Inorganic Solid Phases

(REE,Ca,Th,U)(P,Si)O4 (Ca0.17Th0.17Ce0.5U0.16[SiO4]0.16[PO4]0.84) Crystal Structure

General Information

  • Phase Label(s): Ca0.17Th0.17Ce0.5U0.16[SiO4]0.16[PO4]0.84
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): cheralite
  • Pearson Symbol: mP24
  • Space Group: 14
  • Phase Prototype: Ce[PO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 690 reflections; I > 3σ(I), R = 0.022; wR = 0.025
  • Sample Detail(s): cheralite sample from India, Kerala State, Kuttakuzhi, electron microprobe analysis; (REE1.638Ca1.130Th1.033U4+0.162Pb0.036Sc0.002)(P3.806Si0.235)O16, single crystal (determination of cell parameters), single crystal, 0.16×0.16×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.29Th0.26Ce0.41U0.04[SiO4]0.01[PO4]0.99
  • Alphabetic Formula: Ca0.29Ce0.41[PO4]0.99[SiO4]0.01Th0.26U0.04
  • Published Formula: (REE,Ca,Th,U)(P,Si)O4
  • Refined Formula: Ca0.29Ce0.41O4P0.99Si0.01Th0.26U0.04
  • Wyckoff Sequence: 14,e6
  • Z Formula Units: 4
  • Density: ρ = 5.28 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_1624218

  • 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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