Inorganic Solid Phases

ZrSiO4 doped with Gd and P (Gd0.04Zr0.96[SiO4]0.99[PO4]0.01) Crystal Structure

General Information

  • Phase Label(s): Gd0.04Zr0.96[SiO4]0.99[PO4]0.01
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI24
  • Space Group: 141
  • Phase Prototype: Zr[SiO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; F > 4σ(F), R = 0.0142; wR = 0.0278
  • Sample Detail(s): sample prepared from ZrO2, Li2SiO4, Li2MoO4, MoO3, Gd2O3, [NH4]2HPO4, electron microprobe analysis; 62.21 wt.% ZrO2, 30.05 wt.% SiO2, 4.23 wt.% Gd2O3, 1.55 wt.% P2O5, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Gd0.04Zr0.96[SiO4]0.99[PO4]0.01
  • Alphabetic Formula: Gd0.04[PO4]0.01[SiO4]0.99Zr0.96
  • Published Formula: ZrSiO4 doped with Gd and P
  • Refined Formula: Gd0.02O4P0.01Si0.99Zr0.98
  • Wyckoff Sequence: 141,hba
  • Z Formula Units: 4
  • Density: ρ = 4.71 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1811783

  • 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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