Inorganic Solid Phases

(Sr2.69Ca0.11Ba0.20)(La,Ce,Nd,Pr)1.02(PO4)0.99(CO3)3−x(OH,F)x (Ba0.2Sr2.69Ca0.11Ce[PO4][CO3]3) Crystal Structure

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General Information

  • Phase Label(s): Ba0.2Sr2.69Ca0.11Ce[PO4][CO3]3
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): daqingshanite-(Ce)
  • Pearson Symbol: hR63
  • Space Group: 160
  • Phase Prototype: Sr3Ce[PO4][CO3]3
  • 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): carbonate, orthophosphate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 276 reflections; I > 3σ(I), R = 0.017; wR = 0.020
  • Sample Detail(s): daqingshanite sample from Zambia (Northern Rhodesia), Nkombwa Hill, single crystal (determination of cell parameters), single crystal, 0.12×0.13×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.2Sr2.69Ca0.11Ce[PO4][CO3]3
  • Alphabetic Formula: Ba0.2[CO3]3Ca0.11Ce[PO4]Sr2.69
  • Published Formula: (Sr2.69Ca0.11Ba0.20)(La,Ce,Nd,Pr)1.02(PO4)0.99(CO3)3−x(OH,F)x
  • Refined Formula: Ba0.20C3Ca0.11CeO13PSr2.69
  • Wyckoff Sequence: 160,cb4a3
  • Z Formula Units: 3
  • Density: ρ = 4.19 Mg·m−3
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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_1813204

  • 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)

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