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 }
(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+1/3,-y+2/3,-z+2/3,-1	{ -1' \| 1/3 2/3 2/3 }
11	y+1/3,-x+y+2/3,-z+2/3,-1	{ -3'⁺₀₀₁ \| 1/3 2/3 2/3 }
12	x-y+1/3,x+2/3,-z+2/3,-1	{ -3'^-₀₀₁ \| 1/3 2/3 2/3 }
(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+2/3,-y+1/3,-z+1/3,-1	{ -1' \| 2/3 1/3 1/3 }
17	y+2/3,-x+y+1/3,-z+1/3,-1	{ -3'⁺₀₀₁ \| 2/3 1/3 1/3 }
18	x-y+2/3,x+1/3,-z+1/3,-1	{ -3'^-₀₀₁ \| 2/3 1/3 1/3 }

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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:

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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	0.1604(3)	6	0,0,m_z	0.0	0.0	2.53(2)	2.53

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Mg1	Mg	0.00000	0.00000	0.3587(2)	6
O1	O	0.3482(4)	0.0378(3)	0.08834(9)	18

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.16040	0,0,m_z	0.00000	0.00000	2.53000
2	0.00000	0.00000	0.83960	0,0,-m_z	0.00000	0.00000	-2.53000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.82707	0,0,m_z	0.00000	0.00000	2.53000
4	0.33333	0.66667	0.50627	0,0,-m_z	0.00000	0.00000	-2.53000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.49373	0,0,m_z	0.00000	0.00000	2.53000
6	0.66667	0.33333	0.17293	0,0,-m_z	0.00000	0.00000	-2.53000

Atom	x	y	z
1	0.00000	0.00000	0.35870
2	0.00000	0.00000	0.64130
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.02537
4	0.33333	0.66667	0.30797
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.69203
6	0.66667	0.33333	0.97463

Atom	x	y	z
1	0.34820	0.03780	0.08834
2	0.96220	0.31040	0.08834
3	0.68960	0.65180	0.08834
4	0.65180	0.96220	0.91166
5	0.03780	0.68960	0.91166
6	0.31040	0.34820	0.91166
(1/3,2/3,2/3) + set click here to show and hide
7	0.68153	0.70447	0.75501
8	0.29553	0.97707	0.75501
9	0.02293	0.31847	0.75501
10	0.98513	0.62887	0.57833
11	0.37113	0.35627	0.57833
12	0.64373	0.01487	0.57833
(2/3,1/3,1/3) + set click here to show and hide
13	0.01487	0.37113	0.42167
14	0.62887	0.64373	0.42167
15	0.35627	0.98513	0.42167
16	0.31847	0.29553	0.24499
17	0.70447	0.02293	0.24499
18	0.97707	0.68153	0.24499

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.1604(3)	6	0,0,m_z	0.0	0.0	2.53(2)	2.53

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.16040	0,0,m_z	0.00000	0.00000	2.53000
2	0.00000	0.00000	0.83960	0,0,-m_z	0.00000	0.00000	-2.53000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.82707	0,0,m_z	0.00000	0.00000	2.53000
4	0.33333	0.66667	0.50627	0,0,-m_z	0.00000	0.00000	-2.53000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.49373	0,0,m_z	0.00000	0.00000	2.53000
6	0.66667	0.33333	0.17293	0,0,-m_z	0.00000	0.00000	-2.53000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1-	1	1	primary	1

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