Inorganic Solid Phases

(Al,Ta,)Al6(BO3)(Si,Sb3+,As3+)3O12(O,OH,)3, Al5.92(Ta,Nb)0.250.83BSi2.00(Sb,As)1.00O16.00(OH)1.00 (Ta0.26Al6.46Sb0.36Si2.43[BO3]As0.21O12.6[OH]2.05) Crystal Structure

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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 parameters), automatic diffractometer; Bruker AXS X8 SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (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; 165 variables; 1741 reflections, R = 0.0297; wR = 0.0446
  • Sample Detail(s): holtite sample from Australia, Western Australia, Greenbushes, electron microprobe analysis; Nb5+0.003Ta5+0.345Si4+2.120Ti4+0.008B3+Al3+5.959Fe3+0.028As3+0.198Sb3+0.828O17.145, single crystal (determination of cell parameters), single crystal, 0.06×0.08×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ta0.248Al5.92Sb0.8Si2BAs0.2O16[OH]
  • Alphabetic Formula: Al5.92As0.2BO16[OH]Sb0.8Si2Ta0.248
  • Published Formula: (Al,Ta,)Al6(BO3)(Si,Sb3+,As3+)3O12(O,OH,)3, Al5.92(Ta,Nb)0.250.83BSi2.00(Sb,As)1.00O16.00(OH)1.00
  • Refined Formula: Al6.37As0.05BO17.16Sb0.79Si2.16Ta0.26
  • Wyckoff Sequence: 62,d12c8
  • Z Formula Units: 4
  • Density: ρ = 3.84 Mg·m−3
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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_1223375

  • 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)

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