Inorganic Solid Phases

Li5.8H2.2[P12N18O6]I2 (H1.1Li2.9P6IN9O3) Crystal Structure

General Information

  • Phase Label(s): H1.1Li2.9P6IN9O3
  • 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; 110 (determination of cell parameters), automatic diffractometer; Siemens D5000 (determination of structural parameters), X-rays, Mo Kα; λ = 0.070926 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): phosphate, iodide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 21 variables; 110 reflections, RP = 0.0928; wRP = 0.1294
  • Sample Detail(s): sample prepared from LiI, SP[NH2]3, OP[NH2]3, from analysis P 35.3, N 26.5, Li 4.4, H 0.5, O 9.2, I 24.5 wt.%, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H1.1Li2.9P6IN9O3
  • Alphabetic Formula: H1.1ILi2.9N9O3P6
  • Published Formula: Li5.8H2.2[P12N18O6]I2
  • Refined Formula: ILi2.92N9O3P6
  • Wyckoff Sequence: 217,gdca
  • Z Formula Units: 2
  • Density: ρ = 2.94 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_1200102

  • 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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