Inorganic Solid Phases

(Ca1.17Sr0.42Na0.39La0.02)Ca1(Ca1.76Ce0.13Nd0.03Pr0.08)Ca1'(Sr1.67Ca3.66La0.33Ce0.24Nd0.10)Ca2(PO4)6F2 (Na0.195Sr1.045Ca3.295La0.175Ce0.185Pr0.04Nd0.065[PO4]3F) Crystal Structure

General Information

  • Phase Label(s): Na0.195Sr1.045Ca3.295La0.175Ce0.185Pr0.04Nd0.065[PO4]3F
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): fluorcaphite
  • Pearson Symbol: hP42
  • Space Group: 173
  • Phase Prototype: (Sr0.6Ca0.4)5[PO4]3F
  • Measurement Detail(s): automatic diffractometer; 9382 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 67 variables; 1057 reflections; I > 4σ(I), R = 0.0205
  • Sample Detail(s): fluorcaphite sample from Russia, Kola Peninsula, Khibiny massif, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.195Sr1.045Ca3.295La0.175Ce0.185Pr0.04Nd0.065[PO4]3F
  • Alphabetic Formula: Ca3.295Ce0.185FLa0.175Na0.195Nd0.065[PO4]3Pr0.04Sr1.045
  • Published Formula: (Ca1.17Sr0.42Na0.39La0.02)Ca1(Ca1.76Ce0.13Nd0.03Pr0.08)Ca1'(Sr1.67Ca3.66La0.33Ce0.24Nd0.10)Ca2(PO4)6F2
  • Refined Formula: Ca3.30Ce0.19FLa0.18Na0.20Nd0.07O12P3Pr0.04Sr1.04
  • Wyckoff Sequence: 173,c6b2a
  • Z Formula Units: 2
  • Density: ρ = 3.64 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_1322166

  • 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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