Inorganic Solid Phases

LiK10Zr6F35·2H2O (K10LiZr6F35[H2O]2, T = 173(2) K) Crystal Structure

General Information

  • Phase Label(s): K10LiZr6F35[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP108
  • Space Group: 4
  • Phase Prototype: K10LiZr6F35[H2O]2
  • Measurement Detail(s): automatic diffractometer; 9843 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride, hydrate
  • Interpretation Detail(s): complete structure determined; absolute structure determined, full-matrix least-squares refinement on F2; 489 variables; 10464 reflections; I > 2σ(I), R = 0.0261; wR = 0.0632
  • Sample Detail(s): sample prepared from ZrO2, HF, LiNO3[H2O]3, KF[H2O]2, chemical analysis, thermogravimetry; 23.68 wt.% K, 0.44 wt.% Li, 33.34 wt.% Zr, 40.58 wt.% F; 2.20 wt.% H2O, twinned crystal (determination of cell parameters), twinned crystal, 0.075×0.19×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K10LiZr6F35[H2O]2
  • Alphabetic Formula: F35[H2O]2K10LiZr6
  • Published Formula: LiK10Zr6F35·2H2O
  • Refined Formula: F35H4K10LiO2Zr6
  • Wyckoff Sequence: 4,a54
  • Z Formula Units: 2
  • Density: ρ = 3.30 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]

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_1127409

  • 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