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,-z,-1	{ -1' \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,-1	-1'

Label	Atom type	x	y	z	Multiplicity
Sb1	Sb	0.33333	0.66667	0.25200	2

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.62100	m_x,m_y,m_z	-3.18000	0.00000	1.69000
2	0.66667	0.33333	0.37900	-m_x,-m_y,-m_z	3.18000	0.00000	-1.69000

Atom	x	y	z
1	0.33333	0.66667	0.25200
2	0.66667	0.33333	0.74800

Reference: A. Morozkin, O. Isnard, P. Henry, S. Granovsky, R. Nirmala and P. Manfrinetti, Journal of Alloys and Compounds (2006) 420 34-36.
DOI: 10.1016/j.jallcom.2005.10.051
Atomic positions from: ICSD #154766

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

Transition Temperature: 120 K
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
4.51920 4.51920 7.39980 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P-1' (#2.6) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1' (2.3.5)
    [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	0.00000	0.00000	0.00000	1	0,0,0	0.0	0.0	0.0	0.00
Mn1	Mn	0.33333	0.66667	0.62100	2	m_x,m_y,m_z	-3.18	0.0	1.69	3.60

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.66667	0.62100	m_x,m_y,m_z	-3.18000	0.00000	1.69000
2	0.66667	0.33333	0.37900	-m_x,-m_y,-m_z	3.18000	0.00000	-1.69000

[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	presence
mGM3-	2	2	general	primary	2
mGM1-	1	1		primary?	1	yes

Comments:

Comments (symmetry):

1k magnetic structure
2-dim irrep as primary. Although this irrep alone for a general direction can result in the observed MSG, the reported direction of the moments on the basal plane is along a special direction which keeps a higher monoclinic C2'/m symmetry. Not clear how in this case the direction on the xy plane, which usually remains undetermined when analyzing powder data could in this case be fully determined. The reduction to triclinic P-1' is due to the z-component of the Mn moments, which corresponds the 1-dim irrep mGM1-, which must then be taken as a second primary irrep.
The zero moment at the Yb site is symmetry-forced.

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

YbMn2Sb2 (#0.483)

YbMn₂Sb₂ (#0.483)