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+1/2,-z,+1	{ -1 \| 0 1/2 0 }
(0,1/2,1/2) + set click here to show and hide
3	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
4	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
(1/2,1/4,3/4) + set click here to show and hide
5	x+1/2,y+1/4,z+3/4,+1	{ 1 \| 1/2 1/4 3/4 }
6	-x+1/2,-y+3/4,-z+3/4,+1	{ -1 \| 1/2 3/4 3/4 }
(1/2,3/4,1/4) + set click here to show and hide
7	x+1/2,y+3/4,z+1/4,+1	{ 1 \| 1/2 3/4 1/4 }
8	-x+1/2,-y+1/4,-z+1/4,+1	{ -1 \| 1/2 1/4 1/4 }
(1/2,1/4,1/4)' + set click here to show and hide
9	x+1/2,y+1/4,z+1/4,-1	{ 1' \| 1/2 1/4 1/4 }
10	-x+1/2,-y+3/4,-z+1/4,-1	{ -1' \| 1/2 3/4 1/4 }
(1/2,3/4,3/4)' + set click here to show and hide
11	x+1/2,y+3/4,z+3/4,-1	{ 1' \| 1/2 3/4 3/4 }
12	-x+1/2,-y+1/4,-z+3/4,-1	{ -1' \| 1/2 1/4 3/4 }
(0,1/2,0)' + set click here to show and hide
13	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
14	-x,-y,-z,-1	{ -1' \| 0 }
(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+1/2,-z+1/2,-1	{ -1' \| 0 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	-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	0.25000	8	m_x,m_y,m_z	-0.61(3)	2.87(6)	-1.77(9)	3.43

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.25000	0.12500	16
W1	W	0.00000	0.00000	0.00000	8
O1	O	0.00000	0.00000	0.12050	16
O2_1	O	0.23900	0.11750	0.00000	16
O2_2	O	0.76500	0.11950	0.00000	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	0.25000	m_x,m_y,m_z	-0.61000	2.87000	-1.77000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.75000	m_x,m_y,m_z	-0.61000	2.87000	-1.77000
(1/2,1/4,3/4) + set click here to show and hide
3	0.50000	0.25000	0.00000	m_x,m_y,m_z	-0.61000	2.87000	-1.77000
(1/2,3/4,1/4) + set click here to show and hide
4	0.50000	0.75000	0.50000	m_x,m_y,m_z	-0.61000	2.87000	-1.77000
(1/2,1/4,1/4)' + set click here to show and hide
5	0.50000	0.25000	0.50000	-m_x,-m_y,-m_z	0.61000	-2.87000	1.77000
(1/2,3/4,3/4)' + set click here to show and hide
6	0.50000	0.75000	0.00000	-m_x,-m_y,-m_z	0.61000	-2.87000	1.77000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.25000	-m_x,-m_y,-m_z	0.61000	-2.87000	1.77000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.75000	-m_x,-m_y,-m_z	0.61000	-2.87000	1.77000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.25000	0.12500
2	0.00000	0.25000	0.87500
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.62500
4	0.00000	0.75000	0.37500
(1/2,1/4,3/4) + set click here to show and hide
5	0.50000	0.50000	0.87500
6	0.50000	0.50000	0.62500
(1/2,3/4,1/4) + set click here to show and hide
7	0.50000	0.00000	0.37500
8	0.50000	0.00000	0.12500
(1/2,1/4,1/4)' + set click here to show and hide
9	0.50000	0.50000	0.37500
10	0.50000	0.50000	0.12500
(1/2,3/4,3/4)' + set click here to show and hide
11	0.50000	0.00000	0.87500
12	0.50000	0.00000	0.62500
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.75000	0.12500
14	0.00000	0.75000	0.87500
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.25000	0.62500
16	0.00000	0.25000	0.37500

Set of atoms in the unit cell related by symmetry with the atom W1:

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

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

Atom	x	y	z
1	0.00000	0.00000	0.12050
2	0.00000	0.50000	0.87950
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.62050
4	0.00000	0.00000	0.37950
(1/2,1/4,3/4) + set click here to show and hide
5	0.50000	0.25000	0.87050
6	0.50000	0.75000	0.62950
(1/2,3/4,1/4) + set click here to show and hide
7	0.50000	0.75000	0.37050
8	0.50000	0.25000	0.12950
(1/2,1/4,1/4)' + set click here to show and hide
9	0.50000	0.25000	0.37050
10	0.50000	0.75000	0.12950
(1/2,3/4,3/4)' + set click here to show and hide
11	0.50000	0.75000	0.87050
12	0.50000	0.25000	0.62950
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.50000	0.12050
14	0.00000	0.00000	0.87950
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.00000	0.62050
16	0.00000	0.50000	0.37950

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

Atom	x	y	z
1	0.23900	0.11750	0.00000
2	0.76100	0.38250	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.23900	0.61750	0.50000
4	0.76100	0.88250	0.50000
(1/2,1/4,3/4) + set click here to show and hide
5	0.73900	0.36750	0.75000
6	0.26100	0.63250	0.75000
(1/2,3/4,1/4) + set click here to show and hide
7	0.73900	0.86750	0.25000
8	0.26100	0.13250	0.25000
(1/2,1/4,1/4)' + set click here to show and hide
9	0.73900	0.36750	0.25000
10	0.26100	0.63250	0.25000
(1/2,3/4,3/4)' + set click here to show and hide
11	0.73900	0.86750	0.75000
12	0.26100	0.13250	0.75000
(0,1/2,0)' + set click here to show and hide
13	0.23900	0.61750	0.00000
14	0.76100	0.88250	0.00000
(0,0,1/2)' + set click here to show and hide
15	0.23900	0.11750	0.50000
16	0.76100	0.38250	0.50000

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

Atom	x	y	z
1	0.76500	0.11950	0.00000
2	0.23500	0.38050	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.76500	0.61950	0.50000
4	0.23500	0.88050	0.50000
(1/2,1/4,3/4) + set click here to show and hide
5	0.26500	0.36950	0.75000
6	0.73500	0.63050	0.75000
(1/2,3/4,1/4) + set click here to show and hide
7	0.26500	0.86950	0.25000
8	0.73500	0.13050	0.25000
(1/2,1/4,1/4)' + set click here to show and hide
9	0.26500	0.36950	0.25000
10	0.73500	0.63050	0.25000
(1/2,3/4,3/4)' + set click here to show and hide
11	0.26500	0.86950	0.75000
12	0.73500	0.13050	0.75000
(0,1/2,0)' + set click here to show and hide
13	0.76500	0.61950	0.00000
14	0.23500	0.88050	0.00000
(0,0,1/2)' + set click here to show and hide
15	0.76500	0.11950	0.50000
16	0.23500	0.38050	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	0.00000	0.00000	0.25000	8	m_x,m_y,m_z	-0.61(3)	2.87(6)	-1.77(9)	3.43

label	dim. small irrep	dim. full irrep	action	number of modes
mN1-	1	4	primary	3

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