	0.00000	0.00000	0.84575	4
Ge1_2	Ge	0.00000	0.00000	0.65425	4
Ge1_3	Ge	0.50000	0.50000	0.97075	4
Ge1_4	Ge	0.50000	0.50000	0.77925	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 U1_1:

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	2.37000
2	0.50000	0.50000	0.87500	0,0,-m_z	0.00000	0.00000	-2.37000
(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	-2.37000
4	0.50000	0.50000	0.37500	0,0,m_z	0.00000	0.00000	2.37000

Set of atoms in the unit cell related by symmetry with the magnetic atom U1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.12500	0,0,m_z	0.00000	0.00000	-2.23000
2	0.00000	0.00000	0.75000	0,0,-m_z	0.00000	0.00000	2.23000
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.62500	0,0,-m_z	0.00000	0.00000	2.23000
4	0.00000	0.00000	0.25000	0,0,m_z	0.00000	0.00000	-2.23000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pd1_1:

Atom	x	y	z
1	0.00000	0.50000	0.81250
2	0.50000	0.00000	0.81250
3	0.50000	0.00000	0.06250
4	0.00000	0.50000	0.06250
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.31250
6	0.50000	0.00000	0.31250
7	0.50000	0.00000	0.56250
8	0.00000	0.50000	0.56250

Set of atoms in the unit cell related by symmetry with the atom Pd1_2:

Atom	x	y	z
1	0.50000	0.00000	0.93750
2	0.00000	0.50000	0.93750
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.43750
4	0.00000	0.50000	0.43750

Set of atoms in the unit cell related by symmetry with the atom Pd1_3:

Atom	x	y	z
1	0.50000	0.00000	0.18750
2	0.00000	0.50000	0.18750
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.68750
4	0.00000	0.50000	0.68750

Set of atoms in the unit cell related by symmetry with the atom Ge1_1:

Atom	x	y	z
1	0.00000	0.00000	0.84575
2	0.50000	0.50000	0.02925
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.34575
4	0.50000	0.50000	0.52925

Set of atoms in the unit cell related by symmetry with the atom Ge1_2:

Atom	x	y	z
1	0.00000	0.00000	0.65425
2	0.50000	0.50000	0.22075
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.15425
4	0.50000	0.50000	0.72075

Set of atoms in the unit cell related by symmetry with the atom Ge1_3:

Atom	x	y	z
1	0.50000	0.50000	0.97075
2	0.00000	0.00000	0.90425
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.47075
4	0.00000	0.00000	0.40425

Set of atoms in the unit cell related by symmetry with the atom Ge1_4:

Atom	x	y	z
1	0.50000	0.50000	0.77925
2	0.00000	0.00000	0.09575
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.27925
4	0.00000	0.00000	0.59575

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
U1_1	U	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	2.37	2.37
U1_2	U	0.50000	0.50000	0.12500	4	0,0,m_z	0.0	0.0	-2.23	2.23

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