Inorganic Solid Phases

Ca2ZnSi2O7 (Ca2Zn[Si2O7]) Crystal Structure

General Information

  • Phase Label(s): Ca2Zn[Si2O7]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hardystonite
  • Pearson Symbol: tP24
  • Space Group: 113
  • Phase Prototype: Ca2Mg[Si2O7]
  • Measurement Detail(s): automatic diffractometer; 32 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.053
  • Sample Detail(s): hardystonite sample from, electron microprobe analysis; (Ca1.97Mn0.03Na0.02Pb0.007)[Zn1.00Al0.03Mg0.03Fe0.005Si1.96]O7; 36.80 wt.% SiO2, 0.94 wt.% Al2O3, 0.20 wt.% Fe2O3, 25.56 wt.% ZnO, 0.76 wt.% MnO, 34.61 wt.% CaO, 0.39 wt.% MgO, 0.29 wt.% Na2O, 0.56 wt.% PbO, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2Zn[Si2O7]
  • Alphabetic Formula: Ca2[Si2O7]Zn
  • Published Formula: Ca2ZnSi2O7
  • Refined Formula: Ca2O7Si2Zn
  • Wyckoff Sequence: 113,fe3ca
  • Z Formula Units: 2
  • Density: ρ = 3.39 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1415660

  • 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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