Inorganic Solid Phases

[(H2O)5Sc(μ-OH)2Sc(H2O)5]Br4·2H2O (ScBr2[OH][H2O]6) Crystal Structure

General Information

  • Phase Label(s): ScBr2[OH][H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP40
  • Space Group: 58
  • Phase Prototype: ScCl2[OH][H2O]6
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Ag Kα; λ = 0.056087 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, bromide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 56 variables; 1290 reflections; I > 2σ(I), R = 0.0639; wR = 0.1506
  • Sample Detail(s): sample prepared from Sc2O3, HBr, EDTA complexometry, gravimetry, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: ScBr2[OH][H2O]6
  • Alphabetic Formula: Br2[H2O]6[OH]Sc
  • Published Formula: [(H2O)5Sc(μ-OH)2Sc(H2O)5]Br4·2H2O
  • Refined Formula: Br2H13O7Sc
  • Wyckoff Sequence: 58,h2g6
  • Z Formula Units: 4
  • Density: ρ = 2.09 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1633069

  • 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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