Inorganic Solid Phases

Cu36Cl7.86(SO4)0.67(NO3)0.5(OH)62.3·5.6H2O (Cu18.3[SO4]0.8[NO3]0.2Cl4[OH]31[H2O]4) Crystal Structure

General Information

  • Phase Label(s): Cu18.3[SO4]0.8[NO3]0.2Cl4[OH]31[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): connellite
  • Pearson Symbol: hP154
  • Space Group: 190
  • Phase Prototype: Cu18.4[SO4]0.8[NO3]0.2Cl4[OH]31[H2O]4
  • 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), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitrate, hydroxide, sulfate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 63 variables; 522 reflections, R = 0.0478; wR = 0.1525
  • Sample Detail(s): connellite sample from U.S.A. Arizona, Cochise County, Bisbee, Shattuck mine, single crystal (determination of cell parameters), single crystal, 0.2×0.3×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu18[SO4]0.33[NO3]0.25Cl3.93[OH]31.15[H2O]2.8
  • Alphabetic Formula: Cl3.93Cu18[H2O]2.8[NO3]0.25[OH]31.15[SO4]0.33
  • Published Formula: Cu36Cl7.86(SO4)0.67(NO3)0.5(OH)62.3·5.6H2O
  • Refined Formula: Cl3.92Cu18H33.96N0.25O35.58S0.34
  • Wyckoff Sequence: 194,l2kjih6gf2ca
  • Z Formula Units: 2
  • Density: ρ = 3.23 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1218468

  • 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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