Inorganic Solid Phases

Ca9.9[PO4]6[CO3]0.9 Crystal Structure

General Information

  • Phase Label(s): Ca9.9[PO4]6[CO3]0.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP96
  • Space Group: 7
  • Phase Prototype: Ca9.9[PO4]6[CO3]0.9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RAD-rC (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 156 variables, RP = 0.0598; wRP = 0.0842; RB = 0.0174
  • Sample Detail(s): sample prepared from Ca[OH]2, H3PO4, inductive coupled plasma method, thermogravimetry; Ca/P ratio 1.65/1; 4.0(3) wt.% CO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca9.9[PO4]6[CO3]0.9
  • Alphabetic Formula: [CO3]0.9Ca9.9[PO4]6
  • Published Formula: Ca9.9[PO4]6[CO3]0.9
  • Refined Formula: C0.90Ca10O26.70P6
  • Wyckoff Sequence: 7,a48
  • Z Formula Units: 2
  • Density: ρ = 3.11 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_1126679

  • 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