Inorganic Solid Phases

K1.26H0.74TiSi3O9·1.8H2O (H0.74K1.26TiSi3O9[H2O]1.8) Crystal Structure

General Information

  • Phase Label(s): H0.74K1.26TiSi3O9[H2O]1.8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP64
  • Space Group: 14
  • Phase Prototype: H0.74K1.26TiSi3O9[H2O]1.8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Seifert-Scintag PAD-V (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 458 reflections, RP = 0.109; wRP = 0.148; RB = 0.042
  • Sample Detail(s): sample prepared from TiCl4, H2O2, NaOH, SiO2, KOH, electron microprobe analysis; 13.5 wt.% K, 50 wt.% O, 23.2 wt.% Si, 13.3 wt.% Ti, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.74K1.26TiSi3O9[H2O]1.8
  • Alphabetic Formula: H0.74[H2O]1.8K1.26O9Si3Ti
  • Published Formula: K1.26H0.74TiSi3O9·1.8H2O
  • Refined Formula: H3.60K1.20O10.80Si3Ti
  • Wyckoff Sequence: 14,e16
  • Z Formula Units: 4
  • Density: ρ = 2.54 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_1413968

  • 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

    Citation copied