Inorganic Solid Phases

(Na,Ca,Ce,REE)10(P,Si)6O24F2 (Na0.05Ca4.7Ce0.25[SiO4]0.2[PO4]2.8F) Crystal Structure

General Information

  • Phase Label(s): Na0.05Ca4.7Ce0.25[SiO4]0.2[PO4]2.8F
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP42
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3F
  • Measurement Detail(s): automatic diffractometer; 25 (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, orthosilicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 42 variables; 419 reflections; I > 3σ(I), R = 0.015; wR = 0.018
  • Sample Detail(s): apatite group sample from U.S.A. New Mexico, Pajarito Mountain, electron microprobe analysis; (Ca7.67Na0.95Mn0.01Fe0.03Sr0.02Y0.03La0.34Ce0.57Pr0.04Nd0.20Sm0.02Gd0.01)(P5.78Si0.32)O24F2.16, single crystal (determination of cell parameters), single crystal, 0.12×0.12×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.5Ca3.8Ce0.7[SiO4]0.16[PO4]2.84F
  • Alphabetic Formula: Ca3.8Ce0.7FNa0.5[PO4]2.84[SiO4]0.16
  • Published Formula: (Na,Ca,Ce,REE)10(P,Si)6O24F2
  • Refined Formula: Ca3.89Ce0.63FNa0.48O12P2.85Si0.15
  • Wyckoff Sequence: 176,ih4fa
  • Z Formula Units: 2
  • Density: ρ = 3.55 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_1616932

  • 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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