Inorganic Solid Phases

Ca4B5Si3O15(OH)5 (Ca[SiO4]0.75B1.25O0.75[OH]1.25) Crystal Structure

General Information

  • Phase Label(s): Ca[SiO4]0.75B1.25O0.75[OH]1.25
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bakerite
  • Pearson Symbol: mP32
  • Space Group: 14
  • Phase Prototype: Ca[SiO4]B[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), neutrons; λ = 0.1909708 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, borate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0194; wRP = 0.0237
  • Sample Detail(s): bakerite sample from U.S.A. California, Inyo County, Death Valley, Corkscrew Canyon, chemical analysis; 34.01 wt.% CaO, 29.54 wt.% B2O3, 27.38 wt.% SiO2, 8.93 wt.% H2O, 0.14 wt.% Al2O3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca[SiO4]0.75B1.25O0.75[OH]1.25
  • Alphabetic Formula: B1.25CaO0.75[OH]1.25[SiO4]0.75
  • Published Formula: Ca4B5Si3O15(OH)5
  • Refined Formula: B1.25CaH1.25O5Si0.75
  • Wyckoff Sequence: 14,e8
  • Z Formula Units: 4
  • Density: ρ = 2.99 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1121454

  • 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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