Inorganic Solid Phases

Ca2Al(Al,Si)2O7 (Ca2Al2SiO7) Crystal Structure

General Information

  • Phase Label(s): Ca2Al2SiO7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gehlenite
  • Pearson Symbol: tP24
  • Space Group: 113
  • Phase Prototype: Ca2Mg[Si2O7]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), 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): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 759 reflections, R = 0.037
  • Sample Detail(s): gehlenite sample from U.S.A. California, Crestmore, powder (determination of cell parameters), single crystal, 0.004 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2Al2SiO7
  • Alphabetic Formula: Al2Ca2O7Si
  • Published Formula: Ca2Al(Al,Si)2O7
  • Refined Formula: Al1.93Ca1.94O7Si0.98
  • Wyckoff Sequence: 113,fe3ca
  • Z Formula Units: 2
  • Density: ρ = 3.01 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1818927

  • 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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