LiB<sub>12</sub>PC, the First Boron‐Rich Metal Boride with Phosphorus—Synthesis, Crystal Structure, Hardness, Spectroscopic Investigations

Vojteer, Natascha; Sagawe, Vanessa; Stauffer, Julia; Schroeder, Melanie; Hillebrecht, Harald

doi:10.1002/chem.201002968

Cited by 17 publications

(7 citation statements)

References 45 publications

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“…o -MgB 12 C 2 with a C 2 unit was already mentioned . Further examples are the colorless compounds LiB 13 C 2 with a CBC unit [(Li + (B 12 ) 2− (CBC) + ] and LiB 12 PC with a disordered PC unit [Li + (B 12 ) 2− (PC) + ] . The similar ScB 13 C contains a disordered BC unit .…”

Section: Resultsmentioning

confidence: 94%

Binary Boron-Rich Borides of Magnesium: Single-Crystal Investigations and Properties of MgB₇ and the New Boride Mg_∼5B₄₄

et al. 2010

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Single crystals of dark-red MgB(7) were grown from the elements in a Cu-melt. The crystal structure (Pearson symbol oI64; space group Imma; a = 10.478(2) Å, b = 5.977(1) Å, c = 8.125(2) Å, 2842 reflns, 48 params, R(1)(F) = 0.018, R(2)(I) = 0.034) consists of a hexagonal-primitive packing of B(12)-icosahedra and B(2)-units in trigonal-prismatic voids. According to the UV-vis spectra and band structure calculations MgB(7) is semiconducting with an optical gap of 1.9 eV. The long B-B distance of 2.278 Å within the B(2)-unit can be seen as a weak bonding interaction. The new Mg(∼5)B(44) occurs beside the well-known MgB(12) as a byproduct. Small fragments of the black crystals are dark-yellow and transparent. The crystal structure (Pearson symbol tP196, space group P4(1)2(1)2, a = 10.380(2) Å, c = 14.391(3) Å, 4080 reflns, 251 params, R(1)(F) = 0.025, R(2)(I) = 0.037) is closely related to tetragonal boron-II (t-B(192)). It consists of B(12)-icosahedra and B(19+1)-units. With a charge of -6 for the B(19+1)-units and a Mg-content of ∼20 Mg-atoms per unit cell the observed Mg content in Mg(∼5)B(44) is quite close to the expected value derived from simple electron counting rules. All compositions were confirmed by EDXS. The microhardness was measured on single crystals for MgB(7) (H(V) = 2125, H(K) = 2004) and MgB(12) (H(V) = 2360, H(K) = 2459).

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Section: Resultsmentioning

confidence: 94%

Binary Boron-Rich Borides of Magnesium: Single-Crystal Investigations and Properties of MgB₇ and the New Boride Mg_∼5B₄₄

et al. 2010

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“…The icosahedron is the most common structural unit in the chemistry of boron, and is also found in borides and boride carbides of the main group elements whose crystal structures cannot be directly derived from those of the (postulated) boron allotropes. This is exemplified by BeB 3 [244,245] and the new lithium compounds, Li 2 B 12 C 2 (1), LiB 13 C 2 (2), [137] Li 2 B 12 Si 2 (3), [140] and LiB 12 PC (4), [246] of which light-green (1), colorless (2, 4), or yellow (3) single crystals have been synthesized from the elements at temperatures of 1570 K and 1770 K in tin melts. The compounds crystallize orthorhombically (space group Amm2, no.…”

Section: Boron Compounds With a T-imentioning

confidence: 99%

Boron: Elementary Challenge for Experimenters and Theoreticians

Albert¹,

Hillebrecht²

2009

Angew Chem Int Ed

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Many of the fundamental questions regarding the solid-state chemistry of boron are still unsolved, more than 200 years after its discovery. Recently, theoretical work on the existence and stability of known and new modifications of the element combined with high-pressure and high-temperature experiments have revealed new aspects. A lot has also happened over the last few years in the field of reactions between boron and main group elements. Binary compounds such as B(6)O, MgB(2), LiB(1-x), Na(3)B(20), and CaB(6) have caused much excitement, but the electron-precise, colorless boride carbides Li(2)B(12)C(2), LiB(13)C(2), and MgB(12)C(2) as well as the graphite analogue BeB(2)C(2) also deserve special attention. Physical properties such as hardness, superconductivity, neutron scattering length, and thermoelectricity have also made boron-rich compounds attractive to materials research and for applications. The greatest challenges to boron chemistry, however, are still the synthesis of monophasic products in macroscopic quantities and in the form of single crystals, the unequivocal identification and determination of crystal structures, and a thorough understanding of their electronic situation. Linked polyhedra are the dominating structural elements of the boron-rich compounds of the main group elements. In many cases, their structures can be derived from those that have been assigned to modifications of the element. Again, even these require a critical revision and discussion.

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“…The structure of solid LiB 12 PC contains B−B bonds between the icosahedra with an average length of 172.7 pm. 36 Twice the single-bond radius is 170 pm. The same crystal structure has P−C distances of 186 pm, matching the present single-bond radii, 186 pm.…”

Section: Comparisons With Later Experimentalmentioning

confidence: 99%

Additive Covalent Radii for Single-, Double-, and Triple-Bonded Molecules and Tetrahedrally Bonded Crystals: A Summary

2014

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The recent fits of additive covalent radii R(AB) = r(A) + r(B) for the title systems are reviewed and compared with alternative systems of radii by other authors or with further experimental data. The agreement of the predicted R with experiment is good, provided that the A-B bond is not too ionic, or the coordination numbers of the two atoms too different from the original input data, used in the fit. Bonds between transition metals and halides are not included in the single-bond set, because of their partial multiple-bond character.

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LiB₁₂PC, the First Boron‐Rich Metal Boride with Phosphorus—Synthesis, Crystal Structure, Hardness, Spectroscopic Investigations

Cited by 17 publications

References 45 publications

Binary Boron-Rich Borides of Magnesium: Single-Crystal Investigations and Properties of MgB₇ and the New Boride Mg_∼5B₄₄

Binary Boron-Rich Borides of Magnesium: Single-Crystal Investigations and Properties of MgB₇ and the New Boride Mg_∼5B₄₄

Boron: Elementary Challenge for Experimenters and Theoreticians

Additive Covalent Radii for Single-, Double-, and Triple-Bonded Molecules and Tetrahedrally Bonded Crystals: A Summary

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LiB12PC, the First Boron‐Rich Metal Boride with Phosphorus—Synthesis, Crystal Structure, Hardness, Spectroscopic Investigations

Cited by 17 publications

References 45 publications

Binary Boron-Rich Borides of Magnesium: Single-Crystal Investigations and Properties of MgB7 and the New Boride Mg∼5B44

Binary Boron-Rich Borides of Magnesium: Single-Crystal Investigations and Properties of MgB7 and the New Boride Mg∼5B44

Boron: Elementary Challenge for Experimenters and Theoreticians

Additive Covalent Radii for Single-, Double-, and Triple-Bonded Molecules and Tetrahedrally Bonded Crystals: A Summary

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Product

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LiB₁₂PC, the First Boron‐Rich Metal Boride with Phosphorus—Synthesis, Crystal Structure, Hardness, Spectroscopic Investigations

Binary Boron-Rich Borides of Magnesium: Single-Crystal Investigations and Properties of MgB₇ and the New Boride Mg_∼5B₄₄

Binary Boron-Rich Borides of Magnesium: Single-Crystal Investigations and Properties of MgB₇ and the New Boride Mg_∼5B₄₄