Inorganic Solid Phases

CaB3O3(OH)5·4H2O (CaB3O3[OH]5[H2O]4) Crystal Structure

General Information

  • Phase Label(s): CaB3O3[OH]5[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): inyoite
  • Pearson Symbol: mP64
  • Space Group: 14
  • Phase Prototype: CaB3O3[OH]5[H2O]4
  • Measurement Detail(s): Weissenberg photographs (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, borate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 2632 reflections, R = 0.13
  • Sample Detail(s): inyoite sample from, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: CaB3O3[OH]5[H2O]4
  • Alphabetic Formula: B3Ca[H2O]4O3[OH]5
  • Published Formula: CaB3O3(OH)5·4H2O
  • Refined Formula: B3CaH13O12
  • Wyckoff Sequence: 14,e16
  • Z Formula Units: 4
  • Density: ρ = 1.87 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_1621964

  • 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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