Inorganic Solid Phases

(Ba1.82Sr0.01K0.11Na0.03)(Al3.90Si6.13)O20·7.30H2O (K0.055Ba0.93Al1.95Si3.05O10[H2O]3.65, p = 4.61 GPa) Crystal Structure

General Information

  • Phase Label(s): K0.055Ba0.93Al1.95Si3.05O10[H2O]3.65
  • Structure Class(es): zeolite EDI
  • Classification by Properties:
  • Mineral Name(s): edingtonite 1Q
  • Pearson Symbol: tP42
  • Space Group: 113
  • Phase Prototype: Ba2(Al0.4Si0.6)10O20[H2O]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), p = 4.61 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, full-matrix least-squares refinement; 27 variables; 193 reflections; F > 4σ(F), R = 0.054
  • Sample Detail(s): edingtonite sample from Canada, British Columbia, Ice River, single crystal (determination of cell parameters), single crystal, 0.060×0.100×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.1Ba1.9Al3.9Si6.1O20[H2O]7.3
  • Alphabetic Formula: Al3.9Ba1.9[H2O]7.3K0.1O20Si6.1
  • Published Formula: (Ba1.82Sr0.01K0.11Na0.03)(Al3.90Si6.13)O20·7.30H2O
  • Refined Formula: Al3.94Ba1.68H13.28K0.10O26.64Si6.06
  • Wyckoff Sequence: 113,f3e3cb
  • Z Formula Units: 1
  • Density: ρ = 2.94 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_1121485

  • 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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