Inorganic Solid Phases

Na(Ca,Sr)3Ce(PO4)3(F,OH) (NaSr1.2Ca1.8La0.3Ce0.6Nd0.1[PO4]3[OH]0.3F0.7) Crystal Structure

General Information

  • Phase Label(s): NaSr1.2Ca1.8La0.3Ce0.6Nd0.1[PO4]3[OH]0.3F0.7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): deloneite
  • Pearson Symbol: hP44
  • Space Group: 143
  • Phase Prototype: Na1.1Sr1.2Ca1.8La0.4Ce0.6Nd0.3[PO4]3[OH]0.3F0.7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 735 reflections; F > 3σ(F), R = 0.087
  • Sample Detail(s): deloneite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Koashva, electron microprobe analysis; (Na1.93K0.02)(Ca3.54Sr2.36Ba0.01)(Ce1.08La0.67Nd0.30Pr0.09Sm0.03)(P5.81Si0.17)O24(F1.44[OH]0.56), single crystal (determination of cell parameters), single crystal, 0.15×0.20×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaSr1.2Ca1.8La0.3Ce0.6Nd0.1[PO4]3[OH]0.3F0.7
  • Alphabetic Formula: Ca1.8Ce0.6F0.7La0.3NaNd0.1[OH]0.3[PO4]3Sr1.2
  • Published Formula: Na(Ca,Sr)3Ce(PO4)3(F,OH)
  • Refined Formula: Ca1.77Ce0.60F0.70H0.31La0.35Na1.01Nd0.10O12.31P3Pr0.03Sr1.15
  • Wyckoff Sequence: 143,d12c2b2a4
  • Z Formula Units: 2
  • Density: ρ = 3.89 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_1214121

  • 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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