Inorganic Solid Phases

Cs2[Pt(NO2)(NH3)Br2][Pt(NO2)(NH3)Br4] (CsPtBr3[NO2][NH3]) Crystal Structure

General Information

  • Phase Label(s): CsPtBr3[NO2][NH3]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP40
  • Space Group: 62
  • Phase Prototype: CsPtBr3[NO2][NH3]
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitrite, bromide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 55 variables; 839 reflections; F > 3σ(F), R = 0.0357; wR = 0.0457
  • Sample Detail(s): sample prepared from hydrohalic acid, cis-Pt[NH3]2[NO2]2, CsBr, chemical analysis; 4.43 wt.% N, 0.64 wt.% H, 38.5 wt.% Br, single crystal (determination of cell parameters), single crystal, 0.05×0.08×0.55 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CsPtBr3[NO2][NH3]
  • Alphabetic Formula: Br3Cs[NH3][NO2]Pt
  • Published Formula: Cs2[Pt(NO2)(NH3)Br2][Pt(NO2)(NH3)Br4]
  • Refined Formula: Br3CsH3N2O2Pt
  • Wyckoff Sequence: 62,d2c6
  • Z Formula Units: 4
  • Density: ρ = 4.50 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

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_1904004

  • 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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