Inorganic Solid Phases

BaTm[Si4−xAlxOxN7−x] or BaTmSi2.4Al1.6O1.6N5.4 (BaTmAl1.6Si2.4N5.4O1.6) Crystal Structure

General Information

  • Phase Label(s): BaTmAl1.6Si2.4N5.4O1.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP26
  • Space Group: 186
  • Phase Prototype: NaBe4SbO7
  • Measurement Detail(s): automatic diffractometer; 115 (determination of cell parameters), automatic diffractometer; STOE STADI 4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitride, oxide
  • Interpretation Detail(s): complete structure determined; absolute structure determined, full-matrix least-squares refinement on F2; 32 variables; 752 reflections; I > 2σ(I), R = 0.0239; wR = 0.0493
  • Sample Detail(s): sample prepared from Tm, Si[NH2]2, AlN, BaCO3, BaCl2, electron microprobe analysis; Ba0.95TmAl1.67Si2.37N4.89O1.80, single crystal (determination of cell parameters), single crystal, 0.067×0.071×0.086 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: BaTmAl1.6Si2.4N5.4O1.6
  • Alphabetic Formula: Al1.6BaN5.4O1.6Si2.4Tm
  • Published Formula: BaTm[Si4−xAlxOxN7−x] or BaTmSi2.4Al1.6O1.6N5.4
  • Refined Formula: Al1.60BaN5.38O1.62Si2.40Tm
  • Wyckoff Sequence: 186,c3b2a2
  • Z Formula Units: 2
  • Density: ρ = 5.38 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_1623420

  • 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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