Inorganic Solid Phases

Ca(Fe0.19Zn0.81)Si2O6 (CaZn0.5Fe0.5Si2O6) Crystal Structure

General Information

  • Phase Label(s): CaZn0.5Fe0.5Si2O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS40
  • Space Group: 15
  • Phase Prototype: CaMgSi2O6
  • Measurement Detail(s): automatic diffractometer; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.070932 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 50 variables; 1299 reflections; I > 2σ(I), R = 0.025; wR = 0.061
  • Sample Detail(s): sample prepared from CaO, ZnO, SiO2, Fe oxide, electron microprobe analysis; Ca1.00Fe0.21Zn0.85Si1.97O6, single crystal, 0.16×0.19×0.290 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaZn0.81Fe0.19Si2O6
  • Alphabetic Formula: CaFe0.19O6Si2Zn0.81
  • Published Formula: Ca(Fe0.19Zn0.81)Si2O6
  • Refined Formula: CaFe0.19O6Si2Zn0.81
  • Wyckoff Sequence: 15,f4e2
  • Z Formula Units: 4
  • Density: ρ = 3.81 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

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_1904866

  • 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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