Inorganic Solid Phases

(H2N)3PBH3 (H3BP[NH2]3) Crystal Structure

General Information

  • Phase Label(s): H3BP[NH2]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP20
  • Space Group: 14
  • Phase Prototype: H3BP[NH2]3
  • Measurement Detail(s): precession photographs (determination of cell and structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): amide, borane
  • Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.077; wR = 0.0090
  • Sample Detail(s): sample prepared from [H2N]PBH4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H3BP[NH2]3
  • Alphabetic Formula: BH3[NH2]3P
  • Published Formula: (H2N)3PBH3
  • Refined Formula: BH9N3P
  • Wyckoff Sequence: 14,e5
  • Z Formula Units: 4
  • Density: ρ = 1.13 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1500888

  • 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

    Citation copied