Inorganic Solid Phases

Ca2[B3O3(OH)6]OH·3H2O (Ca2B3O3[OH]7[H2O]3) Crystal Structure

General Information

  • Phase Label(s): Ca2B3O3[OH]7[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): olshanskyite
  • Pearson Symbol: aP36
  • Space Group: 2
  • Phase Prototype: Ca2B3O3[OH]7[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, borate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 3833 reflections; I > 3σ(I), R = 0.017
  • Sample Detail(s): olshanskyite sample from Japan, Okayama Prefecture, Fuka mine, single crystal (determination of cell parameters), single crystal, 0.17×0.34×0.50 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2B3O3[OH]7[H2O]3
  • Alphabetic Formula: B3Ca2[H2O]3O3[OH]7
  • Published Formula: Ca2[B3O3(OH)6]OH·3H2O
  • Refined Formula: B3Ca2H13O13
  • Wyckoff Sequence: 2,i18
  • Z Formula Units: 2
  • Density: ρ = 2.20 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_1217199

  • 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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