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	{ 2₁₀₀ \| 0 }
3	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
5	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
6	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	-x,y,z,-1	{ m'₁₀₀ \| 0 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
11	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
12	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
13	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
14	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
15	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
16	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.00000	0.00000	0.00000	4	0,0,0	0.0	0.0	0.0	0.00
Ru2	Ru	0.00000	0.87530	0.14870	8	0,m_y,m_z	0.0	-1.	0.0	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.23960	0.11410	8
Ba2	Ba	0.00000	0.53580	0.13910	8
O1	O	0.25000	0.37750	0.25000	8
O2	O	0.00000	0.03410	0.15310	8
O3	O	0.26930	0.39020	0.03340	16
O4	O	0.00000	0.73080	0.14920	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 Ru1:

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
2	0.50000	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
3	0.50000	0.50000	0.00000	0,0,0	0.00000	0.00000	0.00000
4	0.00000	0.50000	0.50000	0,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ru2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.87530	0.14870	0,m_y,m_z	0.00000	-1.00000	0.00000
2	0.00000	0.12470	0.85130	0,-m_y,-m_z	0.00000	1.00000	0.00000
3	0.50000	0.12470	0.64870	0,m_y,-m_z	0.00000	-1.00000	0.00000
4	0.50000	0.87530	0.35130	0,-m_y,m_z	0.00000	1.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.37530	0.14870	0,m_y,m_z	0.00000	-1.00000	0.00000
6	0.50000	0.62470	0.85130	0,-m_y,-m_z	0.00000	1.00000	0.00000
7	0.00000	0.62470	0.64870	0,m_y,-m_z	0.00000	-1.00000	0.00000
8	0.00000	0.37530	0.35130	0,-m_y,m_z	0.00000	1.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.00000	0.23960	0.11410
2	0.00000	0.76040	0.88590
3	0.50000	0.76040	0.61410
4	0.50000	0.23960	0.38590
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.73960	0.11410
6	0.50000	0.26040	0.88590
7	0.00000	0.26040	0.61410
8	0.00000	0.73960	0.38590

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.00000	0.53580	0.13910
2	0.00000	0.46420	0.86090
3	0.50000	0.46420	0.63910
4	0.50000	0.53580	0.36090
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.03580	0.13910
6	0.50000	0.96420	0.86090
7	0.00000	0.96420	0.63910
8	0.00000	0.03580	0.36090

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

Atom	x	y	z
1	0.25000	0.37750	0.25000
2	0.25000	0.62250	0.75000
3	0.75000	0.62250	0.75000
4	0.75000	0.37750	0.25000
(1/2,1/2,0) + set click here to show and hide
5	0.75000	0.87750	0.25000
6	0.75000	0.12250	0.75000
7	0.25000	0.12250	0.75000
8	0.25000	0.87750	0.25000

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

Atom	x	y	z
1	0.00000	0.03410	0.15310
2	0.00000	0.96590	0.84690
3	0.50000	0.96590	0.65310
4	0.50000	0.03410	0.34690
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.53410	0.15310
6	0.50000	0.46590	0.84690
7	0.00000	0.46590	0.65310
8	0.00000	0.53410	0.34690

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

Atom	x	y	z
1	0.26930	0.39020	0.03340
2	0.26930	0.60980	0.96660
3	0.76930	0.60980	0.53340
4	0.76930	0.39020	0.46660
5	0.23070	0.39020	0.46660
6	0.23070	0.60980	0.53340
7	0.73070	0.60980	0.96660
8	0.73070	0.39020	0.03340
(1/2,1/2,0) + set click here to show and hide
9	0.76930	0.89020	0.03340
10	0.76930	0.10980	0.96660
11	0.26930	0.10980	0.53340
12	0.26930	0.89020	0.46660
13	0.73070	0.89020	0.46660
14	0.73070	0.10980	0.53340
15	0.23070	0.10980	0.96660
16	0.23070	0.89020	0.03340

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.00000	0.73080	0.14920
2	0.00000	0.26920	0.85080
3	0.50000	0.26920	0.64920
4	0.50000	0.73080	0.35080
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.23080	0.14920
6	0.50000	0.76920	0.85080
7	0.00000	0.76920	0.64920
8	0.00000	0.23080	0.35080

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.00000	0.00000	0.00000	4	0,0,0	0.0	0.0	0.0	0.00
Ru2	Ru	0.00000	0.87530	0.14870	8	0,m_y,m_z	0.0	-1.	0.0	1.00

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3-	1	1	primary	2

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