Inorganic Solid Phases

Li13K[SiNb12(OH)2O38]·17H2O (KLi13Nb12[SiO4]O34[OH]2[H2O]17, T = 100(2) K) Crystal Structure

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General Information

  • Phase Label(s): KLi13Nb12[SiO4]O34[OH]2[H2O]17
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mP300
  • Space Group: 14
  • Phase Prototype: KLi13Nb12[SiO4]O34[OH]2[H2O]17
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, ChemMatCARS (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell parameters), X-rays, synchrotron; λ = 0.049594 nm (determination of structural parameters), T = 100(2) K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, block-diagonal least-squares refinement on F2; 366 variables; 4068 reflections; I > 2σ(I), R = 0.0649; wR = 0.1632
  • Sample Detail(s): sample prepared from Li7K[Nb6O19][H2O]15, Si(OC2H5)4, H2O, chemical analysis; 1.8 wt.% K, 4.2 wt.% Li, 49.5 wt.% Nb, 13.7 wt.% H2O, 1.5 wt.% Si, twinned crystal (determination of cell parameters), single crystal, 0.015×0.02×0.02 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KLi13Nb12[SiO4]O34[OH]2[H2O]17
  • Alphabetic Formula: [H2O]17KLi13Nb12O34[OH]2[SiO4]
  • Published Formula: Li13K[SiNb12(OH)2O38]·17H2O
  • Refined Formula: KLi8Nb12O52.50Si
  • Wyckoff Sequence: 14,e75
  • Z Formula Units: 4
  • Density: ρ = 3.27 Mg·m−3
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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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1714605

  • 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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