Inorganic Solid Phases

(Sr5.74Ba0.22)Na2.12(Ce1.18La0.64Nd0.34)(P6.06Si0.22)O24[F1.96(OH0.02)Cl0.02] (Na0.99Ba0.15Sr2.77La0.31Ce0.56Nd0.18[PO4]3Cl0.01F) Crystal Structure

General Information

  • Phase Label(s): Na0.99Ba0.15Sr2.77La0.31Ce0.56Nd0.18[PO4]3Cl0.01F
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): belovite-(Ce)
  • Pearson Symbol: hP43
  • Space Group: 147
  • Phase Prototype: Na(Na0.17Ba0.66Nd0.17)3Nd[PO4]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, chloride, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 72 variables; 657 reflections; I > 6σ(I), R = 0.014; wR = 0.019
  • Sample Detail(s): belovite sample from Russia, Kola Peninsula, Lovozero massif, electron microprobe analysis; (Sr5.74Ba0.22)Na2.12(Ce1.18La0.64Nd0.34)(P6.06Si0.22)O24[F1.96[OH0.02]Cl0.02], single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.99Ba0.15Sr2.77La0.31Ce0.56Nd0.18[PO4]3Cl0.01F
  • Alphabetic Formula: Ba0.15Ce0.56Cl0.01FLa0.31Na0.99Nd0.18[PO4]3Sr2.77
  • Published Formula: (Sr5.74Ba0.22)Na2.12(Ce1.18La0.64Nd0.34)(P6.06Si0.22)O24[F1.96(OH0.02)Cl0.02]
  • Refined Formula: Ba0.15Ce0.56Cl0.01FLa0.31Na0.99Nd0.18O12P3Sr2.77
  • Wyckoff Sequence: 147,g6d2ca
  • Z Formula Units: 2
  • Density: ρ = 4.22 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_1014090

  • 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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