Inorganic Solid Phases

Ca(Zr,Ca)2Zr4(Ti,Fe)2O16 (Ca1.8Zr5.2Ti1.83Fe0.17O16) Crystal Structure

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General Information

  • Phase Label(s): Ca1.8Zr5.2Ti1.83Fe0.17O16
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): calzirtite Q
  • Pearson Symbol: tI200
  • Space Group: 142
  • Phase Prototype: Ca(Ca0.4Zr0.6)2Zr4(Ti0.9Fe0.1)2O16
  • Measurement Detail(s): oscillation photographs (determination of cell and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, trial-and-error
  • Sample Detail(s): calzirtite sample from unknown, chemical analysis; Ca14.47Zr41.27Ti14.47Fe1.48Nb0.06O128, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca1.8Zr5.2Ti1.8Fe0.2O16
  • Alphabetic Formula: Ca1.8Fe0.2O16Ti1.8Zr5.2
  • Published Formula: Ca(Zr,Ca)2Zr4(Ti,Fe)2O16
  • Refined Formula: Ca1.81Fe0.18O16Ti1.82Zr5.16
  • Wyckoff Sequence: 142,g4f2e2b
  • Z Formula Units: 8
  • Density: ρ = 5.01 Mg·m−3
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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_1701122

  • 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)

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