Inorganic Solid Phases

HKCa2Si8O19·5H2O (HKCa2Si8O19[H2O]5) Crystal Structure

General Information

  • Phase Label(s): HKCa2Si8O19[H2O]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rhodesite
  • Pearson Symbol: oP72
  • Space Group: 51
  • Phase Prototype: HKCa2Si8O19[H2O]5
  • Measurement Detail(s): automatic diffractometer; 22 (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): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 536 reflections; I > 1σ(I), R = 0.044; wR = 0.045
  • Sample Detail(s): rhodesite sample from Italy, Umbria, Terni, San Venanzo quarry, electron microprobe analysis; 66.27 wt.% SiO2, 15.21 wt.% CaO, 2.23 wt.% K2O, 0.33 wt.% Na2O, 15.96 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.016×0.032×0.330 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HKCa2Si8O19[H2O]5
  • Alphabetic Formula: Ca2H[H2O]5KO19Si8
  • Published Formula: HKCa2Si8O19·5H2O
  • Refined Formula: Ca2H12.44KO25.22Si8
  • Wyckoff Sequence: 51,l4kj3i4fe2ba
  • Z Formula Units: 2
  • Density: ρ = 2.26 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_1409522

  • 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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