Inorganic Solid Phases

K1.54Mg0.77Ti7.23O16 (T = 540 K) Crystal Structure

General Information

  • Phase Label(s): K1.54Mg0.77Ti7.23O16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI26
  • Space Group: 87
  • Phase Prototype: K0.5Mn4O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays (determination of cell and structural parameters), T = 540 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; order - disorder studied; temperature dependence studied, full-matrix least-squares refinement; 528 reflections; F > 3σ(F), R = 0.028; wR = 0.016
  • Sample Detail(s): hollandite sample from synthetic, electron microprobe analysis; K1.56Mg0.769Ti7.22O16, single crystal (determination of cell parameters), single crystal, 0.0051 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.77Mg0.39Ti3.62O8
  • Alphabetic Formula: K0.77Mg0.39O8Ti3.62
  • Published Formula: K1.54Mg0.77Ti7.23O16
  • Refined Formula: K0.82Mg0.38O8Ti3.62
  • Wyckoff Sequence: 87,h3a
  • Z Formula Units: 2
  • Density: ρ = 3.67 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812317

  • 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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