Inorganic Solid Phases

Cu5.85O8Cu1.75Cl0.71(NO3)0.29 (Cu7.6[NO3]0.31Cl0.68O8) Crystal Structure

General Information

  • Phase Label(s): Cu7.6[NO3]0.31Cl0.68O8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF204
  • Space Group: 225
  • Phase Prototype: Cu7.6[NO3]O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), KENS, HRP (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), neutrons, time-of-flight (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitrate, chloride, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, R = 0.0317; RP = 0.0319; wRP = 0.0409
  • Sample Detail(s): sample prepared from Cu[NO3]2[H2O]3, In[NO3]3[H2O]3, chemical analysis; 71.9 wt.% Cu, 4.56 wt.% Cl, 2.95 wt.% NO3; two-phase sample, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu7.6[NO3]0.29Cl0.71O8
  • Alphabetic Formula: Cl0.71Cu7.6[NO3]0.29O8
  • Published Formula: Cu5.85O8Cu1.75Cl0.71(NO3)0.29
  • Refined Formula: Cl0.71Cu7.62N0.29O8.86
  • Wyckoff Sequence: 225,jfe2da
  • Z Formula Units: 4
  • Density: ρ = 5.26 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_1903123

  • 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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