Crystal Structure Of Boron-rich Metal Borides (data Page)

This article contains crystal structure data used in the article crystal structure of boron-rich metal borides.

Table I

*Chemical composition can be calculated as Y_0.62Al_0.71B₁₄.

Table II

Table III

^a The number ''n'' in the atom designation B''n,n'' refers to the B₁₂-''n''th icosahedron to which the B''n,n'' belongs. Si6.''n'' and B6.''n'' belong to the B₁₂Si₃ unit.

^b,c,d The Si and B sites are in the same interstice, which is assumed to be fully occupied by both Si and B atoms with occupancies of Occ.(Si) and Occ.(B), respectively, where Occ.(Si)+Occ.(B) = 1. Position of the boron atom was adjusted independently by fixing the thermal parameters at the same value as for the Si atom in the same interstice.

^e The temperature factor is fixed at this value.

^f Equivalent isotropic temperature factor. It was calculated from the relation ''B''_eq. = 4/3(''a''²β₁₁ + ''b''²β₂₂ + ''c''²β₃₃).

Table IVa

Structure data for homologous compounds.

*The sum of those values was fixed at 1.0.

Table IVb

Table IVc

Table Va

*The sum of those values was fixed at 1.0.

Table Vb

Table VI

^a Obtained by structure analysis.

Table VII

Table VIII

^a Anisotropic thermal factors are applied to Sc sites, and ''U''_eq (one-third of the trace of the orthogonalized ''U''_ij tensor) is listed in these columns.

Table IX

^a Anisotropic thermal factors are applied to Sc sites, and ''U''_eq (one-third of the trace of the orthogonalized ''U''_ij tensor) is listed in these columns.

Table X

^a Anisotropic thermal factors are applied to Sc sites, and ''U''_eq (one-third of the trace of the orthogonalized ''U''_ij tensor) is listed in these columns.

References

{{reflist, 2, refs=

{{cite journal, vauthors=Higashi I, Tanaka T, Kobayashi K, Ishizawa Y, Takami M , year=1997, title=Crystal Structure of YB₄₁Si_1.2, journal=J. Solid State Chem., doi=10.1006/jssc.1997.7307, volume=133, issue=1, page=11, bibcode=1997JSSCh.133...11H

{{cite journal, vauthors=Korsukova MM, Gurin VN, Kuz'ma YB, Chaban NF, Chikhrij SI, Moshchalkov VV, Braudt NB, Gippius AA, Nyan KK , year=1989, title=Crystal Structure, Electrical, and Magnetic Properties of the New Ternary Compounds LnAlB₄₄, journal=Physica Status Solidi A, volume=114, issue=1, page=265, doi=10.1002/pssa.2211140126, bibcode=1989PSSAR.114..265K

{{cite journal, vauthors=Tanaka T, Kamiya K, Numazawa T, Sato A, Takenouchi S, year=2006, journal=Z. Kristallogr., volume=221, page=472, doi=10.1524/zkri.2006.221.5-7.472, bibcode = 2006ZK....221..472T , title=The effect of transition metal doping on thermal conductivity of YB₆₆, issue=5–7, s2cid=94723178

{{cite journal, vauthors=Leithe-Jasper A, Tanaka T, Bourgeois L, Mori T, Michiue Y , year=2004, title=New quaternary carbon and nitrogen stabilized polyborides: REB_15.5CN (RE: Sc, Y, Ho, Er, Tm, Lu), crystal structure and compound formation, journal=J. Solid State Chem., doi=10.1016/j.jssc.2003.02.003, volume=177, page=431, issue=2, bibcode=2004JSSCh.177..431L

{{cite journal, vauthors=Zhang FX, Leithe-Jasper A, Xu J, Matsui Y, Tanaka T, Okada S , year=2001, title=Novel Rare Earth Boron-Rich Solids, doi=10.1006/jssc.2001.9147, journal=J. Solid State Chem., volume=159, issue=1, page=174, bibcode=2001JSSCh.159..174Z

{{cite journal, vauthors=Zhang FX, Xu FF, Mori T, Liu QL, Sato A, Tanaka T , year=2001, title=Crystal structure of new rare-earth boron-rich solids: REB_28.5C₄, journal=J. Alloys Compd., doi=10.1016/S0925-8388(01)01581-X , volume=329, issue=1–2, page=168

{{cite journal, vauthors=Tanaka T, Sato A, Zhang FX , year=2009, journal=J. Phys.: Conf. Ser., title=Structure refinement of quaternary RE-B-C-Si compounds: Y_3−x(B₁₂)₃(CSi)Si₈ (x ≈ 0.96) and Dy_3−x(B₁₂)₃(CSi)Si₈ (x ≈ 0.90), volume=176, issue=1, page=012015, doi=10.1088/1742-6596/176/1/012015, bibcode=2009JPhCS.176a2015T, doi-access=free

Borides
Crystallography