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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	16	m_x,m_y,m_z	0.0	0.0	3.7	3.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
I1_1	I	0.75000	0.83332	0.06250	16
I1_2	I	0.75000	0.16668	0.93750	16

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	0.00000	m_x,m_y,m_z	0.00000	0.00000	3.70000
2	0.00000	0.00000	0.75000	m_x,m_y,m_z	0.00000	0.00000	3.70000
(3/4,1/2,3/4) + set click here to show and hide
3	0.75000	0.50000	0.75000	m_x,m_y,m_z	0.00000	0.00000	3.70000
4	0.75000	0.50000	0.50000	m_x,m_y,m_z	0.00000	0.00000	3.70000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.00000	0.00000	3.70000
6	0.50000	0.00000	0.25000	m_x,m_y,m_z	0.00000	0.00000	3.70000
(1/4,1/2,1/4) + set click here to show and hide
7	0.25000	0.50000	0.25000	m_x,m_y,m_z	0.00000	0.00000	3.70000
8	0.25000	0.50000	0.00000	m_x,m_y,m_z	0.00000	0.00000	3.70000
(3/4,1/2,1/4)' + set click here to show and hide
9	0.75000	0.50000	0.25000	-m_x,-m_y,-m_z	0.00000	0.00000	-3.70000
10	0.75000	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-3.70000
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-3.70000
12	0.50000	0.00000	0.75000	-m_x,-m_y,-m_z	0.00000	0.00000	-3.70000
(1/4,1/2,3/4)' + set click here to show and hide
13	0.25000	0.50000	0.75000	-m_x,-m_y,-m_z	0.00000	0.00000	-3.70000
14	0.25000	0.50000	0.50000	-m_x,-m_y,-m_z	0.00000	0.00000	-3.70000
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	0.00000	0.00000	-3.70000
16	0.00000	0.00000	0.25000	-m_x,-m_y,-m_z	0.00000	0.00000	-3.70000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.75000	0.83332	0.06250
2	0.25000	0.16668	0.68750
(3/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.33332	0.81250
4	0.00000	0.66668	0.43750
(1/2,0,1/2) + set click here to show and hide
5	0.25000	0.83332	0.56250
6	0.75000	0.16668	0.18750
(1/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.33332	0.31250
8	0.50000	0.66668	0.93750
(3/4,1/2,1/4)' + set click here to show and hide
9	0.50000	0.33332	0.31250
10	0.00000	0.66668	0.93750
(1/2,0,0)' + set click here to show and hide
11	0.25000	0.83332	0.06250
12	0.75000	0.16668	0.68750
(1/4,1/2,3/4)' + set click here to show and hide
13	0.00000	0.33332	0.81250
14	0.50000	0.66668	0.43750
(0,0,1/2)' + set click here to show and hide
15	0.75000	0.83332	0.56250
16	0.25000	0.16668	0.18750

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

Atom	x	y	z
1	0.75000	0.16668	0.93750
2	0.25000	0.83332	0.81250
(3/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.66668	0.68750
4	0.00000	0.33332	0.56250
(1/2,0,1/2) + set click here to show and hide
5	0.25000	0.16668	0.43750
6	0.75000	0.83332	0.31250
(1/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.66668	0.18750
8	0.50000	0.33332	0.06250
(3/4,1/2,1/4)' + set click here to show and hide
9	0.50000	0.66668	0.18750
10	0.00000	0.33332	0.06250
(1/2,0,0)' + set click here to show and hide
11	0.25000	0.16668	0.93750
12	0.75000	0.83332	0.81250
(1/4,1/2,3/4)' + set click here to show and hide
13	0.00000	0.66668	0.68750
14	0.50000	0.33332	0.56250
(0,0,1/2)' + set click here to show and hide
15	0.75000	0.16668	0.43750
16	0.25000	0.83332	0.31250

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	16	m_x,m_y,m_z	0.0	0.0	3.7	3.70

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mC1	12	1	special	primary	3

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