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: S. Chattopadhyay, V. Simonet, V. Skumryev, A.A. Mukhin, V.Y. Ivanov, M.I. Aroyo, D.Z. Dimitrov, M. Gospodinov and E. Ressouche, Physical Review B (2018) 98 134413.
DOI: 10.1103/physrevb.98.134413
Atomic positions from: ICSD #279601

Parent space group (paramagnetic phase): P6₃cm (#185)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 85 K
Experiment Temperature: 30 K

Lattice parameters of the magnetic unit cell:
6.05840 6.05840 11.35610 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P6₃'c'm (#185.199) (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' (25.3.93)
    [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\|
Yb1	Yb	0.00000	0.00000	0.27336	2	0,0,0	0.0	0.0	0.0	0.00
Yb2	Yb	0.33333	0.66667	0.23061	4	0,0,m_z	0.0	0.0	0.81(5)	0.81
Mn1	Mn	0.3343	0.00000	0.00000	6	m_x,2m_x,0	1.92	3.84	0.0	3.33

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3	1	1	primary	2

Comments:

NSD
Position structure, including unit cell, from a model at room temperature retrieved from the ICSD, except for the Mn coordinates.
See #0.30 for another model of this phase where the Yb moments are not ordered.

Comments (symmetry):

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

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