Inorganic Solid Phases

Eu1.5Ba6.5Cu16P30 (Ba3.25Cu8Eu0.75P15) Crystal Structure

General Information

  • Phase Label(s): Ba3.25Cu8Eu0.75P15
  • Structure Class(es): clathrate
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP216
  • Space Group: 60
  • Phase Prototype: Cu8Ba4P15
  • Measurement Detail(s): automatic diffractometer; 5297 (determination of cell parameters), automatic diffractometer; Rigaku AFC7 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): phosphide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement; 251 variables; 3654 reflections; F > 2σ(F), R = 0.033
  • Sample Detail(s): sample prepared from Ba, Eu, Cu, P red, energy-dispersive X-ray analysis; amounts of Ba3P2 (2 wt.%), single crystal (determination of cell parameters), single crystal, 0.1×0.22×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba3.25Cu8Eu0.75P15
  • Alphabetic Formula: Ba3.25Cu8Eu0.75P15
  • Published Formula: Eu1.5Ba6.5Cu16P30
  • Refined Formula: Ba3.24Cu8Eu0.75P15
  • Wyckoff Sequence: 60,d26cb
  • Z Formula Units: 8
  • Density: ρ = 5.15 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]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1632927

  • 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