Inorganic Solid Phases

Ca4Bi4.3(SiO4)(HSiO4)5O0.95 (H2.5Ca2Bi2.15[SiO4]3O0.475) Crystal Structure

General Information

  • Phase Label(s): H2.5Ca2Bi2.15[SiO4]3O0.475
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP42
  • Space Group: 176
  • Phase Prototype: La4.67[SiO4]3O
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, multiphase, wRP = 0.1659
  • Sample Detail(s): sample prepared from Ca[NO3]2[H2O]4, Bi[NO3]3[H2O]5, silica KIT-6, amounts of Bi4[SiO4]3 and CaSiO3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H2.5Ca2Bi2.15[SiO4]3O0.475
  • Alphabetic Formula: Bi2.15Ca2H2.5O0.475[SiO4]3
  • Published Formula: Ca4Bi4.3(SiO4)(HSiO4)5O0.95
  • Refined Formula: Bi2.13Ca2.01H2.50O12.48Si3
  • Wyckoff Sequence: 176,ih4fa
  • Z Formula Units: 2
  • Density: ρ = 4.80 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1225385

  • 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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