Inorganic Solid Phases

feruvite (specimen 53,776) (Na0.4Ca0.6Mg2.4Ti0.3Fe2.1Al4.2Si6[BO3]3O18[OH]4) Crystal Structure

General Information

  • Phase Label(s): Na0.4Ca0.6Mg2.4Ti0.3Fe2.1Al4.2Si6[BO3]3O18[OH]4
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): feruvite/uvite
  • 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; Nicolet R3m (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, full-matrix least-squares refinement, R = 0.0160; wR = 0.0163
  • Sample Detail(s): feruvite sample from New Zealand, Cuvier Island, electron microprobe analysis; 35.32 wt.% SiO2, 10.38 wt.% B2O3, 23.38 wt.% Al2O3, 5.44 wt.% Fe2O3, 8.66 wt.% FeO, 0.07 wt.% MnO, 7.80 wt.% MgO, 3.30 wt.% CaO, 1.16 wt.% Na2O, 0.05 wt.% K2O, 3.10 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.2 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.40Ca0.60Mg2.04Ti0.28Fe1.98Al4.80Si5.78B0.12[BO3]3O18.36[OH]3.64
  • Alphabetic Formula: Al4.80B0.12[BO3]3Ca0.60Fe1.98Mg2.04Na0.40O18.36[OH]3.64Si5.78Ti0.28
  • Published Formula: feruvite (specimen 53,776)
  • Refined Formula: Al4.80B3.12Ca0.60Fe1.98H3.64Mg2.04Na0.40O31Si5.78Ti0.28
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.20 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_1012333

  • 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