Inorganic Solid Phases

Mg8.805Fe0.006Ti0.214(Si0.993O4)4(F0.484OH0.516)2 (Mg8.8Ti0.2[SiO4]4O0.4[OH]0.6F, T = 20 K) Crystal Structure

General Information

  • Phase Label(s): Mg8.8Ti0.2[SiO4]4O0.4[OH]0.6F
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): clinohumite
  • Pearson Symbol: mP62
  • Space Group: 14
  • Phase Prototype: (Mg0.9Fe0.1)9[SiO4]4([OH]0.5F0.5)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Tennessee, Oak Ridge National Laboratory ORNL, HFIR (determination of structural parameters), neutrons; λ = 0.10037 nm (determination of cell and structural parameters), T = 20 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, fluoride, oxide
  • Interpretation Detail(s): positions of non-H and part of H atoms determined; temperature dependence studied, not specified; 153 variables; 1704 reflections; F > 3σ(F), R = 0.0386; wR = 0.053
  • Sample Detail(s): clinohumite sample from Tajikistan, Pamirs, Kukh-i-Lal, electron microprobe analysis; 56.3 wt.% MgO, 37.8 wt.% SiO2, 2.71 wt.% TiO2, 2.30 wt.% F, 1.17 wt.% H2O, 0.07 wt.% FeO, 0.02 wt.% MnO, 0.014 wt.% NiO, 0.001 wt.% Al2O3, 0.001 wt.% Cr2O3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg8.8Ti0.2[SiO4]4O0.4[OH]0.6F
  • Alphabetic Formula: FMg8.8O0.4[OH]0.6[SiO4]4Ti0.2
  • Published Formula: Mg8.805Fe0.006Ti0.214(Si0.993O4)4(F0.484OH0.516)2
  • Refined Formula: F0.98H0.84Mg8.78O17.02Si4Ti0.22
  • Wyckoff Sequence: 14,e15a
  • Z Formula Units: 2
  • Density: ρ = 3.21 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1811758

  • 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

    Citation copied