Inorganic Solid Phases

H3.59Cs0.41(TiO)3.55(GeO)0.45(SiO4)0.79(GeO4)2.21·7H2O (HCs3Ti3.5Ge0.5[GeO4]2.5[SiO4]0.5O4[H2O]4) Crystal Structure

General Information

  • Phase Label(s): HCs3Ti3.5Ge0.5[GeO4]2.5[SiO4]0.5O4[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP33
  • Space Group: 215
  • Phase Prototype: HCs3Ti4[SiO4]3O4[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 SMART APEX (determination of structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthogermanate, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0966; wRP = 0.1293
  • Sample Detail(s): sample prepared from titanium isopropoxide (TIP), GeO2 (α-quartz), SiO2, CsOH, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H3.59Cs0.41Ti3.55Ge0.45[GeO4]2.21[SiO4]0.79O4[H2O]7
  • Alphabetic Formula: Cs0.41Ge0.45[GeO4]2.21H3.59[H2O]7O4[SiO4]0.79Ti3.55
  • Published Formula: H3.59Cs0.41(TiO)3.55(GeO)0.45(SiO4)0.79(GeO4)2.21·7H2O
  • Refined Formula: Cs0.42Ge2.66H14.20O23.10Si0.78Ti3.56
  • Wyckoff Sequence: 215,ife3ca
  • Z Formula Units: 1
  • Density: ρ = 2.70 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_1120698

  • 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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