Inorganic Solid Phases

α-LiBr·H2O (LiBr[H2O] rt) Crystal Structure

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General Information

  • Phase Label(s): LiBr[H2O] rt
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oS24
  • Space Group: 63
  • Phase Prototype: LiCl[H2O]
  • Measurement Detail(s): diffractometer (determination of structural parameters), X-rays, Cu Kα; λ = 0.15405 nm (determination of structural parameters), T = 291 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): bromide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, trial-and-error, RB = 0.103
  • Sample Detail(s): sample prepared from LiBr[H2O], chemical analysis; composition confirmed, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: LiBr[H2O]
  • Alphabetic Formula: Br[H2O]Li
  • Published Formula: α-LiBr·H2O
  • Refined Formula: BrH2LiO
  • Wyckoff Sequence: 51,fecba
  • Z Formula Units: 2
  • Density: ρ = 2.68 Mg·m−3
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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

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1712669

  • 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)

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