Inorganic Solid Phases

Ca3Cu5Si9O26 Crystal Structure

General Information

  • Phase Label(s): Ca3Cu5Si9O26
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): liebauite
  • Pearson Symbol: mS172
  • Space Group: 15
  • Phase Prototype: Ca3Cu5Si9O26
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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, least-squares refinement; 86 variables; 818 reflections; I > 3σ(I), R = 0.046; wR = 0.044
  • Sample Detail(s): liebauite sample from Germany, Rhineland-Palatinate, Eifel, Kruft, Sattelberg, electron microprobe analysis; 15.0 wt.% CaO, 34.9 wt.% CuO, 48.5 wt.% SiO2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca3Cu5Si9O26
  • Alphabetic Formula: Ca3Cu5O26Si9
  • Published Formula: Ca3Cu5Si9O26
  • Refined Formula: Ca3Cu5O26Si9
  • Wyckoff Sequence: 15,f20e2d
  • Z Formula Units: 4
  • Density: ρ = 3.62 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]

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_1409508

  • 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