Inorganic Solid Phases

Mg4.95Fe0.05(SiO4)2F1.3(OH)0.7 (Mg4.95Fe0.05[SiO4]2[OH]0.7F1.3) Crystal Structure

General Information

  • Phase Label(s): Mg4.95Fe0.05[SiO4]2[OH]0.7F1.3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chondrodite
  • Pearson Symbol: mP34
  • Space Group: 14
  • Phase Prototype: Ca5[SiO4]2[OH]2
  • Measurement Detail(s): Weissenberg photographs; 91 (determination of cell parameters), diffractometer (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 660 reflections; I > 0σ(I), R = 0.039; wR = 0.035
  • Sample Detail(s): chondrodite sample from Finland, Hangleby, electron microprobe analysis; 35.17 wt.% SiO2, 59.92 wt.% MgO, 6.97 wt.% F, 0.71 wt.% FeO et al., single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg4.95Fe0.05[SiO4]2[OH]0.7F1.3
  • Alphabetic Formula: F1.3Fe0.05Mg4.95[OH]0.7[SiO4]2
  • Published Formula: Mg4.95Fe0.05(SiO4)2F1.3(OH)0.7
  • Refined Formula: F1.30Fe0.05H0.70Mg4.95O8.70Si2
  • Wyckoff Sequence: 14,e8a
  • Z Formula Units: 2
  • Density: ρ = 3.18 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_1615512

  • 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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