Inorganic Solid Phases

Na11(Na,Ca)2Ca2Ce0.67[Si4O12][PO4]4 (Na12Ca3Ce0.67Si4[PO4]4O12) Crystal Structure

General Information

  • Phase Label(s): Na12Ca3Ce0.67Si4[PO4]4O12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): phosinaite-(Ce)
  • Pearson Symbol: oP104
  • Space Group: 18
  • Phase Prototype: Na11(Na0.5Ca0.5)2Ca2Ce0.67Si4[PO4]4O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 117 reflections, R = 0.072
  • Sample Detail(s): phosinaite sample from Russia, Kola Peninsula, Lovozero massif, chemical analysis; [P2O5]25.50[SiO2]20.00[Ce2O3]11.67[Fe2O3]0.45[CaO]8.90[SrO]0.30[MnO]0.16[MgO]0.28[Na2O]29.76[K2O]0.50[H2O]2.38, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na12Ca3Ce0.67Si4[PO4]4O12
  • Alphabetic Formula: Ca3Ce0.67Na12O12[PO4]4Si4
  • Published Formula: Na11(Na,Ca)2Ca2Ce0.67[Si4O12][PO4]4
  • Refined Formula: Ca3Ce0.67Na12O28P4Si4
  • Wyckoff Sequence: 18,c23b3a3
  • Z Formula Units: 2
  • Density: ρ = 3.00 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
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1405314

  • 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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