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: R. Albrecht, J. Hunger, T. Block, R. Pottgen, A. Senyshyn, T. Doert and M. Ruck, ChemistryOpen (2019) 8 74-83.
DOI: 10.1002/open.201800229
Atomic positions from: same reference

Parent space group (paramagnetic phase): P-31c (#163)
Propagation vector: k1 (0, 0, 0)
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
5.1714(1) 5.17140 13.885(2) 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P-31c (#163.79) (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: -3m.1 (20.1.71)
    [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	Fe	0.33333	0.66667	0.00000	4	0,0,m_z	0.0	0.0	-4.18(4)	4.18
Fe2	Fe	0.00000	0.00000	0.11800(8)	4	0,0,m_z	0.0	0.0	3.97(4)	3.97

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	2

Comments:

NPD
H positions not determined

Comments (symmetry):

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

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