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

[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	0.81	8	m_x,m_y,m_z	2.78(3)	0.4(3)	0.1(4)	2.81

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1	Sr	0.50070	0.00000	0.37500	1.	16
Ir1	Ir	0.00000	0.00000	0.00000	0.18	8
Ir2	Ir	0.00000	0.00000	0.25000	0.81	8
Fe2	Fe	0.00000	0.00000	0.25000	0.18	8
O1	O	0.95730	0.00000	0.12650	1.	16
O2_1	O	0.25850	0.12200	0.01070	1.	16
O2_2	O	0.74150	0.12200	0.98930	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	2.78000	0.40000	0.10000
(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	2.78000	0.40000	0.10000
(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	2.78000	0.40000	0.10000
(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	2.78000	0.40000	0.10000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-2.78000	-0.40000	-0.10000
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	-2.78000	-0.40000	-0.10000
(1/2,1/4,1/4)' + set click here to show and hide
7	0.50000	0.25000	0.25000	-m_x,-m_y,-m_z	-2.78000	-0.40000	-0.10000
(1/2,3/4,3/4)' + set click here to show and hide
8	0.50000	0.75000	0.75000	-m_x,-m_y,-m_z	-2.78000	-0.40000	-0.10000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.50070	0.00000	0.37500
2	0.49930	0.00000	0.62500
(0,1/2,1/2) + set click here to show and hide
3	0.50070	0.50000	0.87500
4	0.49930	0.50000	0.12500
(1/2,1/4,3/4) + set click here to show and hide
5	0.00070	0.25000	0.12500
6	0.99930	0.25000	0.37500
(1/2,3/4,1/4) + set click here to show and hide
7	0.00070	0.75000	0.62500
8	0.99930	0.75000	0.87500
(0,0,1/2)' + set click here to show and hide
9	0.50070	0.00000	0.87500
10	0.49930	0.00000	0.12500
(0,1/2,0)' + set click here to show and hide
11	0.50070	0.50000	0.37500
12	0.49930	0.50000	0.62500
(1/2,1/4,1/4)' + set click here to show and hide
13	0.00070	0.25000	0.62500
14	0.99930	0.25000	0.87500
(1/2,3/4,3/4)' + set click here to show and hide
15	0.00070	0.75000	0.12500
16	0.99930	0.75000	0.37500

Set of atoms in the unit cell related by symmetry with the atom Ir1:

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

Set of atoms in the unit cell related by symmetry with the atom Ir2:

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

Set of atoms in the unit cell related by symmetry with the atom Fe2:

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

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

Atom	x	y	z
1	0.95730	0.00000	0.12650
2	0.04270	0.00000	0.87350
(0,1/2,1/2) + set click here to show and hide
3	0.95730	0.50000	0.62650
4	0.04270	0.50000	0.37350
(1/2,1/4,3/4) + set click here to show and hide
5	0.45730	0.25000	0.87650
6	0.54270	0.25000	0.62350
(1/2,3/4,1/4) + set click here to show and hide
7	0.45730	0.75000	0.37650
8	0.54270	0.75000	0.12350
(0,0,1/2)' + set click here to show and hide
9	0.95730	0.00000	0.62650
10	0.04270	0.00000	0.37350
(0,1/2,0)' + set click here to show and hide
11	0.95730	0.50000	0.12650
12	0.04270	0.50000	0.87350
(1/2,1/4,1/4)' + set click here to show and hide
13	0.45730	0.25000	0.37650
14	0.54270	0.25000	0.12350
(1/2,3/4,3/4)' + set click here to show and hide
15	0.45730	0.75000	0.87650
16	0.54270	0.75000	0.62350

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

Atom	x	y	z
1	0.25850	0.12200	0.01070
2	0.74150	0.87800	0.98930
(0,1/2,1/2) + set click here to show and hide
3	0.25850	0.62200	0.51070
4	0.74150	0.37800	0.48930
(1/2,1/4,3/4) + set click here to show and hide
5	0.75850	0.37200	0.76070
6	0.24150	0.12800	0.73930
(1/2,3/4,1/4) + set click here to show and hide
7	0.75850	0.87200	0.26070
8	0.24150	0.62800	0.23930
(0,0,1/2)' + set click here to show and hide
9	0.25850	0.12200	0.51070
10	0.74150	0.87800	0.48930
(0,1/2,0)' + set click here to show and hide
11	0.25850	0.62200	0.01070
12	0.74150	0.37800	0.98930
(1/2,1/4,1/4)' + set click here to show and hide
13	0.75850	0.37200	0.26070
14	0.24150	0.12800	0.23930
(1/2,3/4,3/4)' + set click here to show and hide
15	0.75850	0.87200	0.76070
16	0.24150	0.62800	0.73930

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

Atom	x	y	z
1	0.74150	0.12200	0.98930
2	0.25850	0.87800	0.01070
(0,1/2,1/2) + set click here to show and hide
3	0.74150	0.62200	0.48930
4	0.25850	0.37800	0.51070
(1/2,1/4,3/4) + set click here to show and hide
5	0.24150	0.37200	0.73930
6	0.75850	0.12800	0.76070
(1/2,3/4,1/4) + set click here to show and hide
7	0.24150	0.87200	0.23930
8	0.75850	0.62800	0.26070
(0,0,1/2)' + set click here to show and hide
9	0.74150	0.12200	0.48930
10	0.25850	0.87800	0.51070
(0,1/2,0)' + set click here to show and hide
11	0.74150	0.62200	0.98930
12	0.25850	0.37800	0.01070
(1/2,1/4,1/4)' + set click here to show and hide
13	0.24150	0.37200	0.23930
14	0.75850	0.12800	0.26070
(1/2,3/4,3/4)' + set click here to show and hide
15	0.24150	0.87200	0.73930
16	0.75850	0.62800	0.76070

[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	0.81	8	m_x,m_y,m_z	2.78(3)	0.4(3)	0.1(4)	2.81

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

label	dim. small irrep	dim. full irrep	action	number of modes
mL1+	1	2	primary	3

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

Sr₂FeIrO₆ (#1.779)

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

Sr2FeIrO6 (#1.779)

Sr₂FeIrO₆ (#1.779)