Inorganic Solid Phases

Pb9.30K0.60(PO4)6(OH)1.20 (K0.30Pb4.65[PO4]3[OH]0.6) Crystal Structure

General Information

  • Phase Label(s): K0.30Pb4.65[PO4]3[OH]0.6
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP44
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3[OH]
  • Measurement Detail(s): automatic diffractometer; Seifert XRD-3000 TT (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, R = 0.031; RP = 0.16; wRP = 0.11; RB = 0.037
  • Sample Detail(s): sample prepared from Pb[NO3]2, [NH4]2[HPO4], chemical analysis; Pb9.28K0.59[PO4]5.99[OH]1.18, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.30Pb4.65[PO4]3[OH]0.6
  • Alphabetic Formula: K0.30[OH]0.6[PO4]3Pb4.65
  • Published Formula: Pb9.30K0.60(PO4)6(OH)1.20
  • Refined Formula: H0.60K0.30O12.60P3Pb4.65
  • Wyckoff Sequence: 176,ih4fe
  • Z Formula Units: 2
  • Density: ρ = 6.83 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1905689

  • 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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