Inorganic Solid Phases

Na0.23Ca0.68Al1.53Li1.25Mn0.19Fe0.02Ti0.01Al6.00Si6.00O0.85F0.76(OH)2.39(BO3)3O18 (Na0.25Li1.09Ca0.68Mn0.25Al7.67Si6[BO3]3O19.21[OH]2.19F0.6) Crystal Structure

General Information

  • Phase Label(s): Na0.25Li1.09Ca0.68Mn0.25Al7.67Si6[BO3]3O19.21[OH]2.19F0.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): elbaite/liddicoatite
  • Pearson Symbol: aP50
  • Space Group: 1
  • Phase Prototype: *
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 723 variables; 3404 reflections; F > 4σ(F), R = 0.0193; wR = 0.0905
  • Sample Detail(s): tourmaline group sample from Russia, Transbaikal (Zabaikale), Malkhan field, electron microprobe analysis; Na0.23Ca0.68Al1.53Li1.25Mn0.19Fe0.02Ti0.01Al6.00Si6.00O0.85F0.76[OH]2.39[BO3]3O18, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.23Li1.25Ca0.68Mn0.21Al7.53Si6[BO3]3O18.85[OH]2.39F0.76
  • Alphabetic Formula: Al7.53[BO3]3Ca0.68F0.76Li1.25Mn0.21Na0.23O18.85[OH]2.39Si6
  • Published Formula: Na0.23Ca0.68Al1.53Li1.25Mn0.19Fe0.02Ti0.01Al6.00Si6.00O0.85F0.76(OH)2.39(BO3)3O18
  • Refined Formula: Al7.57B3.05Ca0.67FLi1.43Na0.33O30Si5.95
  • Wyckoff Sequence: 8,b63a24
  • Z Formula Units: 6
  • Density: ρ = 3.09 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_1217468

  • 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