Inorganic Solid Phases

ice III, high-pressure form ([H2O] hp III, T = 83 K) Crystal Structure

General Information

  • Phase Label(s): [H2O] hp III
  • Structure Class(es):
  • Classification by Properties: antiferroelectric AFE, nonmetal
  • Mineral Name(s): ice III
  • Pearson Symbol: tP60
  • Space Group: 92
  • Phase Prototype: [H2O]
  • Measurement Detail(s): precession and rotation photographs (determination of cell and structural parameters), X-rays (determination of cell and structural parameters), T = 83 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.26
  • Sample Detail(s): single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: [H2O]
  • Alphabetic Formula: [H2O]
  • Published Formula: ice III, high-pressure form
  • Refined Formula: H2O
  • Wyckoff Sequence: 92,ba
  • Z Formula Units: 12
  • Density: ρ = 1.14 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1636970

  • 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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