Inorganic Solid Phases

K-Ca2Nb3O10·H2O; K0.876Ca2Nb3O10·1.6H2O (KCa2Nb3O10[H2O]1.6) Crystal Structure

General Information

  • Phase Label(s): KCa2Nb3O10[H2O]1.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP38
  • Space Group: 127
  • Phase Prototype: KCa2Nb3O10[H2O]1.6
  • Measurement Detail(s): automatic diffractometer; Rigaku RINT-2000 (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-profile refinement, RP = 0.087; wRP = 0.115
  • Sample Detail(s): sample prepared from HCa2Nb3O10[H2O]1.5, tetrabutylammonium hydroxide, KCl, inductive coupled plasma method, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: KCa2Nb3O10[H2O]1.6
  • Alphabetic Formula: Ca2[H2O]1.6KNb3O10
  • Published Formula: K-Ca2Nb3O10·H2O; K0.876Ca2Nb3O10·1.6H2O
  • Refined Formula: Ca2H3.28K0.88Nb3O11.64
  • Wyckoff Sequence: 127,kgf2e3cba
  • Z Formula Units: 2
  • Density: ρ = 3.88 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_1603572

  • 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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