Inorganic Solid Phases

CaAl2Si2O8 (Ca2Al4Si4O16 tricl) Crystal Structure

General Information

  • Phase Label(s): Ca2Al4Si4O16 tricl
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): anorthite I
  • Pearson Symbol: aP54
  • Space Group: 2
  • Phase Prototype: Na0.68Ca1.28(Al0.4Si0.6)8O16
  • Measurement Detail(s): automatic diffractometer; 10 (determination of cell parameters), automatic diffractometer; Picker (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; pressure dependence studied, 114 variables; 1822 reflections; I > 3σ(I), R = 0.071; wR = 0.050
  • Sample Detail(s): anorthite sample from Austria, Tyrol, Val Pasmeda, single crystal (determination of cell parameters), single crystal, 0.060×0.060×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaAl2Si2O8
  • Alphabetic Formula: Al2CaO8Si2
  • Published Formula: CaAl2Si2O8
  • Refined Formula: Al2CaO8Si2
  • Wyckoff Sequence: 2,i28
  • Z Formula Units: 4
  • Density: ρ = 2.76 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_1616324

  • 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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