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,y,-z,+1	{ 2₀₁₀ \| 0 }
3	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
4	x+1/2,-y,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
5	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
6	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
7	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
8	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
(0,1/2,0)' + set click here to show and hide
9	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
10	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
11	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
12	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	x,-y,z,-1	{ m'₀₁₀ \| 0 }
15	x+1/2,y,-z,-1	{ m'₀₀₁ \| 1/2 0 0 }
16	-x+1/2,y,z,-1	{ m'₁₀₀ \| 1/2 0 0 }

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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	2₀₀₁
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	x,y,-z,+1	m₀₀₁
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	-x,-y,z,-1	2'₀₀₁
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	x,y,-z,-1	m'₀₀₁
16	-x,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.25270	1.	4	0,m_y,0	0.0	4.15(1)	0.0	4.15
Fe2	Fe	0.75000	0.25000	0.26900	1.	4	0,m_y,0	0.0	-3.65(1)	0.0	3.65

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Tb1	Tb	0.00000	0.00000	0.50000	1.	4
Ba1	Ba	0.00000	0.00000	0.00000	1.	4
O1	O	0.25000	0.25000	0.00190	1.	4
O2	O	0.25000	0.00000	0.68100	1.	4
O3	O	0.25000	0.00000	0.31090	1.	4
O4	O	0.01200	0.25000	0.30970	1.	8
O5	O	0.25000	0.25000	0.50000	0.01	4

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	0.25000	0.25000	0.25270	0,m_y,0	0.00000	4.15000	0.00000
2	0.75000	0.25000	0.74730	0,m_y,0	0.00000	4.15000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.25270	0,-m_y,0	0.00000	-4.15000	0.00000
4	0.75000	0.75000	0.74730	0,-m_y,0	0.00000	-4.15000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.25000	0.26900	0,m_y,0	0.00000	-3.65000	0.00000
2	0.25000	0.25000	0.73100	0,m_y,0	0.00000	-3.65000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.75000	0.75000	0.26900	0,-m_y,0	0.00000	3.65000	0.00000
4	0.25000	0.75000	0.73100	0,-m_y,0	0.00000	3.65000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Tb1:

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

Set of atoms in the unit cell related by symmetry with the atom Ba1:

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

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

Atom	x	y	z
1	0.25000	0.25000	0.00190
2	0.75000	0.25000	0.99810
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.75000	0.00190
4	0.75000	0.75000	0.99810

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

Atom	x	y	z
1	0.25000	0.00000	0.68100
2	0.75000	0.00000	0.31900
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.50000	0.68100
4	0.75000	0.50000	0.31900

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.25000	0.00000	0.31090
2	0.75000	0.00000	0.68910
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.50000	0.31090
4	0.75000	0.50000	0.68910

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.01200	0.25000	0.30970
2	0.98800	0.25000	0.69030
3	0.48800	0.75000	0.30970
4	0.51200	0.75000	0.69030
(0,1/2,0)' + set click here to show and hide
5	0.01200	0.75000	0.30970
6	0.98800	0.75000	0.69030
7	0.48800	0.25000	0.30970
8	0.51200	0.25000	0.69030

Set of atoms in the unit cell related by symmetry with the atom O5:

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.25270	4	0,m_y,0	0.0	4.15(1)	0.0	4.15
Fe2	Fe	0.75000	0.25000	0.26900	4	0,m_y,0	0.0	-3.65(1)	0.0	3.65

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