MAGNDATA - Collection of Magnetic Structures

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+3/4,y+1/2,-z,+1	{ 2₀₁₀ \| 3/4 1/2 0 }
3	x,y,-z,+1	{ m₀₀₁ \| 0 }
4	-x+3/4,y+1/2,z,+1	{ m₁₀₀ \| 3/4 1/2 0 }
(1/2,0,1/2) + set click here to show and hide
5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+1/4,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/4 1/2 1/2 }
7	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
8	-x+1/4,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/4 1/2 1/2 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-x+3/4,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 3/4 1/2 1/2 }
11	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
12	-x+3/4,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 3/4 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
13	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
14	-x+1/4,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/4 1/2 0 }
15	x+1/2,y,-z,-1	{ m'₀₀₁ \| 1/2 0 0 }
16	-x+1/4,y+1/2,z,-1	{ m'₁₀₀ \| 1/4 1/2 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	x,y,-z,+1	m₀₀₁
4	-x,y,z,+1	m₁₀₀
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	m'₀₀₁
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.75000	8	m_x,m_y,0	0.0	0.00
Fe2_1	Fe	0.12845	0.08930	0.00000	8	0,0,m_z	3.01(1)	3.01
Fe2_2	Fe	0.87155	0.91070	0.00000	8	0,0,m_z	3.01	3.01

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1_1	Sr	0.04445	0.35190	0.75000	8
Sr1_2	Sr	0.95555	0.64810	0.75000	8
Se1_1	Se	0.20000	0.33270	0.00000	8
Se1_2	Se	0.80000	0.66730	0.00000	8
O1	O	0.00000	0.50000	0.00000	8
O2_1	O	0.11390	0.08620	0.75000	8
O2_2	O	0.88610	0.91380	0.75000	8

[Show all atoms in unit cell and their moment relations]

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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.75000	m_x,m_y,0	0.00000	0.00000	0.00000
2	0.75000	0.50000	0.25000	-m_x,m_y,0	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.25000	m_x,m_y,0	0.00000	0.00000	0.00000
4	0.25000	0.50000	0.75000	-m_x,m_y,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.25000	-m_x,-m_y,0	0.00000	0.00000	0.00000
6	0.75000	0.50000	0.75000	m_x,-m_y,0	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.75000	-m_x,-m_y,0	0.00000	0.00000	0.00000
8	0.25000	0.50000	0.25000	m_x,-m_y,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12845	0.08930	0.00000	0,0,m_z	0.00000	0.00000	3.01000
2	0.62155	0.58930	0.00000	0,0,-m_z	0.00000	0.00000	-3.01000
(1/2,0,1/2) + set click here to show and hide
3	0.62845	0.08930	0.50000	0,0,m_z	0.00000	0.00000	3.01000
4	0.12155	0.58930	0.50000	0,0,-m_z	0.00000	0.00000	-3.01000
(0,0,1/2)' + set click here to show and hide
5	0.12845	0.08930	0.50000	0,0,-m_z	0.00000	0.00000	-3.01000
6	0.62155	0.58930	0.50000	0,0,m_z	0.00000	0.00000	3.01000
(1/2,0,0)' + set click here to show and hide
7	0.62845	0.08930	0.00000	0,0,-m_z	0.00000	0.00000	-3.01000
8	0.12155	0.58930	0.00000	0,0,m_z	0.00000	0.00000	3.01000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87155	0.91070	0.00000	0,0,m_z	0.00000	0.00000	3.01000
2	0.87845	0.41070	0.00000	0,0,-m_z	0.00000	0.00000	-3.01000
(1/2,0,1/2) + set click here to show and hide
3	0.37155	0.91070	0.50000	0,0,m_z	0.00000	0.00000	3.01000
4	0.37845	0.41070	0.50000	0,0,-m_z	0.00000	0.00000	-3.01000
(0,0,1/2)' + set click here to show and hide
5	0.87155	0.91070	0.50000	0,0,-m_z	0.00000	0.00000	-3.01000
6	0.87845	0.41070	0.50000	0,0,m_z	0.00000	0.00000	3.01000
(1/2,0,0)' + set click here to show and hide
7	0.37155	0.91070	0.00000	0,0,-m_z	0.00000	0.00000	-3.01000
8	0.37845	0.41070	0.00000	0,0,m_z	0.00000	0.00000	3.01000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1_1:

Atom	x	y	z
1	0.04445	0.35190	0.75000
2	0.70555	0.85190	0.25000
(1/2,0,1/2) + set click here to show and hide
3	0.54445	0.35190	0.25000
4	0.20555	0.85190	0.75000
(0,0,1/2)' + set click here to show and hide
5	0.04445	0.35190	0.25000
6	0.70555	0.85190	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.54445	0.35190	0.75000
8	0.20555	0.85190	0.25000

Set of atoms in the unit cell related by symmetry with the atom Sr1_2:

Atom	x	y	z
1	0.95555	0.64810	0.75000
2	0.79445	0.14810	0.25000
(1/2,0,1/2) + set click here to show and hide
3	0.45555	0.64810	0.25000
4	0.29445	0.14810	0.75000
(0,0,1/2)' + set click here to show and hide
5	0.95555	0.64810	0.25000
6	0.79445	0.14810	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.45555	0.64810	0.75000
8	0.29445	0.14810	0.25000

Set of atoms in the unit cell related by symmetry with the atom Se1_1:

Atom	x	y	z
1	0.20000	0.33270	0.00000
2	0.55000	0.83270	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.70000	0.33270	0.50000
4	0.05000	0.83270	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.20000	0.33270	0.50000
6	0.55000	0.83270	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.70000	0.33270	0.00000
8	0.05000	0.83270	0.00000

Set of atoms in the unit cell related by symmetry with the atom Se1_2:

Atom	x	y	z
1	0.80000	0.66730	0.00000
2	0.95000	0.16730	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.30000	0.66730	0.50000
4	0.45000	0.16730	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.80000	0.66730	0.50000
6	0.95000	0.16730	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.30000	0.66730	0.00000
8	0.45000	0.16730	0.00000

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

Atom	x	y	z
1	0.00000	0.50000	0.00000
2	0.75000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000
4	0.25000	0.00000	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.50000
6	0.75000	0.00000	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.50000	0.00000
8	0.25000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.11390	0.08620	0.75000
2	0.63610	0.58620	0.25000
(1/2,0,1/2) + set click here to show and hide
3	0.61390	0.08620	0.25000
4	0.13610	0.58620	0.75000
(0,0,1/2)' + set click here to show and hide
5	0.11390	0.08620	0.25000
6	0.63610	0.58620	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.61390	0.08620	0.75000
8	0.13610	0.58620	0.25000

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.88610	0.91380	0.75000
2	0.86390	0.41380	0.25000
(1/2,0,1/2) + set click here to show and hide
3	0.38610	0.91380	0.25000
4	0.36390	0.41380	0.75000
(0,0,1/2)' + set click here to show and hide
5	0.88610	0.91380	0.25000
6	0.86390	0.41380	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.38610	0.91380	0.75000
8	0.36390	0.41380	0.25000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.75000	8	m_x,m_y,0	0.0	0.00
Fe2_1	Fe	0.12845	0.08930	0.00000	8	0,0,m_z	3.01(1)	3.01
Fe2_2	Fe	0.87155	0.91070	0.00000	8	0,0,m_z	3.01	3.01

[Show all magnetic atoms in unit cell and their moment relations]

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

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.75000	m_x,m_y,0	0.00000	0.00000	0.00000
2	0.75000	0.50000	0.25000	-m_x,m_y,0	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.25000	m_x,m_y,0	0.00000	0.00000	0.00000
4	0.25000	0.50000	0.75000	-m_x,m_y,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.25000	-m_x,-m_y,0	0.00000	0.00000	0.00000
6	0.75000	0.50000	0.75000	m_x,-m_y,0	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.75000	-m_x,-m_y,0	0.00000	0.00000	0.00000
8	0.25000	0.50000	0.25000	m_x,-m_y,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12845	0.08930	0.00000	0,0,m_z	0.00000	0.00000	3.01000
2	0.62155	0.58930	0.00000	0,0,-m_z	0.00000	0.00000	-3.01000
(1/2,0,1/2) + set click here to show and hide
3	0.62845	0.08930	0.50000	0,0,m_z	0.00000	0.00000	3.01000
4	0.12155	0.58930	0.50000	0,0,-m_z	0.00000	0.00000	-3.01000
(0,0,1/2)' + set click here to show and hide
5	0.12845	0.08930	0.50000	0,0,-m_z	0.00000	0.00000	-3.01000
6	0.62155	0.58930	0.50000	0,0,m_z	0.00000	0.00000	3.01000
(1/2,0,0)' + set click here to show and hide
7	0.62845	0.08930	0.00000	0,0,-m_z	0.00000	0.00000	-3.01000
8	0.12155	0.58930	0.00000	0,0,m_z	0.00000	0.00000	3.01000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87155	0.91070	0.00000	0,0,m_z	0.00000	0.00000	3.01000
2	0.87845	0.41070	0.00000	0,0,-m_z	0.00000	0.00000	-3.01000
(1/2,0,1/2) + set click here to show and hide
3	0.37155	0.91070	0.50000	0,0,m_z	0.00000	0.00000	3.01000
4	0.37845	0.41070	0.50000	0,0,-m_z	0.00000	0.00000	-3.01000
(0,0,1/2)' + set click here to show and hide
5	0.87155	0.91070	0.50000	0,0,-m_z	0.00000	0.00000	-3.01000
6	0.87845	0.41070	0.50000	0,0,m_z	0.00000	0.00000	3.01000
(1/2,0,0)' + set click here to show and hide
7	0.37155	0.91070	0.00000	0,0,-m_z	0.00000	0.00000	-3.01000
8	0.37845	0.41070	0.00000	0,0,m_z	0.00000	0.00000	3.01000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes
mU2	2	2	special	primary	4

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

Sr₂Fe₃Se₂O₃ (#1.463)

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

Sr2Fe3Se2O3 (#1.463)

Sr₂Fe₃Se₂O₃ (#1.463)