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	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

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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:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

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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	0.00000	4	m_x,m_y,m_z	1.0(1)	0.4(1)	3.70(5)	3.53

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Na1	Na	0.25000	0.00000	0.50000	4
F1	F	0.43900	0.76700	0.66000	8
F2	F	0.15200	0.65100	0.61500	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	1.00000	0.40000	3.70000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-1.00000	0.40000	-3.70000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.00000	-0.40000	-3.70000
4	0.50000	0.50000	0.50000	m_x,-m_y,m_z	1.00000	-0.40000	3.70000

Atom	x	y	z
1	0.25000	0.00000	0.50000
2	0.75000	0.50000	0.00000
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3	0.75000	0.00000	0.50000
4	0.25000	0.50000	0.00000

Atom	x	y	z
1	0.43900	0.76700	0.66000
2	0.56100	0.26700	0.84000
3	0.56100	0.23300	0.34000
4	0.43900	0.73300	0.16000
(1/2,0,0)' + set click here to show and hide
5	0.93900	0.76700	0.66000
6	0.06100	0.26700	0.84000
7	0.06100	0.23300	0.34000
8	0.93900	0.73300	0.16000

Atom	x	y	z
1	0.15200	0.65100	0.61500
2	0.84800	0.15100	0.88500
3	0.84800	0.34900	0.38500
4	0.15200	0.84900	0.11500
(1/2,0,0)' + set click here to show and hide
5	0.65200	0.65100	0.61500
6	0.34800	0.15100	0.88500
7	0.34800	0.34900	0.38500
8	0.65200	0.84900	0.11500

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	1.0(1)	0.4(1)	3.70(5)	3.53

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	1.00000	0.40000	3.70000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-1.00000	0.40000	-3.70000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.00000	-0.40000	-3.70000
4	0.50000	0.50000	0.50000	m_x,-m_y,m_z	1.00000	-0.40000	3.70000

label	dim. small irrep	dim. full irrep	action	number of modes
mY1+	1	1	primary	3

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