Inorganic Solid Phases

Na0.69Ca0.16K0.01Al6.53Mg2.57V0.11Ti0.05Cr0.02Fe0.02(BO3)3Si5.7O18.13(OH)3.87 (Na0.68Ca0.24Mg2.41Ti0.05V0.11Al6.53Si5.9[BO3]3O18.65[OH]3.35) Crystal Structure

General Information

  • Phase Label(s): Na0.68Ca0.24Mg2.41Ti0.05V0.11Al6.53Si5.9[BO3]3O18.65[OH]3.35
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): olenite
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18[OH]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (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): positions of non-H and part of H atoms determined, full-matrix least-squares refinement; 94 variables; I > 4σ(I), R = 0.0172
  • Sample Detail(s): olenite sample from Austria, Lower Austria, Amstall, Weinberg mountain, electron microprobe analysis; (Ca0.13Na0.66K0.01)(Al6.36Cr0.02V0.11Fe0.02Mg2.57Ti0.05)[BO3]3(Si5.73Al0.27)[OH]3.50O18.5, single crystal (determination of cell parameters), single crystal, 0.050 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.70Ca0.16Mg2.59Ti0.05V0.11Al6.55Si5.7[BO3]3O18.13[OH]3.87
  • Alphabetic Formula: Al6.55[BO3]3Ca0.16Mg2.59Na0.70O18.13[OH]3.87Si5.7Ti0.05V0.11
  • Published Formula: Na0.69Ca0.16K0.01Al6.53Mg2.57V0.11Ti0.05Cr0.02Fe0.02(BO3)3Si5.7O18.13(OH)3.87
  • Refined Formula: Al6.53B3Ca0.16Cr0.02Fe0.02H3K0.01Mg2.57Na0.69O31Si5.70Ti0.05V0.11
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.00 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_1124592

  • 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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