Inorganic Solid Phases

Ni(CH5N3S)2SO4·3H2O (Ni[SO4][CSN3H5]2[H2O]3) Crystal Structure

General Information

  • Phase Label(s): Ni[SO4][CSN3H5]2[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP38
  • Space Group: 11
  • Phase Prototype: Ni[SO4][CSN3H5]2[H2O]3
  • Measurement Detail(s): Guinier-de Wolff film (determination of cell parameters), precession and Weissenberg photographs (determination of structural parameters), X-rays, Cr Kα (determination of cell parameters), X-rays, Cu Kα, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement
  • Sample Detail(s): sample prepared from NiSO4, thiosemicarbazide, chemical analysis; 15.35 wt.% Ni, powder (determination of cell parameters), single crystal, 0.15×0.15×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ni[SO4][CSN3H5]2[H2O]3
  • Alphabetic Formula: [CSN3H5]2[H2O]3Ni[SO4]
  • Published Formula: Ni(CH5N3S)2SO4·3H2O
  • Refined Formula: C2H16N6NiO7S3
  • Wyckoff Sequence: 11,f7e4c
  • Z Formula Units: 2
  • Density: ρ = 1.81 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1827435

  • 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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