Inorganic Solid Phases

CaAl8.00Ti2.00Mg2.00O19 (CaMg0.97Ti1.18Al9.85O19) Crystal Structure

General Information

  • Phase Label(s): CaMg0.97Ti1.18Al9.85O19
  • Structure Class(es): magnetoplumbite family
  • Classification by Properties:
  • Mineral Name(s): hibonite
  • Pearson Symbol: hP66
  • Space Group: 194
  • Phase Prototype: BaFe12O19
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Agilent Technologies Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 44 variables; 615 reflections, R = 0.0414; wR = 0.0988
  • Sample Detail(s): hibonite sample from synthetic, sample prepared from Al[NO3]3[H2O]9, Mg[NO3]2[H2O]6, Ca(CH3COO)2[H2O], citric acid, Ti[OCH(CH3)2]4, ethylene glycol, electron microprobe analysis; Ca1.00(2)Al10.14(2)Mg0.90(2)Ti0.94(2)O19, twinned crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaMg0.93Ti0.93Al10.14O19
  • Alphabetic Formula: Al10.14CaMg0.93O19Ti0.93
  • Published Formula: CaAl8.00Ti2.00Mg2.00O19
  • Refined Formula: Al11.23CaO19Ti0.77
  • Wyckoff Sequence: 194,k3hf3e2da
  • Z Formula Units: 2
  • Density: ρ = 3.79 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]

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_1235215

  • 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

    Citation copied