Inorganic Solid Phases

(Fe2+0.6Fe3+1.4)(Ti4+0.6Al3+0.3V3+6.9Fe3+0.2)O14(OH)2 (Ti0.3V3.45Fe1.1Al0.15O7[OH]) Crystal Structure

General Information

  • Phase Label(s): Ti0.3V3.45Fe1.1Al0.15O7[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): nolanite
  • Pearson Symbol: hP26
  • Space Group: 186
  • Phase Prototype: Zn2Mo3O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, 737 reflections; F > 4σ(F), R = 0.036; wR = 0.036
  • Sample Detail(s): nolanite sample from Australia, Western Australia, Kalgoorlie, electron microprobe analysis; 45.0 wt.% V, 15.9 wt.% Fe, 3.7 wt.% Ti, 0.9 wt.% Al et al., single crystal (determination of cell parameters), single crystal, 0.075×0.075×0.137 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ti0.3V3.45Fe1.1Al0.15O7[OH]
  • Alphabetic Formula: Al0.15Fe1.1O7[OH]Ti0.3V3.45
  • Published Formula: (Fe2+0.6Fe3+1.4)(Ti4+0.6Al3+0.3V3+6.9Fe3+0.2)O14(OH)2
  • Refined Formula: Al0.16Fe1.08HO8Ti0.32V3.44
  • Wyckoff Sequence: 186,c3b3a
  • Z Formula Units: 2
  • Density: ρ = 4.59 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616015

  • 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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