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: J. Blasco, J. A. Rodriguez-Velamazan, G. Subias, M. C. Sanchez, J. L. Garcia-Munoz, Materials Research Bulletin (2022) 150 111780
DOI: 10.1016/j.materresbull.2022.111780
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4/nmm (#129)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 134 K
Experiment Temperature: 12 K

Lattice parameters of the magnetic unit cell:
5.5449(2) 5.5449(2) 7.6165(2) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P4/nm'm' (#129.417) (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: 4/mm'm' (15.6.58)
    [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	Mn	0.25000	0.25000	0.2731(12)	2	0,0,m_z	0.0	0.0	3.15(3)	3.15
Mn2	Mn	0.25000	0.25000	0.7482(11)	2	0,0,m_z	0.0	0.0	-4.06(4)	4.06

[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
Ferrimagnetic along c

Comments (symmetry):

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

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