Inorganic Solid Phases

ErBaSrCu2.9(PO4)0.1O6.61 (BaSrCu2.9Er[PO4]0.1O6.61) Crystal Structure

General Information

  • Phase Label(s): BaSrCu2.9Er[PO4]0.1O6.61
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP24
  • Space Group: 47
  • Phase Prototype: (Ba0.5Sr0.5)2Cu2.9Er[PO4]0.1O6.61
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Missouri, Columbia, University of Missouri Research Reactor Center, MURR reactor (determination of structural parameters), neutrons; λ = 0.17675 nm (determination of cell parameters), neutrons (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0430; wRP = 0.0576; RB = 0.0616
  • Sample Detail(s): sample prepared from oxide, carbonate, NH4H2PO4, energy-dispersive X-ray analysis, iodometric titration; composition confirmed by energy-dispersive X-ray analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaSrCu2.9Er[PO4]0.1O6.61
  • Alphabetic Formula: BaCu2.9ErO6.61[PO4]0.1Sr
  • Published Formula: ErBaSrCu2.9(PO4)0.1O6.61
  • Refined Formula: BaCu2.90ErO7.01P0.10Sr
  • Wyckoff Sequence: 47,yxwsrq2heba
  • Z Formula Units: 1
  • Density: ρ = 6.78 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_1504094

  • 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