In:
Acta Crystallographica Section C Structural Chemistry, International Union of Crystallography (IUCr), Vol. 76, No. 6 ( 2020-06-01), p. 541-546
Abstract:
The crystal structure of MgCoGa 2 (magnesium cobalt digallide) was solved by direct methods and refined in two space groups as P 2 1 / c (standard choice) and P 2 1 / n (non-standard choice). The refined lattice parameters for the standard choice are a = 5.1505 (2), b = 7.2571 (2), c = 8.0264 (3) Å and β = 125.571 (3)°, and for the non-standard choice are a = 5.1505 (2), b = 7.2571 (2), c = 6.5464 (2) Å and β = 94.217 (3)°. All parameters for MgCoGa 2 refined to R 1 = 0.027 and wR 2 = 0.042 using 594 reflections. The crystal structure peculiarities of this compound are discussed. Particular attention has been given to relationships with other similar structures, such as YPd 2 Si and Fe 3 C. Crystallographic analysis, together with linear muffin-tin orbital electronic structure calculations, reveals the presence of three-dimensional polyatomic nets with partial covalent bonding between the Ga atoms.
Type of Medium:
Online Resource
ISSN:
2053-2296
DOI:
10.1107/S205322962000594X
DOI:
10.1107/S205322962000594X/fn3333sup1.cif
DOI:
10.1107/S205322962000594X/fn3333Isup2.hkl
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2020
detail.hit.zdb_id:
2025703-X
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