Inorganic Solid Phases

Cu[(NH3)4H2O] BeF4 (BeCuF4[NH3]4[H2O]) Crystal Structure

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General Information

  • Phase Label(s): BeCuF4[NH3]4[H2O]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP176
  • Space Group: 62
  • Phase Prototype: BeCuF4[NH3]4[H2O]
  • Measurement Detail(s): Debye-Scherrer film (determination of cell parameters), Weissenberg photographs (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Cu Kα1 (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, block-diagonal least-squares refinement; 927 reflections; I > 0σ(I), R = 0.094
  • Sample Detail(s): sample prepared from CuBeF4[H2O]5, NH3, powder (determination of cell parameters), single crystal, 0.07×0.07×0.43 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: BeCuF4[NH3]4[H2O]
  • Alphabetic Formula: BeCuF4[H2O][NH3]4
  • Published Formula: Cu[(NH3)4H2O] BeF4
  • Refined Formula: BeCuF4H14N4O
  • Wyckoff Sequence: 62,d12c20
  • Z Formula Units: 16
  • Density: ρ = 1.77 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

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
2U12 [nm2]
2U13 [nm2]
2U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1253467

  • 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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