Inorganic Solid Phases

Mg7.34Fe1.45Ti0.26(SiO4)4(OH,F,O) (Mg7.23Ti0.26Fe1.51[SiO4]4O0.52[OH]1.08F0.40) Crystal Structure

General Information

  • Phase Label(s): Mg7.23Ti0.26Fe1.51[SiO4]4O0.52[OH]1.08F0.40
  • 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; 25 (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, fluoride, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 140 variables; 1644 reflections; I > 0σ(I), R = 0.036; wR = 0.060
  • Sample Detail(s): clinohumite sample from Canada, Ontario, Cargill Lake, electron microprobe analysis; (Mg0.82Fe0.17Mn0.01)8.05[SiO4]4Mg0.74Ti0.26F0.40OH1.08O0.52, single crystal (determination of cell parameters), single crystal, 0.10×0.12×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg7.23Ti0.26Fe1.51[SiO4]4O0.52[OH]1.08F0.40
  • Alphabetic Formula: F0.40Fe1.51Mg7.23O0.52[OH]1.08[SiO4]4Ti0.26
  • Published Formula: Mg7.34Fe1.45Ti0.26(SiO4)4(OH,F,O)
  • Refined Formula: F0.40Fe1.51H1.08Mg7.23O17.60Si4Ti0.26
  • Wyckoff Sequence: 14,e15a
  • Z Formula Units: 2
  • Density: ρ = 3.41 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_1014166

  • 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