Inorganic Solid Phases

MgFe3+O(BO3) (Mg1.2Ti0.3Fe0.1Al0.2[BO3]O) Crystal Structure

General Information

  • Phase Label(s): Mg1.2Ti0.3Fe0.1Al0.2[BO3]O
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): warwickite
  • Pearson Symbol: oP28
  • Space Group: 62
  • Phase Prototype: Mg(Mg0.5Ti0.5)[BO3]O
  • Measurement Detail(s): automatic diffractometer; 100 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 543 reflections; I > 3σ(I), R = 0.0234; wR = 0.0260
  • Sample Detail(s): yuanfuliite sample from Greenland, Inglefield Land, sample prepared from yuanfuliite, electron microprobe analysis; Mg0.96Fe2+0.13Al0.23Cr0.02Fe3+0.59Ti0.07BO4, single crystal (determination of cell parameters), single crystal, 0.06×0.06×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.96Ti0.07Fe0.74Al0.23[BO3]O
  • Alphabetic Formula: Al0.23[BO3]Fe0.74Mg0.96OTi0.07
  • Published Formula: MgFe3+O(BO3)
  • Refined Formula: Al0.22BCr0.02Fe0.72Mg0.96Mn0.01O4Ti0.07
  • Wyckoff Sequence: 62,c7
  • Z Formula Units: 4
  • Density: ρ = 3.72 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_1601676

  • 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

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