Inorganic Solid Phases

Na3.3Li4.7[AlSiO4]6·(BrO3)1.77(OH)0.23 (Na3.3Li4.7Al6[SiO4]6[BrO3]1.76[OH]0.24, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Na3.3Li4.7Al6[SiO4]6[BrO3]1.76[OH]0.24
  • Structure Class(es): zeolite SOD
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP68
  • Space Group: 218
  • Phase Prototype: K4.7Na3.3Al6[SiO4]6[BrO3]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, POLARIS (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): trioxobromate(V), hydroxide, orthosilicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.1052; RB = 0.0635
  • Sample Detail(s): sodalite group sample from synthetic, sample prepared from sodalite, lithium acetate, chemical analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na3.3Li4.7Al6[SiO4]6[BrO3]1.76[OH]0.24
  • Alphabetic Formula: Al6[BrO3]1.76Li4.7Na3.3[OH]0.24[SiO4]6
  • Published Formula: Na3.3Li4.7[AlSiO4]6·(BrO3)1.77(OH)0.23
  • Refined Formula: Al6Br2Li4.70Na3.30O30Si6
  • Wyckoff Sequence: 218,ie4dc
  • Z Formula Units: 1
  • Density: ρ = 2.57 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1408920

  • 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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