Inorganic Solid Phases

Sr0.80Ca0.05Ba0.01Ce0.62La0.40Nd0.09Pr0.03(CO3)2(OH)0.99F0.15·H2O (Ba0.005Sr0.4Ca0.025La0.20Ce0.325Nd0.045[CO3][OH]0.495F0.075[H2O]0.5 orth1) Crystal Structure

General Information

  • Phase Label(s): Ba0.005Sr0.4Ca0.025La0.20Ce0.325Nd0.045[CO3][OH]0.495F0.075[H2O]0.5 orth1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ancylite-(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; STOE STADI P (determination of structural parameters), X-rays, Mo Kα1 (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, multiphase; 50 variables, RP = 0.0187; wRP = 0.0238; RB = 0.0134
  • Sample Detail(s): ancylite sample from Russia, Kola Peninsula, Khibiny massif, energy-dispersive X-ray analysis; composition determined as Sr0.80Ca0.05Ba0.01Ce0.62La0.40Nd0.09Pr0.03[CO3]2[OH]0.99F0.15[H2O]; amounts of strontianite (4.2 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.005Sr0.4Ca0.025La0.20Ce0.325Nd0.045[CO3][OH]0.495F0.075[H2O]0.5
  • Alphabetic Formula: Ba0.005[CO3]Ca0.025Ce0.325F0.075[H2O]0.5La0.20Nd0.045[OH]0.495Sr0.4
  • Published Formula: Sr0.80Ca0.05Ba0.01Ce0.62La0.40Nd0.09Pr0.03(CO3)2(OH)0.99F0.15·H2O
  • Refined Formula: Ba0.01CCa0.03Ce0.57F0.07H1.39O3.93Sr0.40
  • Wyckoff Sequence: 62,dc4
  • Z Formula Units: 4
  • Density: ρ = 4.10 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_1121647

  • 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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