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+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
3	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
7	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
8	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }

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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	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,y,-z,-1	2'₀₁₀
8	-x,-y,z,-1	2'₀₀₁

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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(5)	4	m_x,m_y,0	0.3(9)	3.14(2)	0.0	3.15

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.8342(3)	0.3334(2)	0.2469(2)	8
Si1	Si	0.6370(5)	0.1375(3)	0.0307(2)	8
O1	O	0.00000	0.50000	0.4161(3)	4
O2	O	0.6404(4)	0.1396(2)	0.3752(2)	8
O3_1	O	0.0779(3)	0.1958(2)	0.3954(2)	8
O3_2	O	0.1968(3)	0.9218(2)	0.6045(2)	8

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1:

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,0	0.30000	3.14000	0.00000
2	0.50000	0.50000	0.00000	m_x,-m_y,0	0.30000	-3.14000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	-m_x,-m_y,0	-0.30000	-3.14000	0.00000
4	0.50000	0.50000	0.50000	-m_x,m_y,0	-0.30000	3.14000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.83420	0.33340	0.24690
2	0.33420	0.16660	0.75310
3	0.66580	0.83340	0.25310
4	0.16580	0.66660	0.74690
(0,0,1/2)' + set click here to show and hide
5	0.83420	0.33340	0.74690
6	0.33420	0.16660	0.25310
7	0.66580	0.83340	0.75310
8	0.16580	0.66660	0.24690

Set of atoms in the unit cell related by symmetry with the atom Si1:

Atom	x	y	z
1	0.63700	0.13750	0.03070
2	0.13700	0.36250	0.96930
3	0.86300	0.63750	0.46930
4	0.36300	0.86250	0.53070
(0,0,1/2)' + set click here to show and hide
5	0.63700	0.13750	0.53070
6	0.13700	0.36250	0.46930
7	0.86300	0.63750	0.96930
8	0.36300	0.86250	0.03070

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.00000	0.50000	0.41610
2	0.50000	0.00000	0.58390
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3	0.00000	0.50000	0.91610
4	0.50000	0.00000	0.08390

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.64040	0.13960	0.37520
2	0.14040	0.36040	0.62480
3	0.85960	0.63960	0.12480
4	0.35960	0.86040	0.87520
(0,0,1/2)' + set click here to show and hide
5	0.64040	0.13960	0.87520
6	0.14040	0.36040	0.12480
7	0.85960	0.63960	0.62480
8	0.35960	0.86040	0.37520

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.07790	0.19580	0.39540
2	0.57790	0.30420	0.60460
3	0.42210	0.69580	0.10460
4	0.92210	0.80420	0.89540
(0,0,1/2)' + set click here to show and hide
5	0.07790	0.19580	0.89540
6	0.57790	0.30420	0.10460
7	0.42210	0.69580	0.60460
8	0.92210	0.80420	0.39540

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.19680	0.92180	0.60450
2	0.69680	0.57820	0.39550
3	0.30320	0.42180	0.89550
4	0.80320	0.07820	0.10450
(0,0,1/2)' + set click here to show and hide
5	0.19680	0.92180	0.10450
6	0.69680	0.57820	0.89550
7	0.30320	0.42180	0.39550
8	0.80320	0.07820	0.60450

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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(5)	4	m_x,m_y,0	0.3(9)	3.14(2)	0.0	3.15

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ5	2	2	special	primary	2

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