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

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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\|
Mn1	Mn	0.00000	0.00000	0.36020	6	0,0,m_z	0.0	0.0	4.55	4.55

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ti1	Ti	0.00000	0.00000	0.14780	6
O1	O	0.32000	0.02920	0.24260	18

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.36020	0,0,m_z	0.00000	0.00000	4.55000
2	0.00000	0.00000	0.63980	0,0,-m_z	0.00000	0.00000	-4.55000
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.69353	0,0,m_z	0.00000	0.00000	4.55000
4	0.66667	0.33333	0.97313	0,0,-m_z	0.00000	0.00000	-4.55000
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.02687	0,0,m_z	0.00000	0.00000	4.55000
6	0.33333	0.66667	0.30647	0,0,-m_z	0.00000	0.00000	-4.55000

Atom	x	y	z
1	0.00000	0.00000	0.14780
2	0.00000	0.00000	0.85220
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.48113
4	0.66667	0.33333	0.18553
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.81447
6	0.33333	0.66667	0.51887

Atom	x	y	z
1	0.32000	0.02920	0.24260
2	0.97080	0.29080	0.24260
3	0.70920	0.68000	0.24260
4	0.68000	0.97080	0.75740
5	0.02920	0.70920	0.75740
6	0.29080	0.32000	0.75740
(2/3,1/3,1/3) + set click here to show and hide
7	0.98667	0.36253	0.57593
8	0.63747	0.62413	0.57593
9	0.37587	0.01333	0.57593
10	0.34667	0.30413	0.09073
11	0.69587	0.04253	0.09073
12	0.95747	0.65333	0.09073
(1/3,2/3,2/3) + set click here to show and hide
13	0.65333	0.69587	0.90927
14	0.30413	0.95747	0.90927
15	0.04253	0.34667	0.90927
16	0.01333	0.63747	0.42407
17	0.36253	0.37587	0.42407
18	0.62413	0.98667	0.42407

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.36020	6	0,0,m_z	0.0	0.0	4.55	4.55

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.36020	0,0,m_z	0.00000	0.00000	4.55000
2	0.00000	0.00000	0.63980	0,0,-m_z	0.00000	0.00000	-4.55000
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.69353	0,0,m_z	0.00000	0.00000	4.55000
4	0.66667	0.33333	0.97313	0,0,-m_z	0.00000	0.00000	-4.55000
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.02687	0,0,m_z	0.00000	0.00000	4.55000
6	0.33333	0.66667	0.30647	0,0,-m_z	0.00000	0.00000	-4.55000

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