Inorganic Solid Phases

{Y2.886Nd0.058Sc0.056}[Sc1.30Cr0.09Ga0.61](Ga2.960.04)O12 (Y2.886Sc1.356Nd0.058Cr0.009Ga3.57O12) Crystal Structure

General Information

  • Phase Label(s): Y2.886Sc1.356Nd0.058Cr0.009Ga3.57O12
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.0195; wR = 0.0226
  • Sample Detail(s): powder (determination of cell parameters), single crystal, 0.343 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Y2.886Sc1.356Nd0.058Cr0.009Ga3.57O12
  • Alphabetic Formula: Cr0.009Ga3.57Nd0.058O12Sc1.356Y2.886
  • Published Formula: {Y2.886Nd0.058Sc0.056}[Sc1.30Cr0.09Ga0.61](Ga2.960.04)O12
  • Refined Formula: Cr0.09Ga3.55Nd0.06O12Sc1.36Y2.89
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 5.31 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_0544941

  • 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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