Inorganic Solid Phases

MgB17.4 (Mg0.05B rhom1) Crystal Structure

General Information

  • Phase Label(s): Mg0.05B rhom1
  • Structure Class(es): β-boron family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR357
  • Space Group: 166
  • Phase Prototype: Sc3.7B101.8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), STOE IPDS II (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): boride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 123 variables; 555 reflections; I > 2σ(I), R = 0.049; wR = 0.122
  • Sample Detail(s): sample prepared from Mg, B, energy-dispersive X-ray analysis; B/Mg ratio 93.3/6.7; MgB14; amounts of MgB12 and Mg3B50C8, single crystal (determination of cell parameters), single crystal, 0.4×0.5×0.6 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: MgB17.4
  • Alphabetic Formula: B17.4Mg
  • Published Formula: MgB17.4
  • Refined Formula: B16.98Mg0.98
  • Wyckoff Sequence: 166,i4h11gfc2
  • Z Formula Units: 18
  • Density: ρ = 2.51 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_1420871

  • 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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