Inorganic Solid Phases

trans-[Cr(NH3)4(H2O)Cl]Cl2 (CrCl3[NH3]4[H2O] mon) Crystal Structure

General Information

  • Phase Label(s): CrCl3[NH3]4[H2O] mon
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP18
  • Space Group: 11
  • Phase Prototype: CrCl3[NH3]4[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1209 reflections; I > 2.5σ(I), R = 0.023; wR = 0.028
  • Sample Detail(s): sample prepared from trans-Cr[NH3]4[H2O]ClCl2, chemical analysis; Cl and Cr content confirmed, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CrCl3[NH3]4[H2O]
  • Alphabetic Formula: Cl3Cr[H2O][NH3]4
  • Published Formula: trans-[Cr(NH3)4(H2O)Cl]Cl2
  • Refined Formula: Cl3CrH14N4O
  • Wyckoff Sequence: 11,f2e5
  • Z Formula Units: 2
  • Density: ρ = 1.74 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]

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_1706452

  • 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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