Inorganic Solid Phases

(Ca,Ce,REE)10(P,Si)6O24(OH,F)2 (Ca4.9Ce0.1[SiO4]0.2[PO4]2.8[OH]0.3F0.7) Crystal Structure

General Information

  • Phase Label(s): Ca4.9Ce0.1[SiO4]0.2[PO4]2.8[OH]0.3F0.7
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP46
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3[OH]0.92F0.08
  • 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): hydroxide, orthophosphate, orthosilicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 43 variables; 446 reflections; I > 3σ(I), R = 0.019; wR = 0.029
  • Sample Detail(s): apatite group sample from, electron microprobe analysis; (Ca9.28Na0.04Sr0.10La0.26Ce0.44Nd0.12Sm0.01Gd0.01)(P4.89Si0.81S0.04)O24F0.67[OH]1.33, single crystal (determination of cell parameters), single crystal, 0.16×0.16×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca4.7Ce0.3[SiO4]0.4[PO4]2.6[OH]0.7F0.3
  • Alphabetic Formula: Ca4.7Ce0.3F0.3[OH]0.7[PO4]2.6[SiO4]0.4
  • Published Formula: (Ca,Ce,REE)10(P,Si)6O24(OH,F)2
  • Refined Formula: Ca4.58Ce0.42F0.30H0.70O12.70P2.60Si0.41
  • Wyckoff Sequence: 176,ih4fea
  • Z Formula Units: 2
  • Density: ρ = 3.32 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_1616934

  • 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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