Inorganic Solid Phases

Cs2−x(NH4)xNi(SO4)2·6H2O, x= 0.15 (Cs1.85[NH4]0.15Ni[SO4]2[H2O]6) Crystal Structure

General Information

  • Phase Label(s): Cs1.85[NH4]0.15Ni[SO4]2[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP38
  • Space Group: 14
  • Phase Prototype: [NH4]2Mg[SO4]2[H2O]6-b
  • Measurement Detail(s): automatic diffractometer; 17046 (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement on F2; 115 variables; 3390 reflections; F > 4σ(F), R = 0.0257
  • Sample Detail(s): sample prepared from Cs2Ni[SO4]2[H2O]6, NH4+, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs1.85[NH4]0.15Ni[SO4]2[H2O]6
  • Alphabetic Formula: [H2O]6[NH4]0.15Cs1.85[SO4]2Ni
  • Published Formula: Cs2−x(NH4)xNi(SO4)2·6H2O, x= 0.15
  • Refined Formula: Cs1.72H13.10N0.28NiO14S2
  • Wyckoff Sequence: 14,e9b
  • Z Formula Units: 2
  • Density: ρ = 2.82 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1946069

  • 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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