Inorganic Solid Phases

Sr0.9Ba0.1CuSi4O10 (Ba0.1Sr0.9CuSi4O10) Crystal Structure

General Information

  • Phase Label(s): Ba0.1Sr0.9CuSi4O10
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): wesselsite
  • Pearson Symbol: tP64
  • Space Group: 130
  • Phase Prototype: BaFeSi4O10
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (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, full-matrix least-squares refinement on F2; 41 variables; 989 reflections; F > 4σ(F), R = 0.056; wR = 0.091
  • Sample Detail(s): wesselsite sample from South Africa, Northern Cape Province, Kalahari Manganese Field, Wessel's mine, wavelength-dispersive X-ray spectroscopy; Sr0.90Ba0.10Cu1.00Si4.00O10, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.1Sr0.9CuSi4O10
  • Alphabetic Formula: Ba0.1CuO10Si4Sr0.9
  • Published Formula: Sr0.9Ba0.1CuSi4O10
  • Refined Formula: Ba0.10CuO10Si4Sr0.91
  • Wyckoff Sequence: 130,g3fcb
  • Z Formula Units: 4
  • Density: ρ = 3.35 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1239710

  • 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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