Inorganic Solid Phases

BAS:Yb3+ (Ba0.995Yb0.005Al2Si2O8) Crystal Structure

General Information

  • Phase Label(s): Ba0.995Yb0.005Al2Si2O8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP13
  • Space Group: 147
  • Phase Prototype: BaAl2[SiO4]2-a
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1710 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement
  • Sample Detail(s): sample prepared from Ba-LTA, Yb3+, inductive coupled plasma method; Ba and Yb content analyzed; Ba5.97Yb0.03Al12Si12O48, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.995Yb0.005Al2[SiO4]2
  • Alphabetic Formula: Al2Ba0.995[SiO4]2Yb0.005
  • Published Formula: BAS:Yb3+
  • Refined Formula: Al2Ba0.84O8Si2Yb0
  • Wyckoff Sequence: 147,gd3a
  • Z Formula Units: 1
  • Density: ρ = 3.30 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_1818306

  • 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