Inorganic Solid Phases

CuAl2Si2O7(F,OH)2 (CuAl2[Si2O7]F2) Crystal Structure

General Information

  • Phase Label(s): CuAl2[Si2O7]F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP56
  • Space Group: 62
  • Phase Prototype: CuAl2[Si2O7]F2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 71 variables; 899 reflections, R = 0.018; wR = 0.046
  • Sample Detail(s): cualsite sample from synthetic, sample prepared from SiO2, Al2O3, Na3AlF6, Al[NO3]3, Cu[NO2]2, single crystal (determination of cell parameters), single crystal, 0.1×0.45×0.45 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuAl2[Si2O7]F2
  • Alphabetic Formula: Al2CuF2[Si2O7]
  • Published Formula: CuAl2Si2O7(F,OH)2
  • Refined Formula: Al1.91Cu0.94F1.96O7Si1.90
  • Wyckoff Sequence: 62,d6c2
  • Z Formula Units: 4
  • Density: ρ = 3.61 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
U [nm2]
Type
Computed
Beq [nm2]

Powder Pattern

published defraction line
2θ [°]
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_1804957

  • 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

    Citation copied