MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
3	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
4	x,y,-z,-1	{ m'₀₀₁ \| 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+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
7	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
8	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.00000	0.50000	0.25000	0.099	4	m_x,m_y,0	0.0	0.00
Fe2_1	Fe2+	0.29580	0.59200	0.25240	1.0	8	m_x,m_y,m_z	2.08(6)	2.08
Fe2_2	Fe2+	0.40800	0.29580	0.25240	1.0	8	m_x,m_y,m_z	-2.08	2.08

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Rb1	Rb	0.00000	0.00000	0.00000	0.59	2
Rb2_1	Rb	0.39900	0.80300	0.00000	0.24	4
Rb2_2	Rb	0.19700	0.39900	0.00000	0.24	4
Se1_1	Se	0.38800	0.79400	0.64950	1.0	8
Se1_2	Se	0.20600	0.38800	0.64950	1.0	8
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	m_x,m_y,0	0.00000	0.00000	0.00000
2	0.00000	0.50000	0.75000	m_x,m_y,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	m_x,m_y,0	0.00000	0.00000	0.00000
4	0.50000	0.00000	0.25000	m_x,m_y,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

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	2.08000
2	0.70420	0.40800	0.74760	m_x,m_y,m_z	0.00000	0.00000	2.08000
3	0.70420	0.40800	0.25240	m_x,m_y,-m_z	0.00000	0.00000	-2.08000
4	0.29580	0.59200	0.74760	m_x,m_y,-m_z	0.00000	0.00000	-2.08000
(1/2,1/2,1/2) + set click here to show and hide
5	0.79580	0.09200	0.75240	m_x,m_y,m_z	0.00000	0.00000	2.08000
6	0.20420	0.90800	0.24760	m_x,m_y,m_z	0.00000	0.00000	2.08000
7	0.20420	0.90800	0.75240	m_x,m_y,-m_z	0.00000	0.00000	-2.08000
8	0.79580	0.09200	0.24760	m_x,m_y,-m_z	0.00000	0.00000	-2.08000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.40800	0.29580	0.25240	m_x,m_y,m_z	0.00000	0.00000	-2.08000
2	0.59200	0.70420	0.74760	m_x,m_y,m_z	0.00000	0.00000	-2.08000
3	0.59200	0.70420	0.25240	m_x,m_y,-m_z	0.00000	0.00000	2.08000
4	0.40800	0.29580	0.74760	m_x,m_y,-m_z	0.00000	0.00000	2.08000
(1/2,1/2,1/2) + set click here to show and hide
5	0.90800	0.79580	0.75240	m_x,m_y,m_z	0.00000	0.00000	-2.08000
6	0.09200	0.20420	0.24760	m_x,m_y,m_z	0.00000	0.00000	-2.08000
7	0.09200	0.20420	0.75240	m_x,m_y,-m_z	0.00000	0.00000	2.08000
8	0.90800	0.79580	0.24760	m_x,m_y,-m_z	0.00000	0.00000	2.08000

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_1:

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

Set of atoms in the unit cell related by symmetry with the atom Rb2_2:

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

Set of atoms in the unit cell related by symmetry with the atom Se1_1:

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

Set of atoms in the unit cell related by symmetry with the atom Se1_2:

Atom	x	y	z
1	0.20600	0.38800	0.64950
2	0.79400	0.61200	0.35050
3	0.79400	0.61200	0.64950
4	0.20600	0.38800	0.35050
(1/2,1/2,1/2) + set click here to show and hide
5	0.70600	0.88800	0.14950
6	0.29400	0.11200	0.85050
7	0.29400	0.11200	0.14950
8	0.70600	0.88800	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_z	\|M\|
Fe1	Fe	0.00000	0.50000	0.25000	0.099	4	m_x,m_y,0	0.0	0.00
Fe2_1	Fe2+	0.29580	0.59200	0.25240	1.0	8	m_x,m_y,m_z	2.08(6)	2.08
Fe2_2	Fe2+	0.40800	0.29580	0.25240	1.0	8	m_x,m_y,m_z	-2.08	2.08

label	dim. full irrep	dim. small irrep	direction	action
mGM3+GM4+	2	2	general	primary

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