Inorganic Solid Phases

Cs[NpO2Cl2(H2O)] (Cs[NpO2]Cl2[H2O]) Crystal Structure

General Information

  • Phase Label(s): Cs[NpO2]Cl2[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP28
  • Space Group: 14
  • Phase Prototype: Cs[NpO2]Cl2[H2O]
  • Measurement Detail(s): film (determination of cell parameters), oscillation photographs; KFOR-4 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, block-diagonal least-squares refinement; 2055 reflections; I > 0σ(I), R = 0.139
  • Sample Detail(s): sample prepared from Cs3[NpO2]Cl4, C2H5OH (ethanol), HCl, powder (determination of cell parameters), single crystal, 0.2×0.3×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs[NpO2]Cl2[H2O]
  • Alphabetic Formula: Cl2Cs[H2O][NpO2]
  • Published Formula: Cs[NpO2Cl2(H2O)]
  • Refined Formula: Cl2CsH2NpO3
  • Wyckoff Sequence: 14,e7
  • Z Formula Units: 4
  • Density: ρ = 4.55 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Powder Pattern

published defraction line
d [nm]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1602637

  • 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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