Inorganic Solid Phases

(Tl5/6Cr1/6)Sr4Cu2(CO3)1/2(NO3)1/2O7 (Sr4Cu2Tl0.83Cr0.17[CO3]0.5[NO3]0.5O7) Crystal Structure

General Information

  • Phase Label(s): Sr4Cu2Tl0.83Cr0.17[CO3]0.5[NO3]0.5O7
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP30
  • Space Group: 123
  • Phase Prototype: Sr4Cu2(Tl0.83Cr0.17)([CO3]0.5[NO3]0.5)O7
  • Measurement Detail(s): automatic diffractometer and HREM (determination of cell parameters), automatic diffractometer; Philips (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, nitrate, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.067; wRP = 0.086; RB = 0.052
  • Sample Detail(s): sample prepared from Tl2O3, Cr2O3, SrCO3, Sr[NO3]2, CuO, SrO2, Sr2CuO3, electron microprobe analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr4Cu2Tl0.83Cr0.17[CO3]0.5[NO3]0.5O7
  • Alphabetic Formula: [CO3]0.5Cr0.17Cu2[NO3]0.5O7Sr4Tl0.83
  • Published Formula: (Tl5/6Cr1/6)Sr4Cu2(CO3)1/2(NO3)1/2O7
  • Refined Formula: C0.50Cr0.15Cu2N0.50O10Sr4Tl0.85
  • Wyckoff Sequence: 123,smlih2g2da
  • Z Formula Units: 1
  • Density: ρ = 5.71 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_1413935

  • 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