Inorganic Solid Phases

β'-Ca9Fe(PO4)7 (Ca9Fe[PO4]7 ht, T = 923 K) Crystal Structure

General Information

  • Phase Label(s): Ca9Fe[PO4]7 ht
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: hR342
  • Space Group: 167
  • Phase Prototype: Ca9Fe[PO4]7
  • Measurement Detail(s): automatic diffractometer; Siemens D500 (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters), T = 923 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 65 variables, RP = 0.0114; wRP = 0.0148; RB = 0.0216
  • Sample Detail(s): sample prepared from Fe2O3 (hematite), CaCO3, Ca2P2O7, energy-dispersive X-ray analysis; Fe/Ca/P ratio 5.2/49.3/45.4, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca9Fe[PO4]7
  • Alphabetic Formula: Ca9Fe[PO4]7
  • Published Formula: β'-Ca9Fe(PO4)7
  • Refined Formula: Ca9FeO28P7
  • Wyckoff Sequence: 167,f9cb
  • Z Formula Units: 6
  • Density: ρ = 3.05 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_1906511

  • 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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