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+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
4	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
(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,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
7	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
8	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
(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+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
11	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
12	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
(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,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
15	-x,-y,-z,-1	{ -1' \| 0 }
16	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

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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	-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

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.05720	0.25000	0.29445	1.0	8	m_x,0,m_z	1.1	0.0	-1.5	2.13
Fe2	Fe	0.36630	0.25000	0.25300	0.172	8	m_x,0,m_z	-1.35	0.0	1.8	2.58

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ta1	Ta	0.33301	0.25000	0.09972	1.0	8
Te1	Te	0.03039	0.25000	0.15677	1.0	8
Te2	Te	0.14116	0.25000	0.00138	1.0	8
Te3	Te	0.24179	0.25000	0.32950	1.0	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.05720	0.25000	0.29445	m_x,0,m_z	1.10000	0.00000	-1.50000
2	0.44280	0.75000	0.20555	-m_x,0,-m_z	-1.10000	0.00000	1.50000
(1/2,0,1/2) + set click here to show and hide
3	0.55720	0.25000	0.79445	m_x,0,m_z	1.10000	0.00000	-1.50000
4	0.94280	0.75000	0.70555	-m_x,0,-m_z	-1.10000	0.00000	1.50000
(0,0,1/2)' + set click here to show and hide
5	0.05720	0.25000	0.79445	-m_x,0,-m_z	-1.10000	0.00000	1.50000
6	0.44280	0.75000	0.70555	m_x,0,m_z	1.10000	0.00000	-1.50000
(1/2,0,0)' + set click here to show and hide
7	0.55720	0.25000	0.29445	-m_x,0,-m_z	-1.10000	0.00000	1.50000
8	0.94280	0.75000	0.20555	m_x,0,m_z	1.10000	0.00000	-1.50000

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	0.36630	0.25000	0.25300	m_x,0,m_z	-1.35000	0.00000	1.80000
2	0.13370	0.75000	0.24700	-m_x,0,-m_z	1.35000	0.00000	-1.80000
(1/2,0,1/2) + set click here to show and hide
3	0.86630	0.25000	0.75300	m_x,0,m_z	-1.35000	0.00000	1.80000
4	0.63370	0.75000	0.74700	-m_x,0,-m_z	1.35000	0.00000	-1.80000
(0,0,1/2)' + set click here to show and hide
5	0.36630	0.25000	0.75300	-m_x,0,-m_z	1.35000	0.00000	-1.80000
6	0.13370	0.75000	0.74700	m_x,0,m_z	-1.35000	0.00000	1.80000
(1/2,0,0)' + set click here to show and hide
7	0.86630	0.25000	0.25300	-m_x,0,-m_z	1.35000	0.00000	-1.80000
8	0.63370	0.75000	0.24700	m_x,0,m_z	-1.35000	0.00000	1.80000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ta1:

Atom	x	y	z
1	0.33301	0.25000	0.09972
2	0.16699	0.75000	0.40028
(1/2,0,1/2) + set click here to show and hide
3	0.83301	0.25000	0.59972
4	0.66699	0.75000	0.90028
(0,0,1/2)' + set click here to show and hide
5	0.33301	0.25000	0.59972
6	0.16699	0.75000	0.90028
(1/2,0,0)' + set click here to show and hide
7	0.83301	0.25000	0.09972
8	0.66699	0.75000	0.40028

Set of atoms in the unit cell related by symmetry with the atom Te1:

Atom	x	y	z
1	0.03039	0.25000	0.15677
2	0.46961	0.75000	0.34323
(1/2,0,1/2) + set click here to show and hide
3	0.53039	0.25000	0.65677
4	0.96961	0.75000	0.84323
(0,0,1/2)' + set click here to show and hide
5	0.03039	0.25000	0.65677
6	0.46961	0.75000	0.84323
(1/2,0,0)' + set click here to show and hide
7	0.53039	0.25000	0.15677
8	0.96961	0.75000	0.34323

Set of atoms in the unit cell related by symmetry with the atom Te2:

Atom	x	y	z
1	0.14116	0.25000	0.00138
2	0.35884	0.75000	0.49862
(1/2,0,1/2) + set click here to show and hide
3	0.64116	0.25000	0.50138
4	0.85884	0.75000	0.99862
(0,0,1/2)' + set click here to show and hide
5	0.14116	0.25000	0.50138
6	0.35884	0.75000	0.99862
(1/2,0,0)' + set click here to show and hide
7	0.64116	0.25000	0.00138
8	0.85884	0.75000	0.49862

Set of atoms in the unit cell related by symmetry with the atom Te3:

Atom	x	y	z
1	0.24179	0.25000	0.32950
2	0.25821	0.75000	0.17050
(1/2,0,1/2) + set click here to show and hide
3	0.74179	0.25000	0.82950
4	0.75821	0.75000	0.67050
(0,0,1/2)' + set click here to show and hide
5	0.24179	0.25000	0.82950
6	0.25821	0.75000	0.67050
(1/2,0,0)' + set click here to show and hide
7	0.74179	0.25000	0.32950
8	0.75821	0.75000	0.17050

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.05720	0.25000	0.29445	1.0	8	m_x,0,m_z	1.1	0.0	-1.5	2.13
Fe2	Fe	0.36630	0.25000	0.25300	0.172	8	m_x,0,m_z	-1.35	0.0	1.8	2.58

label	dim. small irrep	dim. full irrep	action
mA1-	1	1	primary

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