Inorganic Solid Phases

(Mn8.13Fe7.00Mg0.86Zn0.01)(Si11.65Fe0.28Al0.05Ti0.02)(O29.67OH16.99Cl3.34) (Mn4Fe4Si6ClO15[OH]9) Crystal Structure

General Information

  • Phase Label(s): Mn4Fe4Si6ClO15[OH]9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pyrosmalite-(Fe)/pyrosmalite-(Mn)
  • Pearson Symbol: hP78
  • Space Group: 164
  • Phase Prototype: (Mn0.54Fe0.46)8Si6(Cl0.5[OH]0.5)3O15[OH]7
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 475 reflections; I > 3σ(I), R = 0.060; wR = 0.058
  • Sample Detail(s): manganpyrosmalite sample from Japan, Tochigi Prefecture, Kyurazawa mine, chemical analysis; (Mn8.13Fe7.00Mg0.86Zn0.01)(Si11.65Fe0.28Al0.05Ti0.02)(O29.67OH16.99Cl3.34), single crystal (determination of cell parameters), single crystal, 0.12×0.20×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mn4.3Fe3.7Si6Cl1.5O15[OH]8.5
  • Alphabetic Formula: Cl1.5Fe3.7Mn4.3O15[OH]8.5Si6
  • Published Formula: (Mn8.13Fe7.00Mg0.86Zn0.01)(Si11.65Fe0.28Al0.05Ti0.02)(O29.67OH16.99Cl3.34)
  • Refined Formula: Cl1.50Fe3.68H8.50Mn4.32O23.50Si6
  • Wyckoff Sequence: 164,j2i6hgeda
  • Z Formula Units: 2
  • Density: ρ = 3.14 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1617858

  • 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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