Inorganic Solid Phases

ZrSiO4 doped with Dy (Dy0.02Zr0.98[SiO4]) Crystal Structure

General Information

  • Phase Label(s): Dy0.02Zr0.98[SiO4]
  • 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): orthosilicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; F > 4σ(F), R = 0.0163; wR = 0.0364
  • Sample Detail(s): sample prepared from ZrO2, Li2SiO4, Li2MoO4, MoO3, Dy2O3, electron microprobe analysis; 66.81 wt.% ZrO2, 31.31 wt.% SiO2, 1.57 wt.% Dy2O3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Dy0.02Zr0.98[SiO4]
  • Alphabetic Formula: Dy0.02[SiO4]Zr0.98
  • Published Formula: ZrSiO4 doped with Dy
  • Refined Formula: Dy0.02O4SiZr0.99
  • Wyckoff Sequence: 141,hba
  • Z Formula Units: 4
  • Density: ρ = 4.68 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_1811781

  • 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