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: Deepak Garg, C. Ritter, M. Skoulatos, S. Nandi, Yixi Su, Phys. Rev. B (2026) 113 144435
DOI: 10.1103/pbtn-g5wz
Atomic positions from: same reference

Parent space group (paramagnetic phase): P63/mmc (#194)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 9.8 K
Experiment Temperature: 1.6 K

Lattice parameters of the magnetic unit cell:
5.841 5.841 14.435 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P63'/m'm'c (#194.268) (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: NULL (NULL)
    [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	0	0	2	0,0,m_z	0.0	0.0	6.52(2)	6.52
Ru1	Ru	0.333333	0.666667	0.1627	4	0,0,m_z	0.0	0.0	-0.43(3)	0.43

[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
mGM4+	1	1	general	primary	2

Comments:

NPD.
The atomic coordinates included here are from the 1.6 K NPD refinement reported in Supplemental Table S1, while the lattice parameters are the 300 K XRD values reported in the article.

Comments (symmetry):

k-maximal magnetic symmetry
1-dim irrep

Bilbao Crystallographic Server
https://cryst.ehu.es

For comments, please mail to
administrador.bcs@ehu.eus