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: G. Venturini, R. Welter, B. Malaman, E. Ressouche, Journal of Alloys and Compounds (1993) 200 51 - 57
DOI: 10.1016/0925-8388(93)90470-8
Atomic positions from: ICSD #57416

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

Transition Temperature: 353 K
Experiment Temperature: 300 K

Lattice parameters of the magnetic unit cell:
5.50700 5.50700 17.98800 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: (-b,2a+b,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\|
Mn1_1	Mn	0.50000	0.00000	0.12800	8	m_x,m_y,0	0.0	1.33(1)	0.0	1.33
Mn1_2	Mn	0.00000	0.50000	0.12800	4	0,m_y,0	0.0	1.33(1)	0.0	1.33

[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 moments on the ab plane is undetermined. A direction of maximal symmetry has been assumed.
An incommensurate magnetic phase at lower temperatures.

Comments (symmetry):

1k magnetic structure
2-dim irrep along a special direction.
A secondary irrep is symmetry allowed, but not present.

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