MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
(1/2,1/2,0) + set click here to show and hide
3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
(0,1/2,0)' + set click here to show and hide
5	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
6	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
(1/2,0,0)' + set click here to show and hide
7	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
8	-x,-y,-z,-1	{ -1' \| 0 }

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\|
Mn1_1	Mn	0.25055	0.22580	0.24290	8	m_x,m_y,m_z	-3.18	3.18	4.50
Mn1_2	Mn	0.99945	0.47580	0.25710	8	m_x,m_y,m_z	-3.18	3.18	4.50
Mn2_1	Mn	0.25000	0.00000	0.00000	4	m_x,m_y,m_z	1.41	1.41	1.99
Mn2_2	Mn	0.00000	0.25000	0.50000	4	m_x,m_y,m_z	-1.41	-1.41	1.99
Re1_1	Re	0.25000	0.00000	0.50000	4	m_x,m_y,m_z	0.7	0.7	0.99
Re1_2	Re	0.00000	0.25000	0.00000	4	m_x,m_y,m_z	-0.7	-0.7	0.99

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.06060	0.28535	0.23660	8
O1_2	O	0.18940	0.53535	0.26340	8
O2_1	O	0.34530	0.33625	0.05770	8
O2_2	O	0.90470	0.58625	0.44230	8
O3_1	O	0.42310	0.10100	0.07130	8
O3_2	O	0.82690	0.35100	0.42870	8

[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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25055	0.22580	0.24290	m_x,m_y,m_z	-3.18000	3.18000	0.00000
2	0.24945	0.77420	0.75710	m_x,m_y,m_z	-3.18000	3.18000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.75055	0.72580	0.24290	m_x,m_y,m_z	-3.18000	3.18000	0.00000
4	0.74945	0.27420	0.75710	m_x,m_y,m_z	-3.18000	3.18000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.25055	0.72580	0.24290	-m_x,-m_y,-m_z	3.18000	-3.18000	0.00000
6	0.24945	0.27420	0.75710	-m_x,-m_y,-m_z	3.18000	-3.18000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.75055	0.22580	0.24290	-m_x,-m_y,-m_z	3.18000	-3.18000	0.00000
8	0.74945	0.77420	0.75710	-m_x,-m_y,-m_z	3.18000	-3.18000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.99945	0.47580	0.25710	m_x,m_y,m_z	-3.18000	3.18000	0.00000
2	0.50055	0.52420	0.74290	m_x,m_y,m_z	-3.18000	3.18000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.49945	0.97580	0.25710	m_x,m_y,m_z	-3.18000	3.18000	0.00000
4	0.00055	0.02420	0.74290	m_x,m_y,m_z	-3.18000	3.18000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.99945	0.97580	0.25710	-m_x,-m_y,-m_z	3.18000	-3.18000	0.00000
6	0.50055	0.02420	0.74290	-m_x,-m_y,-m_z	3.18000	-3.18000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.49945	0.47580	0.25710	-m_x,-m_y,-m_z	3.18000	-3.18000	0.00000
8	0.00055	0.52420	0.74290	-m_x,-m_y,-m_z	3.18000	-3.18000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.00000	m_x,m_y,m_z	1.41000	1.41000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.50000	0.00000	m_x,m_y,m_z	1.41000	1.41000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.50000	0.00000	-m_x,-m_y,-m_z	-1.41000	-1.41000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.41000	-1.41000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.50000	m_x,m_y,m_z	-1.41000	-1.41000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.75000	0.50000	m_x,m_y,m_z	-1.41000	-1.41000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.75000	0.50000	-m_x,-m_y,-m_z	1.41000	1.41000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.25000	0.50000	-m_x,-m_y,-m_z	1.41000	1.41000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Re1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.50000	m_x,m_y,m_z	0.70000	0.70000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.50000	0.50000	m_x,m_y,m_z	0.70000	0.70000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.25000	0.50000	0.50000	-m_x,-m_y,-m_z	-0.70000	-0.70000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.00000	0.50000	-m_x,-m_y,-m_z	-0.70000	-0.70000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Re1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.00000	m_x,m_y,m_z	-0.70000	-0.70000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.75000	0.00000	m_x,m_y,m_z	-0.70000	-0.70000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.00000	0.75000	0.00000	-m_x,-m_y,-m_z	0.70000	0.70000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.25000	0.00000	-m_x,-m_y,-m_z	0.70000	0.70000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.06060	0.28535	0.23660
2	0.43940	0.71465	0.76340
(1/2,1/2,0) + set click here to show and hide
3	0.56060	0.78535	0.23660
4	0.93940	0.21465	0.76340
(0,1/2,0)' + set click here to show and hide
5	0.06060	0.78535	0.23660
6	0.43940	0.21465	0.76340
(1/2,0,0)' + set click here to show and hide
7	0.56060	0.28535	0.23660
8	0.93940	0.71465	0.76340

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.18940	0.53535	0.26340
2	0.31060	0.46465	0.73660
(1/2,1/2,0) + set click here to show and hide
3	0.68940	0.03535	0.26340
4	0.81060	0.96465	0.73660
(0,1/2,0)' + set click here to show and hide
5	0.18940	0.03535	0.26340
6	0.31060	0.96465	0.73660
(1/2,0,0)' + set click here to show and hide
7	0.68940	0.53535	0.26340
8	0.81060	0.46465	0.73660

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

Atom	x	y	z
1	0.34530	0.33625	0.05770
2	0.15470	0.66375	0.94230
(1/2,1/2,0) + set click here to show and hide
3	0.84530	0.83625	0.05770
4	0.65470	0.16375	0.94230
(0,1/2,0)' + set click here to show and hide
5	0.34530	0.83625	0.05770
6	0.15470	0.16375	0.94230
(1/2,0,0)' + set click here to show and hide
7	0.84530	0.33625	0.05770
8	0.65470	0.66375	0.94230

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

Atom	x	y	z
1	0.90470	0.58625	0.44230
2	0.59530	0.41375	0.55770
(1/2,1/2,0) + set click here to show and hide
3	0.40470	0.08625	0.44230
4	0.09530	0.91375	0.55770
(0,1/2,0)' + set click here to show and hide
5	0.90470	0.08625	0.44230
6	0.59530	0.91375	0.55770
(1/2,0,0)' + set click here to show and hide
7	0.40470	0.58625	0.44230
8	0.09530	0.41375	0.55770

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.42310	0.10100	0.07130
2	0.07690	0.89900	0.92870
(1/2,1/2,0) + set click here to show and hide
3	0.92310	0.60100	0.07130
4	0.57690	0.39900	0.92870
(0,1/2,0)' + set click here to show and hide
5	0.42310	0.60100	0.07130
6	0.07690	0.39900	0.92870
(1/2,0,0)' + set click here to show and hide
7	0.92310	0.10100	0.07130
8	0.57690	0.89900	0.92870

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.82690	0.35100	0.42870
2	0.67310	0.64900	0.57130
(1/2,1/2,0) + set click here to show and hide
3	0.32690	0.85100	0.42870
4	0.17310	0.14900	0.57130
(0,1/2,0)' + set click here to show and hide
5	0.82690	0.85100	0.42870
6	0.67310	0.14900	0.57130
(1/2,0,0)' + set click here to show and hide
7	0.32690	0.35100	0.42870
8	0.17310	0.64900	0.57130

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1_1	Mn	0.25055	0.22580	0.24290	8	m_x,m_y,m_z	-3.18	3.18	4.50
Mn1_2	Mn	0.99945	0.47580	0.25710	8	m_x,m_y,m_z	-3.18	3.18	4.50
Mn2_1	Mn	0.25000	0.00000	0.00000	4	m_x,m_y,m_z	1.41	1.41	1.99
Mn2_2	Mn	0.00000	0.25000	0.50000	4	m_x,m_y,m_z	-1.41	-1.41	1.99
Re1_1	Re	0.25000	0.00000	0.50000	4	m_x,m_y,m_z	0.7	0.7	0.99
Re1_2	Re	0.00000	0.25000	0.00000	4	m_x,m_y,m_z	-0.7	-0.7	0.99

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: