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: J. Rodriguez-Carvajal, M.T. Fernandez-Diaz, J.L. Martinez, F. Fernandez and R. Saez-Puche, Europhysics Letters (EPL) (1990) 11 261-268.
DOI: 10.1209/0295-5075/11/3/013
Atomic positions from: ICSD #66061

Parent space group (paramagnetic phase): P4₂/ncm (#138)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 130 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
5.480(1) 5.480 12.057(8) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P4₂/nc'm' (#138.525) (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: 4/mm'm' (15.6.58)
    [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\|
Ni1	Ni	0.00000	0.00000	0.00000	4	m_x,m_x,m_z	1.09	1.09	0.4(2)	1.59
Nd1	Nd	0.9879(5)	0.98790	0.3641(2)	8	m_x,m_x,m_z	-2.03	-2.03	1.0(2)	3.04

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3+	1	1	primary	4

Comments:

NPD
At 130K a structural transition takes place changing from an orthorhombic phase (see #1.371) to this tetragonal phase, both magnetically ordered.
The Nd moments only order below 8K without addtional symmetry breaking

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (12 possible)
1-dim irrep as primary

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