Inorganic Solid Phases

Ca2(Mg1.7Fe0.3)(Mg1.2Al0.5V0.3Ti3+0.8Ti4+1.2)(Si2Al2)Al2O20 (Ca2Mg2.9Ti2V0.3Fe0.3Al4.5Si2O20) Crystal Structure

General Information

  • Phase Label(s): Ca2Mg2.9Ti2V0.3Fe0.3Al4.5Si2O20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rhönite
  • Pearson Symbol: aP68
  • Space Group: 2
  • Phase Prototype: CaMg3Si3O10
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, 2037 reflections; I > 3σ(I), R = 0.066; wR = 0.056
  • Sample Detail(s): rhonite sample from meteorite Allende, chemical analysis; 17.0 wt.% SiO2, 21.9 wt.% TiO2, 27.7 wt.% Al2O3, 1.0 wt.% V2O3, 0.5 wt.% FeO, 17.1 wt.% MgO, 14.1 wt.% CaO et al., twinned crystal (determination of cell parameters), twinned crystal, 0.1×0.1×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg1.45TiV0.15Fe0.15Al2.25SiO10
  • Alphabetic Formula: Al2.25CaFe0.15Mg1.45O10SiTiV0.15
  • Published Formula: Ca2(Mg1.7Fe0.3)(Mg1.2Al0.5V0.3Ti3+0.8Ti4+1.2)(Si2Al2)Al2O20
  • Refined Formula: Al4Ca2Mg4O20Si2Ti2
  • Wyckoff Sequence: 2,i33gd
  • Z Formula Units: 4
  • Density: ρ = 3.49 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_1617970

  • 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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