Inorganic Solid Phases

Cs0.85B1.32Si1.68O5.77 (Cs8Si16B8O48) Crystal Structure

General Information

  • Phase Label(s): Cs8Si16B8O48
  • Structure Class(es): zeolite ANA
  • Classification by Properties:
  • Mineral Name(s): kirchhoffite
  • Pearson Symbol: tI160
  • Space Group: 142
  • Phase Prototype: Cs8Al8Si16O48
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D5000 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borate, silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.0914; RB = 0.0334
  • Sample Detail(s): sample prepared from Cs2CO3, H3BO3, SiO2[H2O]x (silicic acid), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs6.8Si13.44B5.28O46.16
  • Alphabetic Formula: B5.28Cs6.8O46.16Si13.44
  • Published Formula: Cs0.85B1.32Si1.68O5.77
  • Refined Formula: B1.38Cs0.86O5.76Si1.62
  • Wyckoff Sequence: 230,hgb
  • Z Formula Units: 2
  • Density: ρ = 3.22 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_1219499

  • 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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