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+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
4	x,-y,z,+1	{ m₀₁₀ \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
6	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
8	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
(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,y,-z,-1	{ 2'₀₁₀ \| 0 }
11	-x,-y,-z,-1	{ -1' \| 0 }
12	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
(1/2,1/2,0)' + set click here to show and hide
13	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
14	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
15	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
16	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

[Hide]

Symmetry operations of the magnetic point group in the setting used:

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

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.32700	0.00000	8	m_x,0,m_z	1.49	0.0	4.76	4.52

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.05100	0.00000	0.08200	8
S1	S	0.72000	0.00000	0.09600	8
S2	S	0.25700	0.16500	0.13350	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	0.32700	0.00000	m_x,0,m_z	1.49000	0.00000	4.76000
2	0.00000	0.67300	0.50000	m_x,0,m_z	1.49000	0.00000	4.76000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.82700	0.50000	m_x,0,m_z	1.49000	0.00000	4.76000
4	0.50000	0.17300	0.00000	m_x,0,m_z	1.49000	0.00000	4.76000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.32700	0.50000	-m_x,0,-m_z	-1.49000	0.00000	-4.76000
6	0.00000	0.67300	0.00000	-m_x,0,-m_z	-1.49000	0.00000	-4.76000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.82700	0.00000	-m_x,0,-m_z	-1.49000	0.00000	-4.76000
8	0.50000	0.17300	0.50000	-m_x,0,-m_z	-1.49000	0.00000	-4.76000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.05100	0.00000	0.08200
2	0.94900	0.00000	0.41800
(1/2,1/2,1/2) + set click here to show and hide
3	0.55100	0.50000	0.58200
4	0.44900	0.50000	0.91800
(0,0,1/2)' + set click here to show and hide
5	0.05100	0.00000	0.58200
6	0.94900	0.00000	0.91800
(1/2,1/2,0)' + set click here to show and hide
7	0.55100	0.50000	0.08200
8	0.44900	0.50000	0.41800

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.72000	0.00000	0.09600
2	0.28000	0.00000	0.40400
(1/2,1/2,1/2) + set click here to show and hide
3	0.22000	0.50000	0.59600
4	0.78000	0.50000	0.90400
(0,0,1/2)' + set click here to show and hide
5	0.72000	0.00000	0.59600
6	0.28000	0.00000	0.90400
(1/2,1/2,0)' + set click here to show and hide
7	0.22000	0.50000	0.09600
8	0.78000	0.50000	0.40400

Set of atoms in the unit cell related by symmetry with the atom S2:

Atom	x	y	z
1	0.25700	0.16500	0.13350
2	0.74300	0.16500	0.36650
3	0.74300	0.83500	0.36650
4	0.25700	0.83500	0.13350
(1/2,1/2,1/2) + set click here to show and hide
5	0.75700	0.66500	0.63350
6	0.24300	0.66500	0.86650
7	0.24300	0.33500	0.86650
8	0.75700	0.33500	0.63350
(0,0,1/2)' + set click here to show and hide
9	0.25700	0.16500	0.63350
10	0.74300	0.16500	0.86650
11	0.74300	0.83500	0.86650
12	0.25700	0.83500	0.63350
(1/2,1/2,0)' + set click here to show and hide
13	0.75700	0.66500	0.13350
14	0.24300	0.66500	0.36650
15	0.24300	0.33500	0.36650
16	0.75700	0.33500	0.13350

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.32700	0.00000	8	m_x,0,m_z	1.49	0.0	4.76	4.52

label	dim. small irrep	dim. full irrep	action	number of modes
mM2-	1	1	primary	2

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