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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.00000	4	m_x,m_y,m_z	0.0	4.09(3)	0.0	4.09

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
S1	S	0.00000	0.1322(10)	0.25000	4
O1	O	0.6005(8)	0.7631(4)	0.1644(9)	8
O2	O	0.00000	0.6554(5)	0.25000	4
O3	O	0.3359(4)	0.4856(4)	0.5870(4)	8
H1	H	0.00000	0.5102(9)	0.25000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.00000	m_x,m_y,m_z	0.00000	4.09000	0.00000
2	0.75000	0.25000	0.50000	m_x,-m_y,m_z	0.00000	-4.09000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.75000	0.00000	m_x,m_y,m_z	0.00000	4.09000	0.00000
4	0.25000	0.75000	0.50000	m_x,-m_y,m_z	0.00000	-4.09000	0.00000

Atom	x	y	z
1	0.00000	0.13220	0.25000
2	0.00000	0.86780	0.75000
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3	0.50000	0.63220	0.25000
4	0.50000	0.36780	0.75000

Atom	x	y	z
1	0.60050	0.76310	0.16440
2	0.39950	0.23690	0.83560
3	0.39950	0.76310	0.33560
4	0.60050	0.23690	0.66440
(1/2,1/2,0) + set click here to show and hide
5	0.10050	0.26310	0.16440
6	0.89950	0.73690	0.83560
7	0.89950	0.26310	0.33560
8	0.10050	0.73690	0.66440

Atom	x	y	z
1	0.00000	0.65540	0.25000
2	0.00000	0.34460	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.15540	0.25000
4	0.50000	0.84460	0.75000

Atom	x	y	z
1	0.33590	0.48560	0.58700
2	0.66410	0.51440	0.41300
3	0.66410	0.48560	0.91300
4	0.33590	0.51440	0.08700
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5	0.83590	0.98560	0.58700
6	0.16410	0.01440	0.41300
7	0.16410	0.98560	0.91300
8	0.83590	0.01440	0.08700

Atom	x	y	z
1	0.00000	0.51020	0.25000
2	0.00000	0.48980	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.01020	0.25000
4	0.50000	0.98980	0.75000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.00000	4	m_x,m_y,m_z	0.0	4.09(3)	0.0	4.09

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.00000	m_x,m_y,m_z	0.00000	4.09000	0.00000
2	0.75000	0.25000	0.50000	m_x,-m_y,m_z	0.00000	-4.09000	0.00000
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3	0.75000	0.75000	0.00000	m_x,m_y,m_z	0.00000	4.09000	0.00000
4	0.25000	0.75000	0.50000	m_x,-m_y,m_z	0.00000	-4.09000	0.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	3

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