Inorganic Solid Phases

Zn7−xH2x[P12N24]Cl2, x= 0.91(9) (H2.2Zn2.4P6N12Cl) Crystal Structure

General Information

  • Phase Label(s): H2.2Zn2.4P6N12Cl
  • 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 (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154056 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, nitride
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, Rietveld refinement; 25 variables; 57 reflections, wRP = 0.077; RB = 0.084
  • Sample Detail(s): sample prepared from P3N5, NH4Cl, ZnCl2, chemical analysis, energy-dispersive X-ray analysis; Cl, P and Cl content analyzed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.9Zn3.05P6N12Cl
  • Alphabetic Formula: ClH0.9N12P6Zn3.05
  • Published Formula: Zn7−xH2x[P12N24]Cl2, x= 0.91(9)
  • Refined Formula: ClN12P6Zn3.04
  • Wyckoff Sequence: 217,gdca
  • Z Formula Units: 2
  • Density: ρ = 3.51 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_1707895

  • 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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