Inorganic Solid Phases

BaCa2Al6Si9O30·2H2O (BaCa2Al6Si9O30[H2O]2) Crystal Structure

General Information

  • Phase Label(s): BaCa2Al6Si9O30[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): armenite
  • Pearson Symbol: oP220
  • Space Group: 30
  • Phase Prototype: BaCa2Al6Si9O30[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D15 (determination of structural parameters), neutrons; λ = 0.11734(6) nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined; diffraction techniques compared, full-matrix least-squares refinement on F2; 181 variables; 628 reflections; F > 4σ(F), R = 0.0753; wR = 0.1542
  • Sample Detail(s): armenite sample from Switzerland, Valais (Wallis), Wasenalp, single crystal (determination of cell parameters), single crystal, 1.75×2.5×3.0 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: BaCa2Al6Si9O30[H2O]2
  • Alphabetic Formula: Al6BaCa2[H2O]2O30Si9
  • Published Formula: BaCa2Al6Si9O30·2H2O
  • Refined Formula: Al6BaCa2H4.14O32.07Si9
  • Wyckoff Sequence: 30,c53b2a2
  • Z Formula Units: 4
  • Density: ρ = 2.75 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_1128180

  • 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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