Inorganic Solid Phases

Cs1.547Al1.548Si6.452O16, Cs-hexacelsian (Cs0.774Al0.774Si3.226O8, T = 463 K, p = 4.3 GPa) Crystal Structure

General Information

  • Phase Label(s): Cs0.774Al0.774Si3.226O8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP26
  • Space Group: 193
  • Phase Prototype: Ca(Al0.5Si0.5)4O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source NSLS, X14A (determination of structural parameters), X-rays, synchrotron; λ = 0.07745 nm (determination of cell and structural parameters), T = 463 K (determination of cell and structural parameters), p = 4.3 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.0717
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs0.774Al0.774Si3.226O8
  • Alphabetic Formula: Al0.774Cs0.774O8Si3.226
  • Published Formula: Cs1.547Al1.548Si6.452O16, Cs-hexacelsian
  • Refined Formula: Al0.77Cs0.77O8Si3.23
  • Wyckoff Sequence: 193,khcb
  • Z Formula Units: 2
  • Density: ρ = 3.02 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_1239235

  • 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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