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 }

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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

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ir1	Ir	0	0.3332	0	0.823	8	m_x,0,m_z	0.22(1)	0.0	0.0	0.22
Ir2	Ir	0	0	0	0.354	4	0,0,0	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Na4	Na	0	0.3332	0	0.177	8
Na1	Na	0	0	0	0.646	4
Na2	Na	0	0.8363	0.25	1.0000	8
Na3	Na	0	0.5	0.25	1.0000	4
O1	O	0.259	0.3294	0.396	1.0000	16
O2	O	0.27	0	0.396	1.0000	8

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 Ir1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33320	0.00000	m_x,0,m_z	0.22000	0.00000	0.00000
2	0.00000	0.66680	0.50000	m_x,0,m_z	0.22000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.83320	0.50000	m_x,0,m_z	0.22000	0.00000	0.00000
4	0.50000	0.16680	0.00000	m_x,0,m_z	0.22000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.33320	0.50000	-m_x,0,-m_z	-0.22000	0.00000	0.00000
6	0.00000	0.66680	0.00000	-m_x,0,-m_z	-0.22000	0.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.83320	0.00000	-m_x,0,-m_z	-0.22000	0.00000	0.00000
8	0.50000	0.16680	0.50000	-m_x,0,-m_z	-0.22000	0.00000	0.00000

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

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

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Na4:

Atom	x	y	z
1	0.00000	0.33320	0.00000
2	0.00000	0.66680	0.50000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.83320	0.50000
4	0.50000	0.16680	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.33320	0.50000
6	0.00000	0.66680	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.83320	0.00000
8	0.50000	0.16680	0.50000

Set of atoms in the unit cell related by symmetry with the atom Na1:

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

Set of atoms in the unit cell related by symmetry with the atom Na2:

Atom	x	y	z
1	0.00000	0.83630	0.25000
2	0.00000	0.16370	0.25000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.33630	0.75000
4	0.50000	0.66370	0.75000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.83630	0.75000
6	0.00000	0.16370	0.75000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.33630	0.25000
8	0.50000	0.66370	0.25000

Set of atoms in the unit cell related by symmetry with the atom Na3:

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

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

Atom	x	y	z
1	0.25900	0.32940	0.39600
2	0.74100	0.32940	0.10400
3	0.74100	0.67060	0.10400
4	0.25900	0.67060	0.39600
(1/2,1/2,1/2) + set click here to show and hide
5	0.75900	0.82940	0.89600
6	0.24100	0.82940	0.60400
7	0.24100	0.17060	0.60400
8	0.75900	0.17060	0.89600
(0,0,1/2)' + set click here to show and hide
9	0.25900	0.32940	0.89600
10	0.74100	0.32940	0.60400
11	0.74100	0.67060	0.60400
12	0.25900	0.67060	0.89600
(1/2,1/2,0)' + set click here to show and hide
13	0.75900	0.82940	0.39600
14	0.24100	0.82940	0.10400
15	0.24100	0.17060	0.10400
16	0.75900	0.17060	0.39600

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.27000	0.00000	0.39600
2	0.73000	0.00000	0.10400
(1/2,1/2,1/2) + set click here to show and hide
3	0.77000	0.50000	0.89600
4	0.23000	0.50000	0.60400
(0,0,1/2)' + set click here to show and hide
5	0.27000	0.00000	0.89600
6	0.73000	0.00000	0.60400
(1/2,1/2,0)' + set click here to show and hide
7	0.77000	0.50000	0.39600
8	0.23000	0.50000	0.10400

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ir1	Ir	0	0.3332	0	0.823	8	m_x,0,m_z	0.22(1)	0.0	0.0	0.22
Ir2	Ir	0	0	0	0.354	4	0,0,0	0.0	0.0	0.0	0.00

label	dim. small irrep	dim. full irrep	action
mM2-	1	1	primary

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