Inorganic Solid Phases

Ca2.73Mn2.16Fe0.44Ti14.28Tb1.71Al1.26Zr1.71O42 (Ca2.73Tb1.71Zr1.71Ti14.28Mn2.16Fe0.44Al1.26O42) Crystal Structure

General Information

  • Phase Label(s): Ca2.73Tb1.71Zr1.71Ti14.28Mn2.16Fe0.44Al1.26O42
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF284
  • Space Group: 216
  • Phase Prototype: Ca2.73Tb1.71Zr1.71Ti14.28Mn2.16Fe0.44Al1.26O42
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 598 reflections; F > 4σ(F), R = 0.0630; wR = 0.1902
  • Sample Detail(s): murataite sample from synthetic, sample prepared from oxides, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.03×0.08×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2.73Tb1.71Zr1.71Ti14.28Mn2.16Fe0.44Al1.26O42
  • Alphabetic Formula: Al1.26Ca2.73Fe0.44Mn2.16O42Tb1.71Ti14.28Zr1.71
  • Published Formula: Ca2.73Mn2.16Fe0.44Ti14.28Tb1.71Al1.26Zr1.71O42
  • Refined Formula: Al0.79Ca3.02Fe0.29Mn2.48O44Tb2.24Ti13.88Zr2.04
  • Wyckoff Sequence: 216,h3gfe5dca
  • Z Formula Units: 4
  • Density: ρ = 4.35 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_1635734

  • 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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