Inorganic Solid Phases

CsCo(NH3)0.7(ND3)5.3(ClO4)2Cl2, disordered (CsCo[ClO4]2Cl2[NH3]0.7[ND3]5.3, T = 260(1) K) Crystal Structure

General Information

  • Phase Label(s): CsCo[ClO4]2Cl2[NH3]0.7[ND3]5.3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR60
  • Space Group: 148
  • Phase Prototype: [NH4]Co[ClO4]2Cl2[NH3]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source, SCD (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 260(1) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): perchlorate, chloride
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, full-matrix least-squares refinement; 91 variables; 797 reflections, R = 0.0785; wR = 0.0910
  • Sample Detail(s): sample prepared from Co[NH3]6Cl3, CsClO4, twinned crystal (determination of cell parameters), twinned crystal, 1.0×4.5×4.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CsCo[ClO4]2Cl2[NH3]0.7[ND3]5.3
  • Alphabetic Formula: Cl2[ClO4]2CoCs[ND3]5.3[NH3]0.7
  • Published Formula: CsCo(NH3)0.7(ND3)5.3(ClO4)2Cl2, disordered
  • Refined Formula: Cl4CoCsD15.91H2.09N6O8
  • Wyckoff Sequence: 148,f2c3ba
  • Z Formula Units: 3
  • Density: ρ = 2.36 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]
2U12 [nm2]
2U13 [nm2]
2U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1503952

  • 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

    Citation copied