Inorganic Solid Phases

Ca0.79Fe10.17Cd0.88O16.85·1.51H2O, β'' ferrite (Ca0.79Cd0.88Fe10.17O16.85[H2O]1.51) Crystal Structure

General Information

  • Phase Label(s): Ca0.79Cd0.88Fe10.17O16.85[H2O]1.51
  • Structure Class(es): β"-alumina
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR99
  • Space Group: 166
  • Phase Prototype: Sr0.83Mg0.67Al10.33O17
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1710 (determination of structural parameters), X-rays, Co Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, multiphase, RP = 0.0518; wRP = 0.0675; RB = 0.1373
  • Sample Detail(s): electron microprobe analysis; amounts of β-phase (19.5 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.79Cd0.88Fe10.17O16.85[H2O]1.51
  • Alphabetic Formula: Ca0.79Cd0.88Fe10.17[H2O]1.51O16.85
  • Published Formula: Ca0.79Fe10.17Cd0.88O16.85·1.51H2O, β'' ferrite
  • Refined Formula: Ca0.80Cd0.88Fe10.12H3O18.36
  • Wyckoff Sequence: 166,h3ec5ba
  • Z Formula Units: 3
  • Density: ρ = 4.51 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1211584

  • 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)

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