Inorganic Solid Phases

H3.64Cs0.36(TiO)3.86(GeO)0.14(SiO4)2.19(GeO4)0.81·7.2H2O (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 = 0.0937; wRP = 0.1184
  • 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: H3.64Cs0.36Ti3.86Ge0.14[GeO4]0.81[SiO4]2.19O4[H2O]7.2
  • Alphabetic Formula: Cs0.36Ge0.14[GeO4]0.81H3.64[H2O]7.2O4[SiO4]2.19Ti3.86
  • Published Formula: H3.64Cs0.36(TiO)3.86(GeO)0.14(SiO4)2.19(GeO4)0.81·7.2H2O
  • Refined Formula: Cs0.36Ge0.94H14.40O23.20Si2.22Ti3.84
  • Wyckoff Sequence: 215,ife3ca
  • Z Formula Units: 1
  • Density: ρ = 2.56 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_1120696

  • 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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