Inorganic Solid Phases

Li24K36[(UO2)38(O2)40(OH)8(P2O7)10(NO3)4](NO3)4(H2O)x (K36Li24[UO2]38[P2O7]10[NO3]8[O2]40[OH]8[H2O]22, T = 110(2) K) Crystal Structure

General Information

  • Phase Label(s): K36Li24[UO2]38[P2O7]10[NO3]8[O2]40[OH]8[H2O]22
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS1436
  • Space Group: 15
  • Phase Prototype: K36Li24[UO2]38[P2O7]10[NO3]8[O2]40[OH]8[H2O]22
  • Measurement Detail(s): automatic diffractometer; 20343 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 110(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitrate, hydroxide, peroxide, diphosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 949 variables; 13930 reflections; F2 > 2σ(F2), R = 0.0540; wR = 0.1319
  • Sample Detail(s): sample prepared from U24Py12 uranyl pyrophosphate cluster, U20Py6a uranyl pyrophosphate cluster, inductive coupled plasma method; U/P/K/Li ratio 38/21/26/32, single crystal (determination of cell parameters), single crystal, 0.044×0.050×0.058 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K36Li24[UO2]38[P2O7]10[NO3]8[O2]40[OH]8[H2O]22
  • Alphabetic Formula: [H2O]22K36Li24[NO3]8[OH]8[O2]40[P2O7]10[UO2]38
  • Published Formula: Li24K36[(UO2)38(O2)40(OH)8(P2O7)10(NO3)4](NO3)4(H2O)x
  • Refined Formula: K34N8O259P20U38
  • Wyckoff Sequence: 15,f179e
  • Z Formula Units: 4
  • Density: ρ = 2.97 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_1021562

  • 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