Inorganic Solid Phases

(H3O)10Li18K22[(UO2)30(O2)30(P2O7)10(C2O4)5](H2O)22 (K22Li18[H3O]10[UO2]30[P2O7]10[C2O4]5[O2]30[H2O]22, T = 110(2) K) Crystal Structure

General Information

  • Phase Label(s): K22Li18[H3O]10[UO2]30[P2O7]10[C2O4]5[O2]30[H2O]22
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP578
  • Space Group: 2
  • Phase Prototype: K22Li18[H3O]10[UO2]30[P2O7]10[C2O4]5[O2]30[H2O]22
  • Measurement Detail(s): automatic diffractometer; 37047 (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): oxalate, peroxide, diphosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1497 variables; 23009 reflections; F2 > 2σ(F2), R = 0.0539; wR = 0.1245
  • Sample Detail(s): sample prepared from UO2[NO3]2[H2O]6, H2O2, LiOH, H2C2O4, K4P2O7, inductive coupled plasma method; U/P/K/Li ratio 30/19/22/18, single crystal (determination of cell parameters), single crystal, 0.022×0.058×0.066 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K22Li18[H3O]10[UO2]30[P2O7]10[C2O4]5[O2]30[H2O]22
  • Alphabetic Formula: [C2O4]5[H2O]22[H3O]10K22Li18[O2]30[P2O7]10[UO2]30
  • Published Formula: (H3O)10Li18K22[(UO2)30(O2)30(P2O7)10(C2O4)5](H2O)22
  • Refined Formula: C10K18O211P20U30
  • Wyckoff Sequence: 2,i289
  • Z Formula Units: 2
  • Density: ρ = 2.92 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_1021561

  • 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

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