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: V.J. MINKIEWICZ, COX D. E. and G. SHIRANE, Le Journal de Physique Colloques (1971) 32 C1-892-C1-894.
DOI: 10.1051/jphyscol:19711316
Atomic positions from: same reference

Parent space group (paramagnetic phase): P6₃/mmc (#194)
Propagation vector: k1 (1/3, 1/3, 0)

Transition Temperature: 36 K
Experiment Temperature: 4.45 K

Lattice parameters of the magnetic unit cell:
12.62670 12.62670 6.19000 90.00 90.00 120.00
Transformation from parent structure: (a-b,a+2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P6₃'/m'cm' (#193.259) (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: 6'/m'mm' (27.5.104)
    [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_1	Co	0.00000	0.00000	0.00000	2	0,0,m_z	0.0	0.0	3.4(2)	3.40
Co1_2	Co	0.33333	0.66667	0.00000	4	0,0,m_z	0.0	0.0	-3.4	3.40

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

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mK3	2	1	special	primary	1
mGM4+	1	1		secondary	1	no

Comments:

NPD
Structure described in the standard setting of its MSG

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (6 possible)
2-dim irrep as primary
A secondary irrep mode is symmetry allowed, but not present. It makes possible different mz values for the two Co split sites.

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