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: K. Yamaguchi and H. Watanabe, Journal of the Physical Society of Japan (1967) 22 1210-1213.
DOI: 10.1143/jpsj.22.1210
Atomic positions from: same reference

Parent space group (paramagnetic phase): P6/mmm (#191)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 373 K
Experiment Temperature: 77 K

Lattice parameters of the magnetic unit cell:
5.28 5.28 8.88 90.00 90.00 120.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C_cmcm (#63.466) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,a+2b,c;0,0,0)
    [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\|
Fe1_1	Fe	0.50000	0.00000	0.00000	2	m_x,0,0	1.5(1)	0.0	0.0	1.50
Fe1_2	Fe	0.00000	0.50000	0.00000	4	m_x,m_y,0	1.5	0.0	0.0	1.50

[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
mA6+	2	2	special	primary	2
mA3+	1	1		secondary	1	no

Comments:

NPD
The direction of the spin one the basal plane is undetermined. The direction along a was taken arbitrarily.

Comments (symmetry):

1k magnetic structure
2-dim irrep along a special direction as primary
secondary irrep allowed but not present

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