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,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
7	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
8	x,y,-z,+1	{ m₀₀₁ \| 0 }
9	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
10	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
11	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
12	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
13	-x,y,z,-1	{ m'₁₀₀ \| 0 }
14	x,-y,z,-1	{ m'₀₁₀ \| 0 }
15	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
16	y,x,z,-1	{ m'_1-10 \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
17	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
18	-y+1/2,x+1/2,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 1/2 1/2 }
19	y+1/2,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 1/2 1/2 1/2 }
20	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
21	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
22	y+1/2,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 1/2 1/2 }
23	-y+1/2,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 1/2 1/2 1/2 }
24	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
25	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
26	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
27	y+1/2,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 }
28	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 1/2 }
29	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
30	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
31	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
32	y+1/2,x+1/2,z+1/2,-1	{ m'_1-10 \| 1/2 1/2 1/2 }

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Symmetry operations of the magnetic point group in the setting used:

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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	2	0,0,m_z	0.0	0.0	2.55(10)	2.55
U1_2	U	0.50000	0.50000	0.16667	4	0,0,m_z	0.0	0.0	-1.275	1.27

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pd1_1	Pd	0.00000	0.50000	0.08333	8
Pd1_2	Pd	0.50000	0.00000	0.25000	4
Si1_1	Si	0.00000	0.00000	0.12720	4
Si1_2	Si	0.50000	0.50000	0.29387	4
Si1_3	Si	0.50000	0.50000	0.03947	4

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	2.55000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	2.55000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.16667	0,0,m_z	0.00000	0.00000	-1.27500
2	0.50000	0.50000	0.83333	0,0,m_z	0.00000	0.00000	-1.27500
(1/2,1/2,1/2) + set click here to show and hide
3	0.00000	0.00000	0.66667	0,0,m_z	0.00000	0.00000	-1.27500
4	0.00000	0.00000	0.33333	0,0,m_z	0.00000	0.00000	-1.27500

Atom	x	y	z
1	0.00000	0.50000	0.08333
2	0.50000	0.00000	0.08333
3	0.00000	0.50000	0.91667
4	0.50000	0.00000	0.91667
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.58333
6	0.00000	0.50000	0.58333
7	0.50000	0.00000	0.41667
8	0.00000	0.50000	0.41667

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

Atom	x	y	z
1	0.00000	0.00000	0.12720
2	0.00000	0.00000	0.87280
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.62720
4	0.50000	0.50000	0.37280

Atom	x	y	z
1	0.50000	0.50000	0.29387
2	0.50000	0.50000	0.70613
(1/2,1/2,1/2) + set click here to show and hide
3	0.00000	0.00000	0.79387
4	0.00000	0.00000	0.20613

Atom	x	y	z
1	0.50000	0.50000	0.03947
2	0.50000	0.50000	0.96053
(1/2,1/2,1/2) + set click here to show and hide
3	0.00000	0.00000	0.53947
4	0.00000	0.00000	0.46053

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	2	0,0,m_z	0.0	0.0	2.55(10)	2.55
U1_2	U	0.50000	0.50000	0.16667	4	0,0,m_z	0.0	0.0	-1.275	1.27

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	2.55000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	2.55000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.16667	0,0,m_z	0.00000	0.00000	-1.27500
2	0.50000	0.50000	0.83333	0,0,m_z	0.00000	0.00000	-1.27500
(1/2,1/2,1/2) + set click here to show and hide
3	0.00000	0.00000	0.66667	0,0,m_z	0.00000	0.00000	-1.27500
4	0.00000	0.00000	0.33333	0,0,m_z	0.00000	0.00000	-1.27500

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