MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: P. Schobinger-Papamantellos, G. Andre, J. Rodriguez-Carvajal, K. Buschow and L. Durivault, Journal of Alloys and Compounds (2001) 325 29-36.
DOI: 10.1016/s0925-8388(01)01358-5
Atomic positions from: ICSD #107237

Parent space group (paramagnetic phase): Cmmm (#65)
Propagation vector: k1 (1, 0, 0)

Transition Temperature: 3.8 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
4.55040 27.21600 4.55380 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_Cmmn (#59.415) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;1/4,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm.1' (8.2.25)
    [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\|
Ce1	Ce	0.50000	0.00000	0.50000	2	0,0,0	0.0	0.0	0.0	0.00
Ce2	Ce	0.00000	0.18560	0.00000	4	m_x,0,0	1.9(1)	0.0	0.0	1.90

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mY2-	1	1	primary	1

Comments:

NPD
Some sites have partial occupancies, makinf tge composition different from the nominal one.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (6 possible)
1-dim irrep as primary
Null moment at Ce1 site is symmetry dictated

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

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