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: D. Xu, M. Avdeev, P.D. Battle and X.-Q. Liu, Inorganic Chemistry (2017) 56 2750-2762.
DOI: 10.1021/acs.inorgchem.6b02905
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4/nbm (#125)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 8 K
Experiment Temperature: 1.6 K

Lattice parameters of the magnetic unit cell:
9.83170 9.83170 4.90240 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P4'/nbm' (#125.367) (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 (15.4.56)
    [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\|

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	2

Comments:

NPD

Comments (symmetry):

k-maximal magnetic symmetry (6 possible)
1-dim irrep active: one to one relation between irrep and MSG
An oblique spin component on the xy plane is symmetry allowed

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