Inorganic Solid Phases

(Na12.72Ca0.14)(Ca1.84Mn0.16)(Ce0.49La0.32Th0.09Nd0.07Pr0.02)[(Si3.77P0.15Al0.04)O12](PO4)4 (Na12.72Ca1.98La0.32Th0.09Ce0.49Nd0.09Mn0.16Si3.81P0.15[PO4]4O12) Crystal Structure

General Information

  • Phase Label(s): Na12.72Ca1.98La0.32Th0.09Ce0.49Nd0.09Mn0.16Si3.81P0.15[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; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, phosphate, silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 1868 reflections; F > 6σ(F), R = 0.031; wR = 0.0799
  • Sample Detail(s): phosinaite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, Poudrette quarry, electron microprobe analysis; (Na12.72Ca0.14)(Ca1.84Mn0.16)(Ce0.49La0.32Th0.09Nd0.07Pr0.02)[(Si3.77P0.15Al0.04)O12][PO4]4, single crystal (determination of cell parameters), single crystal, 0.04×0.06×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na12.72Ca1.98La0.32Th0.09Ce0.49Nd0.09Mn0.16Si3.81P0.15[PO4]4O12
  • Alphabetic Formula: Ca1.98Ce0.49La0.32Mn0.16Na12.72Nd0.09O12P0.15[PO4]4Si3.81Th0.09
  • Published Formula: (Na12.72Ca0.14)(Ca1.84Mn0.16)(Ce0.49La0.32Th0.09Nd0.07Pr0.02)[(Si3.77P0.15Al0.04)O12](PO4)4
  • Refined Formula: Ca1.98Ce0.49La0.32Mn0.16Na12.72Nd0.09O28P4.15Si3.81Th0.09
  • Wyckoff Sequence: 18,c23b3a3
  • Z Formula Units: 2
  • Density: ρ = 3.09 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1818538

  • 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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