Inorganic Solid Phases

Mg7.44Fe2+1.09Mn2+0.02Ni2+0.02Ti0.43(SiO4)4OH1.14O0.86 (Mg7.4Ti0.5Fe1.1[SiO4]4O[OH]) Crystal Structure

General Information

  • Phase Label(s): Mg7.4Ti0.5Fe1.1[SiO4]4O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hydroxylclinohumite
  • 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; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement; 1746 reflections; I > 3σ(I), R = 0.026; wR = 0.030
  • Sample Detail(s): clinohumite sample from U.S.A. Arizona, Buell Park, electron microprobe analysis; Mg7.437Fe2+1.088Mn2+0.023Ni2+0.018Cr3+0.005Ti0.429[SiO4]4[OH]1.142O0.848, single crystal (determination of cell parameters), single crystal, 0.16 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg7.5Ti0.4Fe1.1[SiO4]4O0.8[OH]1.2
  • Alphabetic Formula: Fe1.1Mg7.5O0.8[OH]1.2[SiO4]4Ti0.4
  • Published Formula: Mg7.44Fe2+1.09Mn2+0.02Ni2+0.02Ti0.43(SiO4)4OH1.14O0.86
  • Refined Formula: Fe1.14H1.20Mg7.44O18Si4Ti0.42
  • Wyckoff Sequence: 14,e15a
  • Z Formula Units: 2
  • Density: ρ = 3.36 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615807

  • 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