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+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
8	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

[Hide]

Symmetry operations of the magnetic point group in the setting used:

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

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.41305	0.25000	0.73390	4	0,m_y,0	0.0	3.79(4)	0.0	3.79
Co2	Co	0.40905	0.25000	0.17460	4	0,m_y,0	0.0	-3.79	0.0	3.79

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.16515	0.25000	0.58720	4
Ba2	Ba	0.15120	0.25000	0.07420	4
Cl1	Cl	0.44085	0.25000	0.46930	4
F1	F	0.31500	0.00610	0.16040	8
F2	F	0.00230	0.00130	0.82790	8
F3	F	0.31900	0.00370	0.65440	8
F4	F	0.37325	0.25000	0.93410	4

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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.41305	0.25000	0.73390	0,m_y,0	0.00000	3.79000	0.00000
2	0.58695	0.75000	0.26610	0,m_y,0	0.00000	3.79000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.91305	0.25000	0.73390	0,-m_y,0	0.00000	-3.79000	0.00000
4	0.08695	0.75000	0.26610	0,-m_y,0	0.00000	-3.79000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.40905	0.25000	0.17460	0,m_y,0	0.00000	-3.79000	0.00000
2	0.59095	0.75000	0.82540	0,m_y,0	0.00000	-3.79000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.90905	0.25000	0.17460	0,-m_y,0	0.00000	3.79000	0.00000
4	0.09095	0.75000	0.82540	0,-m_y,0	0.00000	3.79000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.16515	0.25000	0.58720
2	0.83485	0.75000	0.41280
(1/2,0,0)' + set click here to show and hide
3	0.66515	0.25000	0.58720
4	0.33485	0.75000	0.41280

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

Atom	x	y	z
1	0.15120	0.25000	0.07420
2	0.84880	0.75000	0.92580
(1/2,0,0)' + set click here to show and hide
3	0.65120	0.25000	0.07420
4	0.34880	0.75000	0.92580

Set of atoms in the unit cell related by symmetry with the atom Cl1:

Atom	x	y	z
1	0.44085	0.25000	0.46930
2	0.55915	0.75000	0.53070
(1/2,0,0)' + set click here to show and hide
3	0.94085	0.25000	0.46930
4	0.05915	0.75000	0.53070

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.31500	0.00610	0.16040
2	0.68500	0.50610	0.83960
3	0.68500	0.99390	0.83960
4	0.31500	0.49390	0.16040
(1/2,0,0)' + set click here to show and hide
5	0.81500	0.00610	0.16040
6	0.18500	0.50610	0.83960
7	0.18500	0.99390	0.83960
8	0.81500	0.49390	0.16040

Set of atoms in the unit cell related by symmetry with the atom F2:

Atom	x	y	z
1	0.00230	0.00130	0.82790
2	0.99770	0.50130	0.17210
3	0.99770	0.99870	0.17210
4	0.00230	0.49870	0.82790
(1/2,0,0)' + set click here to show and hide
5	0.50230	0.00130	0.82790
6	0.49770	0.50130	0.17210
7	0.49770	0.99870	0.17210
8	0.50230	0.49870	0.82790

Set of atoms in the unit cell related by symmetry with the atom F3:

Atom	x	y	z
1	0.31900	0.00370	0.65440
2	0.68100	0.50370	0.34560
3	0.68100	0.99630	0.34560
4	0.31900	0.49630	0.65440
(1/2,0,0)' + set click here to show and hide
5	0.81900	0.00370	0.65440
6	0.18100	0.50370	0.34560
7	0.18100	0.99630	0.34560
8	0.81900	0.49630	0.65440

Set of atoms in the unit cell related by symmetry with the atom F4:

Atom	x	y	z
1	0.37325	0.25000	0.93410
2	0.62675	0.75000	0.06590
(1/2,0,0)' + set click here to show and hide
3	0.87325	0.25000	0.93410
4	0.12675	0.75000	0.06590

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.41305	0.25000	0.73390	4	0,m_y,0	0.0	3.79(4)	0.0	3.79
Co2	Co	0.40905	0.25000	0.17460	4	0,m_y,0	0.0	-3.79	0.0	3.79

label	dim. small irrep	dim. full irrep	action	number of modes
mY1+	1	1	primary	2

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