MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/6,-y+5/6,-z,+1	{ -1 \| 1/6 5/6 0 }
3	y+1/6,x+5/6,-z,-1	{ 2'₁₁₀ \| 1/6 5/6 0 }
4	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
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5	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
6	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
7	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
8	-y+1/3,-x+2/3,z,-1	{ m'₁₁₀ \| 1/3 2/3 0 }
(2/3,1/3,0) + set click here to show and hide
9	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
10	-x+5/6,-y+1/6,-z,+1	{ -1 \| 5/6 1/6 0 }
11	y+5/6,x+1/6,-z,-1	{ 2'₁₁₀ \| 5/6 1/6 0 }
12	-y+2/3,-x+1/3,z,-1	{ m'₁₁₀ \| 2/3 1/3 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	y,x,-z,-1	2'₁₁₀
4	-y,-x,z,-1	m'₁₁₀

Magnetic atoms:

Label	Atom type	y	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1_1	Fe	0.00000	6	m_x,-m_x,m_z	-1.	1.00
Fe1_2	Fe	0.16667	6	m_x,-m_x,m_z	1.	1.00
Fe1_3	Fe	0.33333	12	m_x,m_y,m_z	1.	1.00
Fe1_4	Fe	0.50000	6	m_x,-m_x,m_z	1.	1.00
Fe1_5	Fe	0.83333	6	m_x,-m_x,m_z	-1.	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
I1_1	I	0.05556	0.11111	0.25000	12
I1_2	I	0.11111	0.05556	0.75000	12
I1_3	I	0.05556	0.27778	0.25000	12
I1_4	I	0.05556	0.44444	0.25000	12
I1_5	I	0.05556	0.94444	0.25000	6
I1_6	I	0.22222	0.11111	0.25000	12
I1_7	I	0.22222	0.77778	0.25000	6

[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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000
2	0.16667	0.83333	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000
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3	0.33333	0.66667	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000
4	0.50000	0.50000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.33333	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000
6	0.83333	0.16667	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.16667	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000
2	0.16667	0.66666	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000
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3	0.33333	0.83334	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000
4	0.50000	0.33333	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.50000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000
6	0.83333	0.00000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33333	0.00000	m_x,m_y,m_z	0.00000	0.00000	1.00000
2	0.16667	0.50000	0.00000	m_x,m_y,m_z	0.00000	0.00000	1.00000
3	0.50000	0.83333	0.00000	-m_y,-m_x,m_z	0.00000	0.00000	1.00000
4	0.66667	0.00000	0.00000	-m_y,-m_x,m_z	0.00000	0.00000	1.00000
(1/3,2/3,0) + set click here to show and hide
5	0.33333	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.00000	1.00000
6	0.50000	0.16667	0.00000	m_x,m_y,m_z	0.00000	0.00000	1.00000
7	0.83333	0.50000	0.00000	-m_y,-m_x,m_z	0.00000	0.00000	1.00000
8	0.00000	0.66667	0.00000	-m_y,-m_x,m_z	0.00000	0.00000	1.00000
(2/3,1/3,0) + set click here to show and hide
9	0.66667	0.66666	0.00000	m_x,m_y,m_z	0.00000	0.00000	1.00000
10	0.83333	0.83334	0.00000	m_x,m_y,m_z	0.00000	0.00000	1.00000
11	0.16666	0.16667	0.00000	-m_y,-m_x,m_z	0.00000	0.00000	1.00000
12	0.33334	0.33333	0.00000	-m_y,-m_x,m_z	0.00000	0.00000	1.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000
2	0.16667	0.33333	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.16667	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000
4	0.50000	0.00000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.83333	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000
6	0.83333	0.66667	0.00000	m_x,-m_x,m_z	0.00000	0.00000	1.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.83333	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000
2	0.16667	0.00000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.50000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000
4	0.50000	0.66667	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.16666	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000
6	0.83333	0.33333	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom I1_1:

Atom	x	y	z
1	0.05556	0.11111	0.25000
2	0.11111	0.72222	0.75000
3	0.27778	0.88889	0.75000
4	0.88889	0.94444	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.38889	0.77778	0.25000
6	0.44444	0.38889	0.75000
7	0.61111	0.55556	0.75000
8	0.22222	0.61111	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.72223	0.44444	0.25000
10	0.77777	0.05556	0.75000
11	0.94444	0.22223	0.75000
12	0.55556	0.27777	0.25000

Set of atoms in the unit cell related by symmetry with the atom I1_2:

Atom	x	y	z
1	0.11111	0.05556	0.75000
2	0.05556	0.77777	0.25000
3	0.22223	0.94444	0.25000
4	0.94444	0.88889	0.75000
(1/3,2/3,0) + set click here to show and hide
5	0.44444	0.72223	0.75000
6	0.38889	0.44444	0.25000
7	0.55556	0.61111	0.25000
8	0.27777	0.55556	0.75000
(2/3,1/3,0) + set click here to show and hide
9	0.77778	0.38889	0.75000
10	0.72222	0.11111	0.25000
11	0.88889	0.27778	0.25000
12	0.61111	0.22222	0.75000

Set of atoms in the unit cell related by symmetry with the atom I1_3:

Atom	x	y	z
1	0.05556	0.27778	0.25000
2	0.11111	0.55555	0.75000
3	0.44445	0.88889	0.75000
4	0.72222	0.94444	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.38889	0.94445	0.25000
6	0.44444	0.22222	0.75000
7	0.77778	0.55556	0.75000
8	0.05555	0.61111	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.72223	0.61111	0.25000
10	0.77777	0.88889	0.75000
11	0.11111	0.22223	0.75000
12	0.38889	0.27777	0.25000

Set of atoms in the unit cell related by symmetry with the atom I1_4:

Atom	x	y	z
1	0.05556	0.44444	0.25000
2	0.11111	0.38889	0.75000
3	0.61111	0.88889	0.75000
4	0.55556	0.94444	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.38889	0.11111	0.25000
6	0.44444	0.05556	0.75000
7	0.94444	0.55556	0.75000
8	0.88889	0.61111	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.72223	0.77777	0.25000
10	0.77777	0.72223	0.75000
11	0.27777	0.22223	0.75000
12	0.22223	0.27777	0.25000

Set of atoms in the unit cell related by symmetry with the atom I1_5:

Atom	x	y	z
1	0.05556	0.94444	0.25000
2	0.11111	0.88889	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.38889	0.61111	0.25000
4	0.44444	0.55556	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.72223	0.27777	0.25000
6	0.77777	0.22223	0.75000

Set of atoms in the unit cell related by symmetry with the atom I1_6:

Atom	x	y	z
1	0.22222	0.11111	0.25000
2	0.94445	0.72222	0.75000
3	0.27778	0.05555	0.75000
4	0.88889	0.77778	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.55555	0.77778	0.25000
6	0.27778	0.38889	0.75000
7	0.61111	0.72222	0.75000
8	0.22222	0.44445	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.88889	0.44444	0.25000
10	0.61111	0.05556	0.75000
11	0.94444	0.38889	0.75000
12	0.55556	0.11111	0.25000

Set of atoms in the unit cell related by symmetry with the atom I1_7:

Atom	x	y	z
1	0.22222	0.77778	0.25000
2	0.94445	0.05555	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.44445	0.25000
4	0.27778	0.72222	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.11111	0.25000
6	0.61111	0.38889	0.75000

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Label	Atom type	y	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1_1	Fe	0.00000	6	m_x,-m_x,m_z	-1.	1.00
Fe1_2	Fe	0.16667	6	m_x,-m_x,m_z	1.	1.00
Fe1_3	Fe	0.33333	12	m_x,m_y,m_z	1.	1.00
Fe1_4	Fe	0.50000	6	m_x,-m_x,m_z	1.	1.00
Fe1_5	Fe	0.83333	6	m_x,-m_x,m_z	-1.	1.00

[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: