Inorganic Solid Phases

(K,Na)44[(UO2)68(O2)74(OH)16(NO3)16(H2O)16](H2O)n (K42Na2[UO2]68[NO3]16[O2]74[OH]16[H2O]171, T = 100(2) K) Crystal Structure

General Information

  • Phase Label(s): K42Na2[UO2]68[NO3]16[O2]74[OH]16[H2O]171
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI1010
  • Space Group: 121
  • Phase Prototype: K42Na2[UO2]68[NO3]16[O2]74[OH]16[H2O]171
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitrate, hydroxide, peroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 344 variables, R = 0.0769; wR = 0.2511
  • Sample Detail(s): sample prepared from UO2[NO3]2[H2O]6, H2O2, (C2H5)4NOH, malonic acid, NaCl, KCl, inductive coupled plasma method, thermogravimetry; (K,Na)44([UO2]68[O2]74[OH]16[NO3]16[H2O]16)[H2O]n, n≈ 155, 2Na+ per formula unit, single crystal (determination of cell parameters), single crystal, 0.075×0.125×0.175 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K42Na2[UO2]68[NO3]16[O2]74[OH]16[H2O]171
  • Alphabetic Formula: [H2O]171K42[NO3]16Na2[OH]16[O2]74[UO2]68
  • Published Formula: (K,Na)44[(UO2)68(O2)74(OH)16(NO3)16(H2O)16](H2O)n
  • Refined Formula: H160K56N16O364U68.50
  • Wyckoff Sequence: 121,j54i17fa
  • Z Formula Units: 2
  • Density: ρ = 2.48 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_1935296

  • 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