Inorganic Solid Phases

(Ba0.76Ca0.19Sr0.10Ce0.01)(Al2.74Fe3+0.25)(P0.96Si0.03)O4(PO3OH)(OH)6.02 (HBa0.72Sr0.10Ca0.18Ce0.01Fe0.25Al2.74[SiO4]0.03[PO4]1.96[OH]6) Crystal Structure

General Information

  • Phase Label(s): HBa0.72Sr0.10Ca0.18Ce0.01Fe0.25Al2.74[SiO4]0.03[PO4]1.96[OH]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gorceixite R
  • Pearson Symbol: hR60
  • Space Group: 160
  • Phase Prototype: BaAl3[PO4]2[OH]5[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D500 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15405 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, orthosilicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 43 variables, RP = 0.0287; wRP = 0.0367
  • Sample Detail(s): gorceixite sample from Brazil, Goias, Catalao I mine, electron microprobe analysis; (Ba0.76Ca0.19Sr0.10Ce0.01)(Al2.74Fe3+0.25)(P0.96Si0.03)O4[PO3OH][OH]6.02, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: HBa0.72Sr0.10Ca0.18Ce0.01Fe0.25Al2.74[SiO4]0.03[PO4]1.96[OH]6
  • Alphabetic Formula: Al2.74Ba0.72Ca0.18Ce0.01Fe0.25H[OH]6[PO4]1.96[SiO4]0.03Sr0.10
  • Published Formula: (Ba0.76Ca0.19Sr0.10Ce0.01)(Al2.74Fe3+0.25)(P0.96Si0.03)O4(PO3OH)(OH)6.02
  • Refined Formula: Al2.73Ba0.72Ca0.18Fe0.27H7O14P2Sr0.10
  • Wyckoff Sequence: 160,b5a5
  • Z Formula Units: 3
  • Density: ρ = 3.33 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_1218443

  • 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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