Inorganic Solid Phases

LiK14Na9[P8W48O184Cu20(N3)6(OH)18]·60H2O (K14Na9LiCu20W48P8[N3]6O184[OH]18[H2O]60) Crystal Structure

General Information

  • Phase Label(s): K14Na9LiCu20W48P8[N3]6O184[OH]18[H2O]60
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI818
  • Space Group: 87
  • Phase Prototype: K14Na9LiCu20W48P8[N3]6O184[OH]18[H2O]60
  • Measurement Detail(s): automatic diffractometer; 8577 (determination of cell parameters), automatic diffractometer; Bruker-Nonius X8 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): azide, hydroxide, phosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 475 variables; I > 2σ(I), R = 0.0413; wR = 0.1191
  • Sample Detail(s): sample prepared from K28Li5[H7P8W48O184][H2O]92, Cu(CH3COO)2, NaN3, chemical analysis; 56.16 wt.% W, 7.15 wt.% Cu, 3.47 wt.% K, 1.54 wt.% P, 0.82 wt.% H, 1.62 wt.% N, 1.26 wt.% Na, single crystal (determination of cell parameters), single crystal, 0.18×0.20×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K14Na9LiCu20W48P8[N3]6O184[OH]18[H2O]60
  • Alphabetic Formula: Cu20[H2O]60K14Li[N3]6Na9O184[OH]18P8W48
  • Published Formula: LiK14Na9[P8W48O184Cu20(N3)6(OH)18]·60H2O
  • Refined Formula: Cu20H90.50K12N18Na8O237.25P8W48
  • Wyckoff Sequence: 87,i42h17e2a
  • Z Formula Units: 2
  • Density: ρ = 3.56 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]

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_1923166

  • 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