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: A. F. May, S. Calder, C. Cantoni, H. Cao, M. A. McGuire, PHYSICAL REVIEW B (2016) 93 014411
DOI: 10.1103/PhysRevB.93.014411
Atomic positions from: ICSD #4805

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

Transition Temperature: 140 K
Experiment Temperature: 60 K

Lattice parameters of the magnetic unit cell:
3.93628(4) 3.93628(4) 16.3535(3) 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P6₃/mm'c' (#194.270) (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/mm'm' (27.6.105)
    [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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.17210	1.	4	0,0,m_z	0.0	0.0	1.4(1)	1.40
Fe2	Fe	0.33333	0.66667	0.25000	0.71	2	0,0,m_z	0.0	0.0	1.4(1)	1.40

[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
Positional structure except cell parameters from a determination at 173K
FM along c

Comments (symmetry):

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

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