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: B. Chafik, E. Idrissi, G. Venturini, B. Malaman, D. Fruchart, Journal of the Less-Common Metals (1991) 175 143 - 154
DOI: 10.1016/0022-5088(91)90359-C
Atomic positions from: same reference

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

Transition Temperature: <300 K
Experiment Temperature: 250 K

Lattice parameters of the magnetic unit cell:
5.53000 5.53000 9.02300 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P6/mm'm' (#191.240) (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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.00000	0.00000	0.50000	1	0,0,m_z	0.0	0.0	5.82(11)	5.82
Mn1	Mn	0.50000	0.00000	0.254(2)	6	0,0,m_z	0.0	0.0	-2.01(9)	2.01

[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
Cell parameters determined at 300K
Atomic positions determined at 250K
Collinear order below 423K. At some unspecified temperature, between 300K and 250K, a transition takes place with the spins aligning along the c direction.
Ferrimagnetic. FM along c

Comments (symmetry):

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

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