Inorganic Solid Phases

Cu4.8H3.2[P12N18O6]Cl2 (H1.6Cu2.4P6N9ClO3) Crystal Structure

General Information

  • Phase Label(s): H1.6Cu2.4P6N9ClO3
  • Structure Class(es): zeolite SOD
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI46
  • Space Group: 217
  • Phase Prototype: Na4(Al0.5Si0.5)6IO12
  • Measurement Detail(s): automatic diffractometer; 129 (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.12763 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): phosphate, chloride
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 39 variables; 129 reflections, RP = 0.0251; wRP = 0.0333
  • Sample Detail(s): sample prepared from CuCl, HPN2, OP[NH2]3, from analysis P 31.5, N 23.2, Cu 25.7 wt.%, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H1.6Cu2.4P6N9ClO3
  • Alphabetic Formula: ClCu2.4H1.6N9O3P6
  • Published Formula: Cu4.8H3.2[P12N18O6]Cl2
  • Refined Formula: ClCu2.29N9.24O2.76P6
  • Wyckoff Sequence: 217,gdca
  • Z Formula Units: 2
  • Density: ρ = 3.31 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_1200098

  • 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