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: O.M. Collins and E.J. Cussen, Journal of Solid State Chemistry (2013) 200 215-220.
DOI: 10.1016/j.jssc.2013.01.023
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/m (#87)
Propagation vector: k1 (1, 1, 1)

Transition Temperature: 15 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
5.9725 5.9725 8.5821 90.0000 90.0000 90.0000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_I4/m (#83.50) (standard setting)
    [View symmetry operations]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4/m.1' (11.2.36)
    [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\|
Mo1	Mo	0.00000	0.00000	0.50000	2	0,0,m_z	0.0	0.0	0.11(3)	0.11
Nd1	Nd	0.00000	0.00000	0.00000	2	0,0,m_z	0.0	0.0	2.90(4)	2.90

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action
mM1+	1	1	primary

Comments:

NPD
one atomic position (Mo1) corrected

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (from 2 possible)

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