MAGNDATA arrow Collection of Magnetic Structures

MAGNDATA: A Collection of magnetic structures with portable cif-type files

Log in

  Element search (separate with space or comma):     View Full Database  Advanced Search

To upload any published structure click HERE

  Enter the label of the structure:   

HoBaCuO5 (#2.85)

view in Jmol
Download mcif file
Download vesta file (all atoms)
Download vesta file (magnetic atoms only)


Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: P. Yanda, F. Orlandi, P. Manuel, N. Boudjada, J. Rodriguez-Carvajal, A. Sundaresan, PHYSICAL REVIEW B (2021) 104 144401
DOI: 10.1103/PhysRevB.104.144401
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector(s):
k1 (0, 1/2, 0)
k2 (0, 0, 0)

Transition Temperature: 8 K
Experiment Temperature: 2.3 K

Lattice parameters of the magnetic unit cell:
12.1776(3) 11.3235(3) 7.1228(2) 90.0000 90.0000 90.0000
Transformation from parent structure: (a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P21'/c (#14.77) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,c,a-b;0,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m (5.3.14)
    [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]

LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|

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

Active Irreps:                                           
Irrep decomposition via

labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mY1 2 2 special primary 9
mGM4- 1 1 primary 6
mGM3- 1 1 secondary 3 No

Comments (symmetry):

Bilbao Crystallographic Server
For comments, please mail to