Inorganic Solid Phases

Nd2Sr3Cu3O6(BO3)2 (Sr3Cu3Nd2[BO3]2O6) Crystal Structure

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General Information

  • Phase Label(s): Sr3Cu3Nd2[BO3]2O6
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: tP176
  • Space Group: 126
  • Phase Prototype: Sr3Cu3Nd2[BO3]2O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RAD-C (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthoborate, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0822; RB = 0.0460
  • Sample Detail(s): sample prepared from H3BO3, CuO, Nd2O3, SrCO3, inductive coupled plasma method; 30.5 wt.% Nd, 26.8 wt.% Sr, 19.9 wt.% Cu, 2.19 wt.% B, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr3Cu3Nd2[BO3]2O6
  • Alphabetic Formula: [BO3]2Cu3Nd2O6Sr3
  • Published Formula: Nd2Sr3Cu3O6(BO3)2
  • Refined Formula: B2Cu3Nd2O12Sr3
  • Wyckoff Sequence: 126,k7jihg2e5d
  • Z Formula Units: 8
  • Density: ρ = 5.87 Mg·m−3
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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_1625111

  • 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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