Inorganic Solid Phases

(Mn0.68Mg0.30Fe0.01Ca0.01)7(SiO4)3(OH)2 (Ca0.07Mg2.10Mn4.76Fe0.07[SiO4]3[OH]2) Crystal Structure

General Information

  • Phase Label(s): Ca0.07Mg2.10Mn4.76Fe0.07[SiO4]3[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): manganhumite
  • Pearson Symbol: oP96
  • Space Group: 62
  • Phase Prototype: Mg6(Mg0.6Fe0.4)[SiO4]3([OH]0.5F0.5)2
  • Measurement Detail(s): automatic diffractometer; 22 (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell parameters), X-rays, Mo Kα1; λ = 0.070926 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1562 reflections; F > 2σ(F), R = 0.051; wR = 0.081
  • Sample Detail(s): manganhumite sample from Sweden, Värmland, Nordmark, Brattfors mine, powder (determination of cell parameters), single crystal, 0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.07Mg2.10Mn4.76Fe0.07[SiO4]3[OH]2
  • Alphabetic Formula: Ca0.07Fe0.07Mg2.10Mn4.76[OH]2[SiO4]3
  • Published Formula: (Mn0.68Mg0.30Fe0.01Ca0.01)7(SiO4)3(OH)2
  • Refined Formula: H2Mg2.10Mn4.90O14Si3
  • Wyckoff Sequence: 62,d10c4
  • Z Formula Units: 4
  • Density: ρ = 3.83 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_2042045

  • 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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