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	{ -1 \| 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+1/2,-z+1/2,+1	{ -1 \| 0 1/2 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+1/4,-z+3/4,+1	{ -1 \| 1/2 1/4 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+3/4,-z+1/4,+1	{ -1 \| 1/2 3/4 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+1/4,-z+1/4,-1	{ -1' \| 1/2 1/4 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+3/4,-z+3/4,-1	{ -1' \| 1/2 3/4 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+1/2,-z,-1	{ -1' \| 0 1/2 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,-z+1/2,-1	{ -1' \| 0 0 1/2 }

[Hide]

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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	0.96	8	m_x,m_y,m_z	0.0	0.0	2.12(6)	2.12
Fe2	Fe	0.00000	0.00000	0.25000	0.04	8	0,0,0	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1_1	Sr	0.00000	0.25000	0.00000	1.	8
Sr1_2	Sr	0.50000	0.00000	0.00000	1.	8
W1	W	0.00000	0.00000	0.00000	0.04	8
W2	W	0.00000	0.00000	0.25000	0.96	8
O1	O	0.00000	0.00000	0.12890	0.77	16
N1	N	0.00000	0.00000	0.12890	0.23	16
O2_1	O	0.23060	0.13700	0.00000	0.9	16
O2_2	O	0.72600	0.11530	0.00000	0.9	16
N2_1	N	0.23060	0.13700	0.00000	0.1	16
N2_2	N	0.72600	0.11530	0.00000	0.1	16

[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:

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	2.12000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	m_x,m_y,m_z	0.00000	0.00000	2.12000
(1/2,1/4,3/4) + set click here to show and hide
3	0.50000	0.25000	0.75000	m_x,m_y,m_z	0.00000	0.00000	2.12000
(1/2,3/4,1/4) + set click here to show and hide
4	0.50000	0.75000	0.25000	m_x,m_y,m_z	0.00000	0.00000	2.12000
(1/2,1/4,1/4)' + set click here to show and hide
5	0.50000	0.25000	0.25000	-m_x,-m_y,-m_z	0.00000	0.00000	-2.12000
(1/2,3/4,3/4)' + set click here to show and hide
6	0.50000	0.75000	0.75000	-m_x,-m_y,-m_z	0.00000	0.00000	-2.12000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-2.12000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	0.00000	0.00000	-2.12000

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

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1_1:

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

Set of atoms in the unit cell related by symmetry with the atom Sr1_2:

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

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 W2:

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

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

Atom	x	y	z
1	0.00000	0.00000	0.12890
2	0.00000	0.00000	0.87110
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.62890
4	0.00000	0.50000	0.37110
(1/2,1/4,3/4) + set click here to show and hide
5	0.50000	0.25000	0.87890
6	0.50000	0.25000	0.62110
(1/2,3/4,1/4) + set click here to show and hide
7	0.50000	0.75000	0.37890
8	0.50000	0.75000	0.12110
(1/2,1/4,1/4)' + set click here to show and hide
9	0.50000	0.25000	0.37890
10	0.50000	0.25000	0.12110
(1/2,3/4,3/4)' + set click here to show and hide
11	0.50000	0.75000	0.87890
12	0.50000	0.75000	0.62110
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.50000	0.12890
14	0.00000	0.50000	0.87110
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.00000	0.62890
16	0.00000	0.00000	0.37110

Set of atoms in the unit cell related by symmetry with the atom N1:

Atom	x	y	z
1	0.00000	0.00000	0.12890
2	0.00000	0.00000	0.87110
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.62890
4	0.00000	0.50000	0.37110
(1/2,1/4,3/4) + set click here to show and hide
5	0.50000	0.25000	0.87890
6	0.50000	0.25000	0.62110
(1/2,3/4,1/4) + set click here to show and hide
7	0.50000	0.75000	0.37890
8	0.50000	0.75000	0.12110
(1/2,1/4,1/4)' + set click here to show and hide
9	0.50000	0.25000	0.37890
10	0.50000	0.25000	0.12110
(1/2,3/4,3/4)' + set click here to show and hide
11	0.50000	0.75000	0.87890
12	0.50000	0.75000	0.62110
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.50000	0.12890
14	0.00000	0.50000	0.87110
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.00000	0.62890
16	0.00000	0.00000	0.37110

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

Atom	x	y	z
1	0.23060	0.13700	0.00000
2	0.76940	0.86300	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.23060	0.63700	0.50000
4	0.76940	0.36300	0.50000
(1/2,1/4,3/4) + set click here to show and hide
5	0.73060	0.38700	0.75000
6	0.26940	0.11300	0.75000
(1/2,3/4,1/4) + set click here to show and hide
7	0.73060	0.88700	0.25000
8	0.26940	0.61300	0.25000
(1/2,1/4,1/4)' + set click here to show and hide
9	0.73060	0.38700	0.25000
10	0.26940	0.11300	0.25000
(1/2,3/4,3/4)' + set click here to show and hide
11	0.73060	0.88700	0.75000
12	0.26940	0.61300	0.75000
(0,1/2,0)' + set click here to show and hide
13	0.23060	0.63700	0.00000
14	0.76940	0.36300	0.00000
(0,0,1/2)' + set click here to show and hide
15	0.23060	0.13700	0.50000
16	0.76940	0.86300	0.50000

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

Atom	x	y	z
1	0.72600	0.11530	0.00000
2	0.27400	0.88470	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.72600	0.61530	0.50000
4	0.27400	0.38470	0.50000
(1/2,1/4,3/4) + set click here to show and hide
5	0.22600	0.36530	0.75000
6	0.77400	0.13470	0.75000
(1/2,3/4,1/4) + set click here to show and hide
7	0.22600	0.86530	0.25000
8	0.77400	0.63470	0.25000
(1/2,1/4,1/4)' + set click here to show and hide
9	0.22600	0.36530	0.25000
10	0.77400	0.13470	0.25000
(1/2,3/4,3/4)' + set click here to show and hide
11	0.22600	0.86530	0.75000
12	0.77400	0.63470	0.75000
(0,1/2,0)' + set click here to show and hide
13	0.72600	0.61530	0.00000
14	0.27400	0.38470	0.00000
(0,0,1/2)' + set click here to show and hide
15	0.72600	0.11530	0.50000
16	0.27400	0.88470	0.50000

Set of atoms in the unit cell related by symmetry with the atom N2_1:

Atom	x	y	z
1	0.23060	0.13700	0.00000
2	0.76940	0.86300	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.23060	0.63700	0.50000
4	0.76940	0.36300	0.50000
(1/2,1/4,3/4) + set click here to show and hide
5	0.73060	0.38700	0.75000
6	0.26940	0.11300	0.75000
(1/2,3/4,1/4) + set click here to show and hide
7	0.73060	0.88700	0.25000
8	0.26940	0.61300	0.25000
(1/2,1/4,1/4)' + set click here to show and hide
9	0.73060	0.38700	0.25000
10	0.26940	0.11300	0.25000
(1/2,3/4,3/4)' + set click here to show and hide
11	0.73060	0.88700	0.75000
12	0.26940	0.61300	0.75000
(0,1/2,0)' + set click here to show and hide
13	0.23060	0.63700	0.00000
14	0.76940	0.36300	0.00000
(0,0,1/2)' + set click here to show and hide
15	0.23060	0.13700	0.50000
16	0.76940	0.86300	0.50000

Set of atoms in the unit cell related by symmetry with the atom N2_2:

Atom	x	y	z
1	0.72600	0.11530	0.00000
2	0.27400	0.88470	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.72600	0.61530	0.50000
4	0.27400	0.38470	0.50000
(1/2,1/4,3/4) + set click here to show and hide
5	0.22600	0.36530	0.75000
6	0.77400	0.13470	0.75000
(1/2,3/4,1/4) + set click here to show and hide
7	0.22600	0.86530	0.25000
8	0.77400	0.63470	0.25000
(1/2,1/4,1/4)' + set click here to show and hide
9	0.22600	0.36530	0.25000
10	0.77400	0.13470	0.25000
(1/2,3/4,3/4)' + set click here to show and hide
11	0.22600	0.86530	0.75000
12	0.77400	0.63470	0.75000
(0,1/2,0)' + set click here to show and hide
13	0.72600	0.61530	0.00000
14	0.27400	0.38470	0.00000
(0,0,1/2)' + set click here to show and hide
15	0.72600	0.11530	0.50000
16	0.27400	0.88470	0.50000

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	0.96	8	m_x,m_y,m_z	0.0	0.0	2.12(6)	2.12
Fe2	Fe	0.00000	0.00000	0.25000	0.04	8	0,0,0	0.0	0.0	0.0	0.00

[Show all magnetic atoms in unit cell and their moment relations]

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

Sr₂FeWO₅N (#1.322)

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

Sr2FeWO5N (#1.322)

Sr₂FeWO₅N (#1.322)