Inorganic Solid Phases

Elba dachiardite (Cs0.03K0.23Na0.11Ba0.01Sr0.03Ca0.39Al1..23Si4.77O12[H2O]3.14) Crystal Structure

General Information

  • Phase Label(s): Cs0.03K0.23Na0.11Ba0.01Sr0.03Ca0.39Al1..23Si4.77O12[H2O]3.14
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): dachiardite-Ca
  • Pearson Symbol: mS144
  • Space Group: 12
  • Phase Prototype: (Cs0.03K0.23Na0.11)(Ba0.01Sr0.03Ca0.39)(Al0.20Si0.80)6O12[H2O]3.14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1229 reflections; I > 3σ(I), R = 0.0699; wR = 0.0637
  • Sample Detail(s): dachiardite sample from Italy, Elba Island, electron microprobe analysis; Cs0.11K0.92Na0.42Ba0.01Sr0.12Ca1.54Fe0.02Al4.86Si18.96O48[H2O]12.56, single crystal (determination of cell parameters), single crystal, 0.1×0.2×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.03K0.23Na0.11Ba0.01Sr0.03Ca0.39Al1.23Si4.77O12[H2O]3.14
  • Alphabetic Formula: Al1.23Ba0.01Ca0.39Cs0.03[H2O]3.14K0.23Na0.11O12Si4.77Sr0.03
  • Published Formula: Elba dachiardite
  • Refined Formula: Al1.22Ba0Ca0.39Cs0.03H6K0.23O15Si4.78Sr0.03
  • Wyckoff Sequence: 12,j13i10
  • Z Formula Units: 4
  • Density: ρ = 2.19 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_1409324

  • 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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