MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

working...

Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x-y,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
4	-x+y,y,z,+1	{ m₁₀₀ \| 0 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	-x+y,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }

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

Label	Atom type	x	y	z	Multiplicity
O1	O	0.33333	0.66667	0.31000	4
S1	S	0.00000	0.00000	0.00000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.14500	m_x,0,0	2.00000	0.00000	0.00000
2	0.66666	0.33333	0.35500	m_x,0,0	2.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.64500	-m_x,0,0	-2.00000	0.00000	0.00000
4	0.66666	0.33333	0.85500	-m_x,0,0	-2.00000	0.00000	0.00000

Atom	x	y	z
1	0.33333	0.66667	0.31000
2	0.66666	0.33333	0.19000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.81000
4	0.66666	0.33333	0.69000

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

Reference: R. Ballestracci, J. Rossat-Mignod, Solid State Communications (1969) 7 1011 - 1014
DOI: 10.1016/0038-1098(69)90074-X
Atomic positions from: ICSD #23583

Parent space group (paramagnetic phase): P-3m1 (#164)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 3 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
3.72600 3.72600 13.01800 90.00 90.00 120.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C_c2/m (#12.63) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-a-2b,a,c;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Yb1	Yb	0.33333	0.66667	0.14500	4	m_x,0,0	2.	0.0	0.0	2.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.14500	m_x,0,0	2.00000	0.00000	0.00000
2	0.66666	0.33333	0.35500	m_x,0,0	2.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.64500	-m_x,0,0	-2.00000	0.00000	0.00000
4	0.66666	0.33333	0.85500	-m_x,0,0	-2.00000	0.00000	0.00000

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

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mA3-	2	2	special	primary	1

Comments:

NPD
Position structure determined at room temperature

Comments (symmetry):

1k magnetic structure
2-dim irrep along a special direction as primary

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
administrador.bcs@ehu.eus

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

Yb2O2S (#1.576)

Yb₂O₂S (#1.576)