Inorganic Solid Phases

Mg1.90Mn0.91Sb0.19O2BO3, Mg1.90Mn2+0.43Mn3+0.48Sb5+0.19O2BO3 (Mg3.80Mn1.82Sb0.38[BO3]2O4) Crystal Structure

General Information

  • Phase Label(s): Mg3.80Mn1.82Sb0.38[BO3]2O4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pinakiolite
  • Pearson Symbol: mS80
  • Space Group: 12
  • Phase Prototype: Mg3.5Mn1.5(Mg0.3Mn0.32Sb0.38)[BO3]2O4
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 42 variables; 533 reflections; I > 3σ(I), R = 0.047; wR = 0.062
  • Sample Detail(s): pinakiolite sample from Sweden, Värmland, Langban, electron microprobe analysis; Mg1.83Mn0.91Sb0.26O2BO3, single crystal (determination of cell parameters), single crystal, 0.008×0.12×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg3.80Mn1.82Sb0.38[BO3]2O4
  • Alphabetic Formula: [BO3]2Mg3.80Mn1.82O4Sb0.38
  • Published Formula: Mg1.90Mn0.91Sb0.19O2BO3, Mg1.90Mn2+0.43Mn3+0.48Sb5+0.19O2BO3
  • Refined Formula: B2Mg3.78Mn1.84O10Sb0.38
  • Wyckoff Sequence: 12,j3i12eca
  • Z Formula Units: 4
  • Density: ρ = 3.92 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1409487

  • 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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