Inorganic Solid Phases

Ca4.62Y0.38(PO4)3Cu0.25OH0.37−d (Ca4.58Cu0.11Y0.42[PO4]3O0.53[OH]0.47) Crystal Structure

General Information

  • Phase Label(s): Ca4.58Cu0.11Y0.42[PO4]3O0.53[OH]0.47
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP46
  • Space Group: 176
  • Phase Prototype: Ca5Cu0.27[PO4]3O0.54[OH]0.32
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, multiphase, wRP = 0.0499
  • Sample Detail(s): sample prepared from CaCO3, [NH4]2HPO4, Y2O3, Li2CO3, CuO, amounts of Y2O3 (2.0 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca4.62Cu0.25Y0.38[PO4]3O0.63[OH]0.37
  • Alphabetic Formula: Ca4.62Cu0.25O0.63[OH]0.37[PO4]3Y0.38
  • Published Formula: Ca4.62Y0.38(PO4)3Cu0.25OH0.37−d
  • Refined Formula: Ca4.63Cu0.25H0.37O13P3Y0.38
  • Wyckoff Sequence: 176,ih4feb
  • Z Formula Units: 2
  • Density: ρ = 3.37 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1639538

  • 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

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