Inorganic Solid Phases

CaAl12O19; (Ca0.99Na0.01)(Al10.74Ti0.52Mg0.51Zn0.11Si0.08Fe2+0.04)O18.97 (CaMg0.51Zn0.1Ti0.52Fe0.04Al10.74Si0.1O19, T = 473 K) Crystal Structure

General Information

  • Phase Label(s): CaMg0.51Zn0.1Ti0.52Fe0.04Al10.74Si0.1O19
  • 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; Bruker AXS D8 SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 473 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement on F2; 43 variables; 538 reflections, R = 0.0208; wR = 0.0655
  • Sample Detail(s): hibonite sample from Myanmar (Burma), Mogok, electron microprobe analysis; (Ca0.99Na0.01)(Al10.74Ti0.52Mg0.51Zn0.11Si0.08Fe2+0.04)O18.97, single crystal (determination of cell parameters), single crystal, 0.025×0.07×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg0.51Zn0.1Ti0.52Fe0.04Al10.74Si0.1O19
  • Alphabetic Formula: Al10.74CaFe0.04Mg0.51O19Si0.1Ti0.52Zn0.1
  • Published Formula: CaAl12O19; (Ca0.99Na0.01)(Al10.74Ti0.52Mg0.51Zn0.11Si0.08Fe2+0.04)O18.97
  • Refined Formula: Al10.79CaMg0.50O19Ti0.62Zn0.09
  • 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_1225256

  • 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