Inorganic Solid Phases

(Ca0.30Sr0.22)(Ce0.78La0.47Nd0.16Pr0.05Sm0.02)(CO3)2((OH)1.20F0.28)·1.97H2O; (REE1.44Ca0.24Sr0.22)(CO3)2[(OH)1.24(H2O)0.76] (Sr0.11Ca0.15La0.24Ce0.39Pr0.03Nd0.08[CO3][OH]0.6F0.14[H2O]0.99) Crystal Structure

General Information

  • Phase Label(s): Sr0.11Ca0.15La0.24Ce0.39Pr0.03Nd0.08[CO3][OH]0.6F0.14[H2O]0.99
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): calcioancylite-(Ce)
  • Pearson Symbol: oP24
  • Space Group: 62
  • Phase Prototype: (Sr0.20Ca0.11La0.28Ce0.41)[CO3]([OH]0.69[H2O]0.31)
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; ADP-2 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0263; wRP = 0.0345; RB = 0.0279
  • Sample Detail(s): calcioancylite-(Ce) sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, energy-dispersive X-ray analysis; 4.07 wt.% CaO, 5.34 wt.% SrO, 0.08 wt.% BaO, 18.15 wt.% La2O3, 30.39 wt.% Ce2O3, 2.11 wt.% Pr2O3, 6.28 wt.% Nd2O3, 0.75 wt.% Sm2O3, 0.11 wt.% ThO2, 1.27 wt.% F, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.11Ca0.15La0.24Ce0.39Pr0.03Nd0.08[CO3][OH]0.6F0.14[H2O]0.99
  • Alphabetic Formula: [CO3]Ca0.15Ce0.39F0.14[H2O]0.99La0.24Nd0.08[OH]0.6Pr0.03Sr0.11
  • Published Formula: (Ca0.30Sr0.22)(Ce0.78La0.47Nd0.16Pr0.05Sm0.02)(CO3)2((OH)1.20F0.28)·1.97H2O; (REE1.44Ca0.24Sr0.22)(CO3)2[(OH)1.24(H2O)0.76]
  • Refined Formula: CCa0.12Ce0.72H1.38O4Sr0.11
  • Wyckoff Sequence: 62,dc4
  • Z Formula Units: 4
  • Density: ρ = 4.51 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1140964

  • 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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