Inorganic Solid Phases

RbBa(NH2)3 (Rb0.67Ba0.67[NH2]2) Crystal Structure

General Information

  • Phase Label(s): Rb0.67Ba0.67[NH2]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oF96
  • Space Group: 70
  • Phase Prototype: K0.67Eu0.67[NH2]2
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): amide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 630 reflections; F2 > 3σ(F2), R = 0.096; wR = 0.117
  • Sample Detail(s): sample prepared from Rb, Ba, NH3, chemical analysis; composition confirmed, single crystal, 0.08×0.09×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Rb0.67Ba0.67[NH2]2
  • Alphabetic Formula: Ba0.67[NH2]2Rb0.67
  • Published Formula: RbBa(NH2)3
  • Refined Formula: Ba0.67H4N2Rb0.67
  • Wyckoff Sequence: 70,hg2fba
  • Z Formula Units: 24
  • Density: ρ = 2.85 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_1710850

  • 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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