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: E. J. T. Salter, J. N. Blandy, S. J. Clarke, Inorg. Chem. (2016) 55 1697 - 1701
DOI: 10.1021/acs.inorgchem.5b02615
Atomic positions from: same reference

Parent space group (paramagnetic phase): Cmcm (#63)
Propagation vector: k1 (1/2, 0, 0)
Experiment Temperature: 3.5 K

Lattice parameters of the magnetic unit cell:
7.9477(8) 12.6976(1) 6.07894(6) 90.00 90.00 90.00
Transformation from parent structure: (2a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_abcm (#57.386) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;7/8,1/4,0)
    [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\|
Co1	Co	0.00000	0.0954(2)	0.25000	8	0,0,m_z	0.0	0.0	2.75(2)	2.75

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mSM1	1	1	primary	1

Comments:

NPD
Transition temperature is not given.
The original reference assigned an incorrect lower symmetry. The MSG of the structure is here corrected.
See #1.573 for a similar model of this phase, where the MSG was corrected, and with a rather different moment magnitude.

Comments (symmetry):

1k magnetic structure
k-maximal symmetry
1-dim irrep as primary

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