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 #66060

Parent space group (paramagnetic phase): Cmce (#64) (non-standard)
Transformation to a standard setting: (a,-c,b;0,0,0)
    [View matrix form]
Propagation vector: k1 (1, 0, 0)

Transition Temperature: 320 K
Experiment Temperature: 150 K

Lattice parameters of the magnetic unit cell:
5.37325(9) 5.5913(1) 12.0976(2) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_Cmna (#53.335) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,-c,b;0,0,0)
    [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\|
Ni1	Ni	0.00000	0.00000	0.00000	4	m_x,0,0	1.57(5)	0.0	0.0	1.57
Nd1	Nd	0.00000	0.9827(3)	0.3630(1)	8	m_x,0,0	0.0	0.0	0.0	0.00

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

Active Irreps:

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

Comments:

NPD
Non standard parent setting Bmab
Below 130K the system changes to a tetragonal phase (see #0.349)

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep as primary
Irrep label used here corresponds to the parent standard setting Cmce.

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