Inorganic Solid Phases

Ca20.22H1.56O56P14, A4_2 (H0.80Ca10.10[PO4]7) Crystal Structure

General Information

  • Phase Label(s): H0.80Ca10.10[PO4]7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR288
  • Space Group: 161
  • Phase Prototype: H0.825Ca9.22Mg0.685Fe0.115Al0.045[PO4]7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα; λ = 0.1540598 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.0613
  • Sample Detail(s): sample prepared from CaCl2[H2O]2, H3PO4, amounts of CaHPO4 and Ca5[PO4]3Cl0.9F0.1, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.78Ca10.11[PO4]7
  • Alphabetic Formula: Ca10.11H0.78[PO4]7
  • Published Formula: Ca20.22H1.56O56P14, A4_2
  • Refined Formula: Ca10.11H0.78O28P7
  • Wyckoff Sequence: 161,b14a6
  • Z Formula Units: 6
  • Density: ρ = 3.00 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_1144948

  • 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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