Crystal Chemistry of Boron and of Some Boron-Rich Phases; Preparation of Boron Modifications

Naslain, R.

doi:10.1007/978-3-642-66620-9_11

Cited by 39 publications

(9 citation statements)

References 78 publications

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“…The crystalline forms of boron embody some of the most complex crystal structures for a pure element [55,56]. Over 50 types of boron structure have been proposed in the literature, but it is now widely accepted that only three crystalline forms of boron, the α-rhombohedral, β-rhombohedral and tetragonal crystalline forms occur, the remaining structures resulting from stabilization due to impurity atoms.…”

Section: Liquid Boronmentioning

confidence: 99%

X-ray diffraction from levitated liquids

Krishnan¹,

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2000

J. Phys.: Condens. Matter

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The ability of containerless techniques to access very high liquid temperatures, maintain specimen purity, enable control of specimen chemistry and access the supercooled state has created new opportunities to study high-temperature liquids with a very high degree of control. Recently, these have been combined with x-ray diffraction at synchrotron sources to provide structural information not previously available. This article reviews and summarizes recent results obtained from x-ray diffraction on levitated liquid materials in both the normal and supercooled states. In particular, it addresses the effects of supercooling on the short-range structure, including interatomic distances and coordinations, of several high-temperature molten oxides, semiconductors and metallic materials. The properties of these liquids are discussed in the context of available molecular dynamics simulations and thermophysical property data.

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Section: Liquid Boronmentioning

confidence: 99%

X-ray diffraction from levitated liquids

Krishnan¹,

Price

2000

J. Phys.: Condens. Matter

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“…Boron solids like the α-, β-rhombohedral and α-tetragonal boron are composed of unit cells containing B 12 icosahedra [5]. The α-rh.…”

mentioning

confidence: 99%

“…The interatomic bond length of each icosahedron is 1.685 Å and the distance obtained between the icosahedra is about 1.651 Å. The experimental value of both distances is around 1.71 Å [5]. One suitable measure for the cluster stability is the binding energy per atom, defined as follows:…”

mentioning

confidence: 99%

Tubular structure in α-rhombohedral quasicrystals: Ab initio study of two fused boron icosahedra

1996

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An oblate rhombohedral unit cell of α-boron crystal was constructed and the transition of two icosahedra lying at the ends of its short body diagonal was simulated. By applying ab initio Hartree-Fock self-consistent field methods different configurations of two icosahedra were investigated. The obtained structure B24 exhibits a closed tubular form of two coalesced interpenetrating icosahedra. A model based on a B21 cluster, composed of two icosahedra with mutual three interfacing atoms suggested in a previous study, was also investigated.

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“…The crystal chemistry of boron always attracted great attention of experimentalists and theoreticians, thanks to the extremely rich diversity of the atomic architectures mostly caused by a unique ability of boron atoms to form structural groups of different composition, size, and extension. − At present, more than one thousand binary and ternary inorganic borides have been obtained, which crystallize in more than 150 different structural types . When describing a boride crystal structure, one assigns it to a certain structure type and characterizes the structural groups composed of boron and/or metal atoms, their mutual arrangement, and coordination polyhedra. − Depending on the composition of the boride, i.e., the B/Me ratio, one can distinguish metal-rich or boron-rich borides .…”

Section: Introductionmentioning

confidence: 99%

Boron Substructures in Inorganic Borides: Network Topology and Free Space

Medrish

Блатов

2023

Crystal Growth & Design

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We have analyzed polymeric boron substructures in all 1154 robust inorganic borides from the Inorganic Crystal Structure Database using topological and geometrical models as implemented in the ToposPro program package. We have classified all boron substructures into 63 topological types of atomic networks depending on the method of connection and discriminated them by periodicity into molecular, chain, layer, or framework motifs. We have revealed topological relations between boron motifs of different topologies and periodicities and found the boron substructures that can serve as templates for assembling motifs of a more complicated topology and/or a higher periodicity. We have applied the natural tiling approach to find all cages in a particular boron substructure and estimated the size of these cages with Voronoi polyhedra. The sizes of all metal atoms, which occur in the inorganic borides, have also been calculated in the same way. As a result, we have explained the composition of some borides and showed that the combined geometrical−topological approach helps one to estimate the feasibility of possible new boride structures and to refine the conditions for the synthesis or to prepare initial structural data for the subsequent predictive modeling.

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Crystal Chemistry of Boron and of Some Boron-Rich Phases; Preparation of Boron Modifications

Cited by 39 publications

References 78 publications

X-ray diffraction from levitated liquids

X-ray diffraction from levitated liquids

Tubular structure in α-rhombohedral quasicrystals: Ab initio study of two fused boron icosahedra

Boron Substructures in Inorganic Borides: Network Topology and Free Space

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