Inorganic Solid Phases

ludwigite (Mg1.85Fe0.75Al0.40[BO3]O2) Crystal Structure

General Information

  • Phase Label(s): Mg1.85Fe0.75Al0.40[BO3]O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ludwigite
  • Pearson Symbol: oP36
  • Space Group: 55
  • Phase Prototype: Mg2Fe[BO3]O2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4P (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 672 reflections; F > 5σ(F), R = 0.0279
  • Sample Detail(s): ludwigite sample from Sweden, Västmanland, Norberg, Tallgruvan, electron microprobe analysis; 39.93 wt.% MgO, 38.50 wt.% Fe2O3, 17.82 wt.% B2O3, 2.35 wt.% Al2O3, 1.12 wt.% FeO, 0.17 wt.% SiO2, 0.08 wt.% TiO2, 0.04 wt.% MnO, single crystal (determination of cell parameters), single crystal, 0.040×0.080×0.100 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg1.93Fe0.97Al0.09[BO3]O2
  • Alphabetic Formula: Al0.09[BO3]Fe0.97Mg1.93O2
  • Published Formula: ludwigite
  • Refined Formula: Al0.09BFe0.98Mg1.93O5
  • Wyckoff Sequence: 55,h3g5da
  • Z Formula Units: 4
  • Density: ρ = 3.78 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1813271

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

    Citation copied