Inorganic Solid Phases

Cs2Ni(NH2)4·(NH3) (Cs2Ni[NH2]4[NH3]) Crystal Structure

General Information

  • Phase Label(s): Cs2Ni[NH2]4[NH3]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP32
  • Space Group: 14
  • Phase Prototype: Cs2Ni[NH2]4[NH3]
  • Measurement Detail(s): Straumanis film (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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): amide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 73 variables; 1488 reflections; F > 3σ(F), R = 0.045; wR = 0.052
  • Sample Detail(s): powder (determination of cell parameters), single crystal, 0.35×0.4×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs2Ni[NH2]4[NH3]
  • Alphabetic Formula: Cs2[NH2]4[NH3]Ni
  • Published Formula: Cs2Ni(NH2)4·(NH3)
  • Refined Formula: Cs2H11N5Ni
  • Wyckoff Sequence: 14,e8
  • Z Formula Units: 4
  • Density: ρ = 2.96 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
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
sin2(θ) [1]
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_0542760

  • 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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