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-2y,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+2y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
(2/3,1/6,1/3)' + set click here to show and hide
5	x+2/3,y+1/6,z+1/3,-1	{ 1' \| 2/3 1/6 1/3 }
6	x-2y+2/3,-y+1/6,-z+5/6,-1	{ 2'₁₀₀ \| 2/3 1/6 5/6 }
7	-x+2/3,-y+1/6,-z+1/3,-1	{ -1' \| 2/3 1/6 1/3 }
8	-x+2y+2/3,y+1/6,z+5/6,-1	{ m'₁₀₀ \| 2/3 1/6 5/6 }
(1/3,1/3,2/3) + set click here to show and hide
9	x+1/3,y+1/3,z+2/3,+1	{ 1 \| 1/3 1/3 2/3 }
10	x-2y+1/3,-y+1/3,-z+1/6,+1	{ 2₁₀₀ \| 1/3 1/3 1/6 }
11	-x+1/3,-y+1/3,-z+2/3,+1	{ -1 \| 1/3 1/3 2/3 }
12	-x+2y+1/3,y+1/3,z+1/6,+1	{ m₁₀₀ \| 1/3 1/3 1/6 }
(0,1/2,0)' + set click here to show and hide
13	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
14	x-2y,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
15	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
16	-x+2y,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }
(2/3,2/3,1/3) + set click here to show and hide
17	x+2/3,y+2/3,z+1/3,+1	{ 1 \| 2/3 2/3 1/3 }
18	x-2y+2/3,-y+2/3,-z+5/6,+1	{ 2₁₀₀ \| 2/3 2/3 5/6 }
19	-x+2/3,-y+2/3,-z+1/3,+1	{ -1 \| 2/3 2/3 1/3 }
20	-x+2y+2/3,y+2/3,z+5/6,+1	{ m₁₀₀ \| 2/3 2/3 5/6 }
(1/3,5/6,2/3)' + set click here to show and hide
21	x+1/3,y+5/6,z+2/3,-1	{ 1' \| 1/3 5/6 2/3 }
22	x-2y+1/3,-y+5/6,-z+1/6,-1	{ 2'₁₀₀ \| 1/3 5/6 1/6 }
23	-x+1/3,-y+5/6,-z+2/3,-1	{ -1' \| 1/3 5/6 2/3 }
24	-x+2y+1/3,y+5/6,z+1/6,-1	{ m'₁₀₀ \| 1/3 5/6 1/6 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-2y,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x+2y,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x-2y,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x+2y,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ir1	Ir	0.00000	0.00000	0.00000	12	M_x,M_y,M_z	-0.072	-0.579	0.67	0.86

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.63591	0.00000	0.75000	12
Sr2	Sr	0.66667	0.84871	0.58333	24
Zn1	Zn	0.00000	0.00000	0.75000	12
O1	O	0.17316	0.01030	0.11288	24
O2	O	-0.02060	0.07628	0.11288	24
O3	O	0.84744	-0.08658	0.11288	24

[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 Ir1:

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	-0.07200	-0.57900	0.67000
2	0.00000	0.00000	0.50000	m_x-m_y,-m_y,-m_z	0.50700	0.57900	-0.67000
(2/3,1/6,1/3)' + set click here to show and hide
3	0.66667	0.16667	0.33333	-m_x,-m_y,-m_z	0.07200	0.57900	-0.67000
4	0.66667	0.16667	0.83333	-m_x+m_y,m_y,m_z	-0.50700	-0.57900	0.67000
(1/3,1/3,2/3) + set click here to show and hide
5	0.33333	0.33333	0.66667	m_x,m_y,m_z	-0.07200	-0.57900	0.67000
6	0.33333	0.33333	0.16667	m_x-m_y,-m_y,-m_z	0.50700	0.57900	-0.67000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	0.07200	0.57900	-0.67000
8	0.00000	0.50000	0.50000	-m_x+m_y,m_y,m_z	-0.50700	-0.57900	0.67000
(2/3,2/3,1/3) + set click here to show and hide
9	0.66667	0.66667	0.33333	m_x,m_y,m_z	-0.07200	-0.57900	0.67000
10	0.66667	0.66667	0.83333	m_x-m_y,-m_y,-m_z	0.50700	0.57900	-0.67000
(1/3,5/6,2/3)' + set click here to show and hide
11	0.33333	0.83333	0.66667	-m_x,-m_y,-m_z	0.07200	0.57900	-0.67000
12	0.33333	0.83333	0.16667	-m_x+m_y,m_y,m_z	-0.50700	-0.57900	0.67000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.63591	0.00000	0.75000
2	0.36409	0.00000	0.25000
(2/3,1/6,1/3)' + set click here to show and hide
3	0.30258	0.16667	0.08333
4	0.03076	0.16667	0.58333
(1/3,1/3,2/3) + set click here to show and hide
5	0.96924	0.33333	0.41667
6	0.69742	0.33333	0.91667
(0,1/2,0)' + set click here to show and hide
7	0.63591	0.50000	0.75000
8	0.36409	0.50000	0.25000
(2/3,2/3,1/3) + set click here to show and hide
9	0.30258	0.66667	0.08333
10	0.03076	0.66667	0.58333
(1/3,5/6,2/3)' + set click here to show and hide
11	0.96924	0.83333	0.41667
12	0.69742	0.83333	0.91667

Set of atoms in the unit cell related by symmetry with the atom Sr2:

Atom	x	y	z
1	0.66667	0.84871	0.58333
2	0.96925	0.15129	0.91667
3	0.33333	0.15129	0.41667
4	0.03075	0.84871	0.08333
(2/3,1/6,1/3)' + set click here to show and hide
5	0.33334	0.01538	0.91666
6	0.63592	0.31796	0.25000
7	0.00000	0.31796	0.75000
8	0.69742	0.01538	0.41666
(1/3,1/3,2/3) + set click here to show and hide
9	0.00000	0.18204	0.25000
10	0.30258	0.48462	0.58334
11	0.66666	0.48462	0.08334
12	0.36408	0.18204	0.75000
(0,1/2,0)' + set click here to show and hide
13	0.66667	0.34871	0.58333
14	0.96925	0.65129	0.91667
15	0.33333	0.65129	0.41667
16	0.03075	0.34871	0.08333
(2/3,2/3,1/3) + set click here to show and hide
17	0.33334	0.51538	0.91666
18	0.63592	0.81796	0.25000
19	0.00000	0.81796	0.75000
20	0.69742	0.51538	0.41666
(1/3,5/6,2/3)' + set click here to show and hide
21	0.00000	0.68204	0.25000
22	0.30258	0.98462	0.58334
23	0.66666	0.98462	0.08334
24	0.36408	0.68204	0.75000

Set of atoms in the unit cell related by symmetry with the atom Zn1:

Atom	x	y	z
1	0.00000	0.00000	0.75000
2	0.00000	0.00000	0.25000
(2/3,1/6,1/3)' + set click here to show and hide
3	0.66667	0.16667	0.08333
4	0.66667	0.16667	0.58333
(1/3,1/3,2/3) + set click here to show and hide
5	0.33333	0.33333	0.41667
6	0.33333	0.33333	0.91667
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.50000	0.75000
8	0.00000	0.50000	0.25000
(2/3,2/3,1/3) + set click here to show and hide
9	0.66667	0.66667	0.08333
10	0.66667	0.66667	0.58333
(1/3,5/6,2/3)' + set click here to show and hide
11	0.33333	0.83333	0.41667
12	0.33333	0.83333	0.91667

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

Atom	x	y	z
1	0.17316	0.01030	0.11288
2	0.15256	0.98970	0.38712
3	0.82684	0.98970	0.88712
4	0.84744	0.01030	0.61288
(2/3,1/6,1/3)' + set click here to show and hide
5	0.83983	0.17697	0.44621
6	0.81923	0.15637	0.72045
7	0.49351	0.15637	0.22045
8	0.51411	0.17697	0.94621
(1/3,1/3,2/3) + set click here to show and hide
9	0.50649	0.34363	0.77955
10	0.48589	0.32303	0.05379
11	0.16017	0.32303	0.55379
12	0.18077	0.34363	0.27955
(0,1/2,0)' + set click here to show and hide
13	0.17316	0.51030	0.11288
14	0.15256	0.48970	0.38712
15	0.82684	0.48970	0.88712
16	0.84744	0.51030	0.61288
(2/3,2/3,1/3) + set click here to show and hide
17	0.83983	0.67697	0.44621
18	0.81923	0.65637	0.72045
19	0.49351	0.65637	0.22045
20	0.51411	0.67697	0.94621
(1/3,5/6,2/3)' + set click here to show and hide
21	0.50649	0.84363	0.77955
22	0.48589	0.82303	0.05379
23	0.16017	0.82303	0.55379
24	0.18077	0.84363	0.27955

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

Atom	x	y	z
1	0.97940	0.07628	0.11288
2	0.82684	0.92372	0.38712
3	0.02060	0.92372	0.88712
4	0.17316	0.07628	0.61288
(2/3,1/6,1/3)' + set click here to show and hide
5	0.64607	0.24295	0.44621
6	0.49351	0.09039	0.72045
7	0.68727	0.09039	0.22045
8	0.83983	0.24295	0.94621
(1/3,1/3,2/3) + set click here to show and hide
9	0.31273	0.40961	0.77955
10	0.16017	0.25705	0.05379
11	0.35393	0.25705	0.55379
12	0.50649	0.40961	0.27955
(0,1/2,0)' + set click here to show and hide
13	0.97940	0.57628	0.11288
14	0.82684	0.42372	0.38712
15	0.02060	0.42372	0.88712
16	0.17316	0.57628	0.61288
(2/3,2/3,1/3) + set click here to show and hide
17	0.64607	0.74295	0.44621
18	0.49351	0.59039	0.72045
19	0.68727	0.59039	0.22045
20	0.83983	0.74295	0.94621
(1/3,5/6,2/3)' + set click here to show and hide
21	0.31273	0.90961	0.77955
22	0.16017	0.75705	0.05379
23	0.35393	0.75705	0.55379
24	0.50649	0.90961	0.27955

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.84744	0.91342	0.11288
2	0.02060	0.08658	0.38712
3	0.15256	0.08658	0.88712
4	0.97940	0.91342	0.61288
(2/3,1/6,1/3)' + set click here to show and hide
5	0.51411	0.08009	0.44621
6	0.68727	0.25325	0.72045
7	0.81923	0.25325	0.22045
8	0.64607	0.08009	0.94621
(1/3,1/3,2/3) + set click here to show and hide
9	0.18077	0.24675	0.77955
10	0.35393	0.41991	0.05379
11	0.48589	0.41991	0.55379
12	0.31273	0.24675	0.27955
(0,1/2,0)' + set click here to show and hide
13	0.84744	0.41342	0.11288
14	0.02060	0.58658	0.38712
15	0.15256	0.58658	0.88712
16	0.97940	0.41342	0.61288
(2/3,2/3,1/3) + set click here to show and hide
17	0.51411	0.58009	0.44621
18	0.68727	0.75325	0.72045
19	0.81923	0.75325	0.22045
20	0.64607	0.58009	0.94621
(1/3,5/6,2/3)' + set click here to show and hide
21	0.18077	0.74675	0.77955
22	0.35393	0.91991	0.05379
23	0.48589	0.91991	0.55379
24	0.31273	0.74675	0.27955

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ir1	Ir	0.00000	0.00000	0.00000	12	M_x,M_y,M_z	-0.072	-0.579	0.67	0.86

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mF1+	3	1	special	primary	3

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

Sr₃ZnIrO₆ (#1.649)

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

Sr3ZnIrO6 (#1.649)

Sr₃ZnIrO₆ (#1.649)