Inorganic Solid Phases

(Ba,Sr,Ca)2−x(Ce,La,Nd)x(CO3)2(OH,F)x·H2O, x= 1.0-1.5 (Ba0.01Sr1.01Ca0.02La0.28Ce0.57Nd0.11[CO3]2[OH]0.83F0.13[H2O]0.9 orth2) Crystal Structure

General Information

  • Phase Label(s): Ba0.01Sr1.01Ca0.02La0.28Ce0.57Nd0.11[CO3]2[OH]0.83F0.13[H2O]0.9 orth2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ancylite-(Ce)
  • Pearson Symbol: oP24
  • Space Group: 26
  • Phase Prototype: Sr1.02Ca0.02La0.28Ce0.57Nd0.11[CO3]2[OH]0.83F0.13[H2O]0.9
  • 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; 90 variables, RP = 0.0145; wRP = 0.0190; RB = 0.0153
  • Sample Detail(s): ancylite sample from Russia, Kola Peninsula, Khibiny massif, energy-dispersive X-ray analysis; composition determined as Sr1.01Ca0.02Ba0.01Ce0.52La0.28Nd0.11Pr0.04Sm0.01[CO3]2[OH]0.83F0.13[H2O]0.9, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.01Sr1.01Ca0.02La0.28Ce0.57Nd0.11[CO3]2[OH]0.83F0.13[H2O]0.9
  • Alphabetic Formula: Ba0.01[CO3]2Ca0.02Ce0.57F0.13[H2O]0.9La0.28Nd0.11[OH]0.83Sr1.01
  • Published Formula: (Ba,Sr,Ca)2−x(Ce,La,Nd)x(CO3)2(OH,F)x·H2O, x= 1.0-1.5
  • Refined Formula: Ba0.01C2Ca0.02Ce0.98F0.13H2.63O7.73Sr0.98
  • Wyckoff Sequence: 26,c2b4a4
  • Z Formula Units: 2
  • Density: ρ = 3.97 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_1121646

  • 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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