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OctaDist is computer software for crystallography and inorganic chemistry program. It is mainly used for computing distortion parameters of coordination complex such as spin crossover complex (SCO), magnetic metal complex and metal–organic framework (MOF).
The loss of degeneracy upon the formation of an octahedral complex from a free ion is called crystal field splitting or ligand field splitting. The energy gap is labeled Δ o, which varies according to the number and nature of the ligands. If the symmetry of the complex is lower than octahedral, the e g and t 2g levels can split
This list of structural comparison and alignment software is a compilation of software tools and web portals used in pairwise or multiple structural comparison and structural alignment. Structural comparison and alignment
NEMO 3-D [10] – enables multi-million atom electronic structure simulations in empirical tight binding; open source; an educational version is on nanoHUB and Quantum Dot Lab [11] nextnano [12] allows simulating geometry, electronic properties and electrical transport phenomena in various nanostructures using continuum models (commercial software)
In Sn 6 O 4 (OH) 4 clusters, the six tin atoms form an octahedral array with alternate faces of the octahedron occupied by an oxide or hydroxide moiety, each bonded in a μ 3-binding mode to three tin atoms. [8] Crystal structures have been reported for compounds with the formula Sn 6 O 4 (OR) 4, where R is an alkoxide such as a methyl or ethyl ...
Geodesic polyhedra are available as geometric primitives in the Blender 3D modeling software package, which calls them icospheres: they are an alternative to the UV sphere, having a more regular distribution. [4] [5] The Goldberg–Coxeter construction is an expansion of the concepts underlying geodesic polyhedra.