Inorganic Solid Phases

(Al0.61Ta0.25☐)(Al0.96☐)2(Al0.96☐)2(Al0.90☐)2(Si2.49Sb0.35As0.13)O13.46(O0.48OH0.52)(BO3) (Ta0.26Al6.46Sb0.36Si2.43[BO3]As0.21O12.6[OH]2.05) Crystal Structure

General Information

  • Phase Label(s): Ta0.26Al6.46Sb0.36Si2.43[BO3]As0.21O12.6[OH]2.05
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): holtite
  • Pearson Symbol: oP128
  • Space Group: 62
  • Phase Prototype: (Ta0.39Al0.61)0.7Al6Sb0.75Si2.25[BO3]O14.25
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.0458; wR = 0.1131
  • Sample Detail(s): holtite sample from unknown, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ta0.25Al6.25Sb0.35Si2.49[BO3]As0.13O13.94[OH]0.52
  • Alphabetic Formula: Al6.25As0.13[BO3]O13.94[OH]0.52Sb0.35Si2.49Ta0.25
  • Published Formula: (Al0.61Ta0.25☐)(Al0.96☐)2(Al0.96☐)2(Al0.90☐)2(Si2.49Sb0.35As0.13)O13.46(O0.48OH0.52)(BO3)
  • Refined Formula: Al6.24As0.13BH0.52O17.50Sb0.34Si2.50Ta0.25
  • Wyckoff Sequence: 62,d12c8
  • Z Formula Units: 4
  • Density: ρ = 3.65 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_1620665

  • 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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