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	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	-x+y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
5	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
6	x,x-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(1/3,2/3,2/3) + set click here to show and hide
7	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
8	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
9	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
10	-x+y+1/3,y+2/3,z+1/6,+1	{ m₁₀₀ \| 1/3 2/3 1/6 }
11	-y+1/3,-x+2/3,z+1/6,+1	{ m₁₁₀ \| 1/3 2/3 1/6 }
12	x+1/3,x-y+2/3,z+1/6,+1	{ m₀₁₀ \| 1/3 2/3 1/6 }
(2/3,1/3,1/3) + set click here to show and hide
13	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
14	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
15	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
16	-x+y+2/3,y+1/3,z+5/6,+1	{ m₁₀₀ \| 2/3 1/3 5/6 }
17	-y+2/3,-x+1/3,z+5/6,+1	{ m₁₁₀ \| 2/3 1/3 5/6 }
18	x+2/3,x-y+1/3,z+5/6,+1	{ m₀₁₀ \| 2/3 1/3 5/6 }

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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\|
Ni	Ni	0.00000	0.00000	0.00000	6	0,0,m_z	0.0	0.0	1.69	1.69

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pb	Pb	0.00000	0.00000	0.28980	6
O	O	0.04680	0.35790	0.06870	18

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	1.69000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-1.69000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.69000
4	0.33333	0.66667	0.16667	0,0,-m_z	0.00000	0.00000	-1.69000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.69000
6	0.66667	0.33333	0.83333	0,0,-m_z	0.00000	0.00000	-1.69000

Atom	x	y	z
1	0.00000	0.00000	0.28980
2	0.00000	0.00000	0.78980
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.95647
4	0.33333	0.66667	0.45647
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.62313
6	0.66667	0.33333	0.12313

Atom	x	y	z
1	0.04680	0.35790	0.06870
2	0.64210	0.68890	0.06870
3	0.31110	0.95320	0.06870
4	0.31110	0.35790	0.56870
5	0.64210	0.95320	0.56870
6	0.04680	0.68890	0.56870
(1/3,2/3,2/3) + set click here to show and hide
7	0.38013	0.02457	0.73537
8	0.97543	0.35557	0.73537
9	0.64443	0.61987	0.73537
10	0.64443	0.02457	0.23537
11	0.97543	0.61987	0.23537
12	0.38013	0.35557	0.23537
(2/3,1/3,1/3) + set click here to show and hide
13	0.71347	0.69123	0.40203
14	0.30877	0.02223	0.40203
15	0.97777	0.28653	0.40203
16	0.97777	0.69123	0.90203
17	0.30877	0.28653	0.90203
18	0.71347	0.02223	0.90203

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni	Ni	0.00000	0.00000	0.00000	6	0,0,m_z	0.0	0.0	1.69	1.69

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	1.69000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-1.69000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.69000
4	0.33333	0.66667	0.16667	0,0,-m_z	0.00000	0.00000	-1.69000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.69000
6	0.66667	0.33333	0.83333	0,0,-m_z	0.00000	0.00000	-1.69000

label	dim. small irrep	dim. full irrep	action
mGM1	1	1	primary

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