Inorganic Solid Phases

(Mn,Ca,Fe,Mg)2+4(Mn,Fe)3+9Sb5+[O16(SiO4)2] (Ca0.27Mg0.04Mn10.66Fe2.03Sb[SiO4]2O16) Crystal Structure

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General Information

  • Phase Label(s): Ca0.27Mg0.04Mn10.66Fe2.03Sb[SiO4]2O16
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): langbanite
  • Pearson Symbol: mS240
  • Space Group: 12
  • Phase Prototype: (Mn0.90Ca0.09Mg0.01)3(Mn0.80Fe0.20)10Sb[SiO4]2O16
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthosilicate, oxide
  • Interpretation Detail(s): average structure determined, full-matrix least-squares refinement; 53 variables; 455 reflections; I > 5σ(I), R = 0.057
  • Sample Detail(s): langbanite sample from Sweden, Värmland, Langban, single crystal (determination of cell parameters), single crystal, 0.20×0.25×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.32Mg0.04Mn10.66Fe1.98Sb[SiO4]2O16
  • Alphabetic Formula: Ca0.32Fe1.98Mg0.04Mn10.66O16Sb[SiO4]2
  • Published Formula: (Mn,Ca,Fe,Mg)2+4(Mn,Fe)3+9Sb5+[O16(SiO4)2]
  • Refined Formula: Ca0.26Fe2.03Mg0.05Mn10.66O24SbSi2
  • Wyckoff Sequence: 164,i4fed3cba
  • Z Formula Units: 1
  • Density: ρ = 4.94 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1012069

  • 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)

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