Inorganic Solid Phases

Sr2.3Ca0.7Cu2O4.7Cl1.3 (Sr2.3Ca0.7Cu2Cl1.2O4.8) Crystal Structure

General Information

  • Phase Label(s): Sr2.3Ca0.7Cu2Cl1.2O4.8
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI26
  • Space Group: 139
  • Phase Prototype: (Sr0.77Ca0.23)3Cu2Cl1.3O4.35
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.0569
  • Sample Detail(s): sample prepared from SrO2, CuO, Sr2CuO3, SrCuO2, Sr2CuO2Cl2, Ca2CuO2Cl2, energy-dispersive X-ray analysis; Sr/Ca/Cu/Cl ratio 2.1/0.9/2.0/1.3; trace amounts of CuO and unidentified phase, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr2.3Ca0.7Cu2Cl1.3O4.7
  • Alphabetic Formula: Ca0.7Cl1.3Cu2O4.7Sr2.3
  • Published Formula: Sr2.3Ca0.7Cu2O4.7Cl1.3
  • Refined Formula: Ca0.70Cl1.24Cu2O4.76Sr2.30
  • Wyckoff Sequence: 139,ge4a
  • Z Formula Units: 2
  • Density: ρ = 4.79 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_1237273

  • 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)

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