Inorganic Solid Phases

(Ca,Ce,Na,K)2(Nb,Fe)2O6(O,OH,F) (K0.25Na0.375Ca1.125Ce0.25Nb1.625Fe0.375O6[OH]0.75F0.125[H2O]0.125) Crystal Structure

General Information

  • Phase Label(s): K0.25Na0.375Ca1.125Ce0.25Nb1.625Fe0.375O6[OH]0.75F0.125[H2O]0.125
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s): hydroxycalciopyrochlore
  • Pearson Symbol: cF88
  • Space Group: 227
  • Phase Prototype: (Na0.5Ca0.5)2Nb2O6F
  • Measurement Detail(s): film (determination of cell parameters), rotation photographs (determination of structural parameters), X-rays, Cr Kα; λ = 0.2287 nm (determination of cell parameters), X-rays (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, fluoride, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, trial-and-error
  • Sample Detail(s): pyrochlore group sample from Germany, Baden-Württemberg, Kaiserstuhl, sample prepared from pyrochlore, chemical analysis; Ca8.72Mn0.005Mg0.21Fe3.78Ce1.53La0.32Ti0.20Zr0.15Nb13.02Ta0.02Na2.88K1.02[H2O]2.48O52.81F0.93, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.25Na0.375Ca1.125Ce0.25Nb1.625Fe0.375O6[OH]0.75F0.125[H2O]0.125
  • Alphabetic Formula: Ca1.125Ce0.25F0.125Fe0.375[H2O]0.125K0.25Na0.375Nb1.625O6[OH]0.75
  • Published Formula: (Ca,Ce,Na,K)2(Nb,Fe)2O6(O,OH,F)
  • Refined Formula: Ca1.13Ce0.25F0.13Fe0.37HK0.25Na0.37Nb1.63O6.88
  • Wyckoff Sequence: 227,fdca
  • Z Formula Units: 8
  • Density: ρ = 4.57 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_1713561

  • 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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