Inorganic Solid Phases

Ca4Al15.14V5.15Mg1Fe0.026Ti0.3Mn0.024Si2.36O40 (Ca2Mg0.5Ti0.15V2.58Mn0.01Fe0.01Al7.57Si1.18O20) Crystal Structure

General Information

  • Phase Label(s): Ca2Mg0.5Ti0.15V2.58Mn0.01Fe0.01Al7.57Si1.18O20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP68
  • Space Group: 2
  • Phase Prototype: Na2TiFe5Si6O20
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 900 reflections; I > 2σ(I), R = 0.046
  • Sample Detail(s): chemical analysis; 49.67 wt.% Al2O3, 25.35 wt.% V2O3, 13.71 wt.% CaO, 2.26 wt.% MgO, 8.51 wt.% SiO2, 0.75 wt.% TiO2, 0.13 wt.% FeO, 0.11 wt.% MnO, twinned crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Mg0.5Ti0.15V2.58Mn0.01Fe0.01Al7.57Si1.18O20
  • Alphabetic Formula: Al7.57Ca2Fe0.01Mg0.5Mn0.01O20Si1.18Ti0.15V2.58
  • Published Formula: Ca4Al15.14V5.15Mg1Fe0.026Ti0.3Mn0.024Si2.36O40
  • Refined Formula: Al7.57Ca2Fe0.01Mg0.50Mn0.01O20Si1.18Ti0.15V2.58
  • Wyckoff Sequence: 2,i33gd
  • Z Formula Units: 2
  • Density: ρ = 3.64 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1014195

  • 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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