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: H. Binczycka, Z. Dimitrijevic, B. Gajic, A. Szytula, physica status solidi (a) (1973) 19 K13 - K17
DOI: 10.1002/pssa.2210190145
Atomic positions from: ICSD #42439

Parent space group (paramagnetic phase): P6₃/mcm (#193)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 330 K
Experiment Temperature: 77 K

Lattice parameters of the magnetic unit cell:
6.80540 6.80540 4.72900 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P6₃/mc'm' (#193.260) (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\|
Mn1	Mn	0.33333	0.66667	0.00000	0.008	4	0,0,m_z	0.0	0.0	0.0	0.00
Fe1	Fe	0.33333	0.66667	0.00000	0.992	4	0,0,m_z	0.0	0.0	1.0(1)	1.00
Mn2	Mn	0.23330	0.00000	0.25000	0.328	6	0,0,m_z	0.0	0.0	1.2(1)	1.20
Fe2	Fe	0.23330	0.00000	0.25000	0.672	6	0,0,m_z	0.0	0.0	1.5(1)	1.50

[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	4

Comments:

NPD
Position structure from a determination at 293K
FM along c

Comments (symmetry):

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

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