Inorganic Solid Phases

Si0.954Zr0.807Hf0.056Sc0.009Y0.088Dy0.005Er0.005Yb0.007Th0.005U0.022P0.055O4 (Y0.1Hf0.1Zr0.8[SiO4]0.9[PO4]0.1) Crystal Structure

General Information

  • Phase Label(s): Y0.1Hf0.1Zr0.8[SiO4]0.9[PO4]0.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zircon
  • Pearson Symbol: tI24
  • Space Group: 141
  • Phase Prototype: Zr[SiO4]
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Rigaku AFC7R (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 75 reflections; F > 4σ(F), R = 0.043; wR = 0.156
  • Sample Detail(s): zircon sample from Japan, Fukushima Prefecture, Takenouchi granitic pegmatite, electron microprobe analysis; Si0.954(14)Zr0.807(8)Hf0.056(4)Sc0.009(8)Y0.088(13)Dy0.005(1)Er0.005(1)Yb0.007(1)Th0.005(1)U0.022(3)P0.055(14)O4, single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Y0.1Hf0.1Zr0.8[SiO4]0.9[PO4]0.1
  • Alphabetic Formula: Hf0.1[PO4]0.1[SiO4]0.9Y0.1Zr0.8
  • Published Formula: Si0.954Zr0.807Hf0.056Sc0.009Y0.088Dy0.005Er0.005Yb0.007Th0.005U0.022P0.055O4
  • Refined Formula: Dy0.01Er0.01Hf0.05O4P0.05Sc0.01Si0.95Th0.01U0.02Y0.08Yb0.01Zr0.80
  • Wyckoff Sequence: 141,hba
  • Z Formula Units: 4
  • Density: ρ = 4.72 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_1225507

  • 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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