Inorganic Solid Phases

Ca3La3(1−x)Ce3x(BO3)5, x= 0.30 (Ca3La1.5Ce1.5[BO3]5) Crystal Structure

General Information

  • Phase Label(s): Ca3La1.5Ce1.5[BO3]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP52
  • Space Group: 186
  • Phase Prototype: (Na0.6Ca0.3)3(Ba0.17Sr0.53Ca0.15Ce0.15)3[CO3]5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.0249; wRP = 0.0378; RB = 0.0088
  • Sample Detail(s): sample prepared from CaCO3, H3BO3, La2O3, CeO2, amounts of LaBO3 (3.27 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca3La2.1Ce0.9[BO3]5
  • Alphabetic Formula: [BO3]5Ca3Ce0.9La2.1
  • Published Formula: Ca3La3(1−x)Ce3x(BO3)5, x= 0.30
  • Refined Formula: B5Ca3Ce0.90La2.10O15
  • Wyckoff Sequence: 186,dc6ba
  • Z Formula Units: 2
  • Density: ρ = 4.52 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_1935368

  • 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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