Inorganic Solid Phases

Sr3Na(La,Ce)[PO4]3(F,OH) (NaSr3La0.6Ce0.4[PO4]3[OH]0.5F0.5) Crystal Structure

General Information

  • Phase Label(s): NaSr3La0.6Ce0.4[PO4]3[OH]0.5F0.5
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): belovite-(La)
  • Pearson Symbol: hP42
  • Space Group: 147
  • Phase Prototype: NaSr3Ce[PO4]3[OH]
  • 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): hydroxide, orthophosphate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 32 variables, RP = 0.0346; wRP = 0.0445; RB = 0.0275
  • Sample Detail(s): belovite sample from Russia, Kola Peninsula, Khibiny massif, sample prepared from belovite-(La), chemical analysis; (Sr2.86Ba0.12Ca0.06)Na0.98[La0.59Ce0.37(Pr,Nd,Th)0.03][(P2.95Si0.03)O11.9][F,OH], powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaSr3La0.6Ce0.4[PO4]3[OH]0.5F0.5
  • Alphabetic Formula: Ce0.4F0.5La0.6Na[OH]0.5[PO4]3Sr3
  • Published Formula: Sr3Na(La,Ce)[PO4]3(F,OH)
  • Refined Formula: Ba0.12Ca0.06Ce0.40F0.50H0.50La0.60Na0.98O12.50P3Sr2.76
  • Wyckoff Sequence: 147,g6d2c
  • Z Formula Units: 2
  • Density: ρ = 4.16 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1715520

  • 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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