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	-y,x,z,+1	{ 4⁺₀₀₁ \| 0 }
3	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,-y,-z,-1	{ -1' \| 0 }
6	y,-x,-z,-1	{ -4'⁺₀₀₁ \| 0 }
7	-y,x,-z,-1	{ -4'^-₀₀₁ \| 0 }
8	x,y,-z,-1	{ m'₀₀₁ \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	-y+1/2,x+1/2,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 1/2 1/2 }
11	y+1/2,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 1/2 1/2 1/2 }
12	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
13	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
14	y+1/2,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
15	-y+1/2,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 1/2 1/2 }
16	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe2+	0.00000	0.50000	0.25000	0.099	4	0,0,0	0.0	0.0	0.0	0.00
Fe2	Fe2+	0.29580	0.59200	0.25240	1.0	16	m_x,m_y,m_z	0.0	0.0	2.15(3)	2.15

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Rb1	Rb	0.00000	0.00000	0.00000	0.59	2
Rb2	Rb	0.39900	0.80300	0.00000	0.24	8
Se1	Se	0.38800	0.79400	0.64950	1.0	16
Se2	Se	0.00000	0.00000	0.64500	1.0	4

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

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	0.29580	0.59200	0.25240	m_x,m_y,m_z	0.00000	0.00000	2.15000
2	0.40800	0.29580	0.25240	-m_y,m_x,m_z	0.00000	0.00000	2.15000
3	0.59200	0.70420	0.25240	m_y,-m_x,m_z	0.00000	0.00000	2.15000
4	0.70420	0.40800	0.25240	-m_x,-m_y,m_z	0.00000	0.00000	2.15000
5	0.70420	0.40800	0.74760	-m_x,-m_y,-m_z	0.00000	0.00000	-2.15000
6	0.59200	0.70420	0.74760	m_y,-m_x,-m_z	0.00000	0.00000	-2.15000
7	0.40800	0.29580	0.74760	-m_y,m_x,-m_z	0.00000	0.00000	-2.15000
8	0.29580	0.59200	0.74760	m_x,m_y,-m_z	0.00000	0.00000	-2.15000
(1/2,1/2,1/2) + set click here to show and hide
9	0.79580	0.09200	0.75240	m_x,m_y,m_z	0.00000	0.00000	2.15000
10	0.90800	0.79580	0.75240	-m_y,m_x,m_z	0.00000	0.00000	2.15000
11	0.09200	0.20420	0.75240	m_y,-m_x,m_z	0.00000	0.00000	2.15000
12	0.20420	0.90800	0.75240	-m_x,-m_y,m_z	0.00000	0.00000	2.15000
13	0.20420	0.90800	0.24760	-m_x,-m_y,-m_z	0.00000	0.00000	-2.15000
14	0.09200	0.20420	0.24760	m_y,-m_x,-m_z	0.00000	0.00000	-2.15000
15	0.90800	0.79580	0.24760	-m_y,m_x,-m_z	0.00000	0.00000	-2.15000
16	0.79580	0.09200	0.24760	m_x,m_y,-m_z	0.00000	0.00000	-2.15000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Rb1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Rb2:

Atom	x	y	z
1	0.39900	0.80300	0.00000
2	0.19700	0.39900	0.00000
3	0.80300	0.60100	0.00000
4	0.60100	0.19700	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.89900	0.30300	0.50000
6	0.69700	0.89900	0.50000
7	0.30300	0.10100	0.50000
8	0.10100	0.69700	0.50000

Set of atoms in the unit cell related by symmetry with the atom Se1:

Atom	x	y	z
1	0.38800	0.79400	0.64950
2	0.20600	0.38800	0.64950
3	0.79400	0.61200	0.64950
4	0.61200	0.20600	0.64950
5	0.61200	0.20600	0.35050
6	0.79400	0.61200	0.35050
7	0.20600	0.38800	0.35050
8	0.38800	0.79400	0.35050
(1/2,1/2,1/2) + set click here to show and hide
9	0.88800	0.29400	0.14950
10	0.70600	0.88800	0.14950
11	0.29400	0.11200	0.14950
12	0.11200	0.70600	0.14950
13	0.11200	0.70600	0.85050
14	0.29400	0.11200	0.85050
15	0.70600	0.88800	0.85050
16	0.88800	0.29400	0.85050

Set of atoms in the unit cell related by symmetry with the atom Se2:

Atom	x	y	z
1	0.00000	0.00000	0.64500
2	0.00000	0.00000	0.35500
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.14500
4	0.50000	0.50000	0.85500

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe2+	0.00000	0.50000	0.25000	0.099	4	0,0,0	0.0	0.0	0.0	0.00
Fe2	Fe2+	0.29580	0.59200	0.25240	1.0	16	m_x,m_y,m_z	0.0	0.0	2.15(3)	2.15

label	dim. small irrep	dim. full irrep	action
mGM1-	1	1	primary

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