Inorganic Solid Phases

(Na0.950.05)(Ga1.34Fe2+0.62Al0.44Fe3+0.34Ni0.26)(Al3.28Ga1.92Fe2+0.41Fe3+0.39)(Si6O18)(BO3)3[(OH)2.29O0.71]O (Na0.95Fe1.76Ni0.26Al3.72Ga3.26Si6[BO3]3O19.71[OH]2.29) Crystal Structure

General Information

  • Phase Label(s): Na0.95Fe1.76Ni0.26Al3.72Ga3.26Si6[BO3]3O19.71[OH]2.29
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18([OH]0.75F0.25)4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Agilent Technologies Xcalibur (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 927 reflections; F > 4σ(F), R = 0.032; wR = 0.038
  • Sample Detail(s): energy-dispersive X-ray analysis, Mössbauer spectroscopy; (Na0.950.05)(Ga1.34Fe2+0.62Al0.44Fe3+0.34Ni0.26)(Al3.28Ga1.92Fe2+0.41Fe3+0.39)[Si6O18][BO3]3([OH]2.29O0.71)O, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.95Fe1.76Ni0.26Al3.72Ga3.26Si6[BO3]3O19.71[OH]2.29
  • Alphabetic Formula: Al3.72[BO3]3Fe1.76Ga3.26Na0.95Ni0.26O19.71[OH]2.29Si6
  • Published Formula: (Na0.950.05)(Ga1.34Fe2+0.62Al0.44Fe3+0.34Ni0.26)(Al3.28Ga1.92Fe2+0.41Fe3+0.39)(Si6O18)(BO3)3[(OH)2.29O0.71]O
  • Refined Formula: Al3.72B3Fe1.76Ga3.26H3Na0.95Ni0.26O31Si6
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.60 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_1242213

  • 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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