Inorganic Solid Phases

Ca2.373Na0.384Yb0.243Nb1.294Ga3.526O11.491 (Na0.168Ca2.352Yb0.483Nb1.558Ga3.319O12.034, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Na0.168Ca2.352Yb0.483Nb1.558Ga3.319O12.034
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Y3Al5O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS KAPPA APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; I > 2σ(I), R = 0.0139; wR = 0.0427
  • Sample Detail(s): sample prepared from CaCO3, Nb2O5, Ga2O3, Yb2O3, Na2CO3, single crystal (determination of cell parameters), single crystal, 0.08×0.12×0.19 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.384Ca2.373Yb0.243Nb1.294Ga3.526O11.454
  • Alphabetic Formula: Ca2.373Ga3.526Na0.384Nb1.294O11.454Yb0.243
  • Published Formula: Ca2.373Na0.384Yb0.243Nb1.294Ga3.526O11.491
  • Refined Formula: Ca2.37Ga3.53Na0.38Nb1.29O12Yb0.24
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 4.74 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_1242572

  • 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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