Inorganic Solid Phases

(Ca,REE)(Ti,Nb)2(O,OH)6 (Ca0.89Ce0.11Ti0.7Nb1.3O5.41[OH]0.59) Crystal Structure

General Information

  • Phase Label(s): Ca0.89Ce0.11Ti0.7Nb1.3O5.41[OH]0.59
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fersmite
  • Pearson Symbol: oP36
  • Space Group: 60
  • Phase Prototype: Nb2FeO6
  • Measurement Detail(s): film (determination of cell parameters), Weissenberg photographs; KFOR (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, 227 reflections
  • Sample Detail(s): fersmite sample from Russia, Urals, Vishnevye Mountains, chemical analysis; Ca/REE ratio 65/10, Nb/Ti ratio 97/10, powder (determination of cell parameters), single crystal, 0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.87Ce0.13Ti0.19Nb1.81O5.94[OH]0.06
  • Alphabetic Formula: Ca0.87Ce0.13Nb1.81O5.94[OH]0.06Ti0.19
  • Published Formula: (Ca,REE)(Ti,Nb)2(O,OH)6
  • Refined Formula: Ca0.87Ce0.13H0.06Nb1.81O6Ti0.19
  • Wyckoff Sequence: 60,d4c
  • Z Formula Units: 4
  • Density: ρ = 4.87 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_1812396

  • 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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