Inorganic Solid Phases

Fe0.05-ZrSiO4 (ZrFe0.05[SiO4]0.95O0.175) Crystal Structure

General Information

  • Phase Label(s): ZrFe0.05[SiO4]0.95O0.175
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI24
  • Space Group: 141
  • Phase Prototype: Zr[SiO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D5005 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.0891; wRP = 0.106
  • Sample Detail(s): sample prepared from Zr(OC3H7)4, FeC15H24O6, Si(OC2H5)4, energy-dispersive X-ray analysis; 37.1(4) wt.% SiO2, 59.9(5) wt.% ZrO2, 3.0(5) wt.% Fe2O3; amounts of tetragonal phase (5.99 wt.%) and monoclinic phase (1.86 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: ZrFe0.05[SiO4]0.95O0.175
  • Alphabetic Formula: Fe0.05O0.175[SiO4]0.95Zr
  • Published Formula: Fe0.05-ZrSiO4
  • Refined Formula: Fe0.05O4Si0.95Zr
  • Wyckoff Sequence: 141,hba
  • Z Formula Units: 4
  • Density: ρ = 4.70 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226563

  • 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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