Inorganic Solid Phases

(Na0.76Ca0.07K0.010.16)(Al1.14Mn2+0.50Li0.49Fe2+0.45Fe3+0.11Zn0.09Ti4+0.010.21)(Al6.00)(Si5.77Al0.20B0.03)(BO3)3O18(OH)3O0.05F0.69(OH)0.26 (Na0.88Li0.51Mn0.86Fe0.06Al7.60Si5.74B3.02O27[OH]3.37F0.54) Crystal Structure

General Information

  • Phase Label(s): Na0.88Li0.51Mn0.86Fe0.06Al7.60Si5.74B3.02O27[OH]3.37F0.54
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): elbaite
  • 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): hydroxide, borate, silicate, fluoride
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement on F2; 96 variables; 5651 reflections, R = 0.0154
  • Sample Detail(s): elbaite sample from U.S.A. California, San Diego County, Himalaya mine, electron microprobe analysis, Mössbauer spectroscopy; (Na0.76Ca0.07K0.010.16)(Al1.14Mn2+0.50Li0.49Fe2+0.45Fe3+0.11Zn0.09Ti4+0.010.21)(Al6.00)(Si5.77Al0.20B0.03)[BO3]3O18[OH]3O0.05F0.69[OH]0.26, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.9Li0.49Mn0.62Fe0.56Al7.37Si5.77[BO3]3O18.05[OH]3.26F0.69
  • Alphabetic Formula: Al7.37[BO3]3F0.69Fe0.56Li0.49Mn0.62Na0.9O18.05[OH]3.26Si5.77
  • Published Formula: (Na0.76Ca0.07K0.010.16)(Al1.14Mn2+0.50Li0.49Fe2+0.45Fe3+0.11Zn0.09Ti4+0.010.21)(Al6.00)(Si5.77Al0.20B0.03)(BO3)3O18(OH)3O0.05F0.69(OH)0.26
  • Refined Formula: Al8.39B3Fe0.61H4Na0.85O31Si6
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.13 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_1225378

  • 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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