Inorganic Solid Phases

BaCa4H2Si16O38·10.4H2O (BaCa4Si16O36[OH]2[H2O]10.4) Crystal Structure

General Information

  • Phase Label(s): BaCa4Si16O36[OH]2[H2O]10.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): macdonaldite
  • Pearson Symbol: oS284
  • Space Group: 63
  • Phase Prototype: BaCa4Si16O34(O0.5[OH]0.5)4[H2O]10.4
  • Measurement Detail(s): Weissenberg photographs (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.083
  • Sample Detail(s): macdonaldite sample from U.S.A. California, Fresno County, chemical analysis; BaCa4H2Si16O38[H2O]10.4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaCa4Si16O36[OH]2[H2O]10.4
  • Alphabetic Formula: BaCa4[H2O]10.4O36[OH]2Si16
  • Published Formula: BaCa4H2Si16O38·10.4H2O
  • Refined Formula: BaCa4H22.80O48.40Si16
  • Wyckoff Sequence: 63,h12g3f7dc
  • Z Formula Units: 4
  • Density: ρ = 2.36 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_1217271

  • 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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