Inorganic Solid Phases

Ba(BAsO5) (BaB[AsO4]O) Crystal Structure

General Information

  • Phase Label(s): BaB[AsO4]O
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP24
  • Space Group: 144
  • Phase Prototype: Ce[SiO4]BO
  • Measurement Detail(s): automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, borate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 74 variables; 461 reflections; F > 4σ(F), R = 0.0529; wR = 0.0964
  • Sample Detail(s): sample prepared from B2O3, [As2O5]3[H2O]5, BaO, energy-dispersive X-ray analysis; Ba and As content analyzed; amounts of Ba3[AsO4]2 (50 wt.%), single crystal, 0.05×0.1×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: BaB[AsO4]O
  • Alphabetic Formula: [AsO4]BBaO
  • Published Formula: Ba(BAsO5)
  • Refined Formula: AsBBaO5
  • Wyckoff Sequence: 144,a8
  • Z Formula Units: 3
  • Density: ρ = 4.65 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_1709803

  • 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