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Results for “B-Co-Ti”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti3Co5B2 by Materials Project

Ti3Co5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Ti–Co bond lengths are 2.48 Å. In the second Ti site, Ti is bonded in a 1-coordinate geometry to ten Co and three equivalent B atoms. There are a spread of Ti–Co bond distances ranging from 2.58–2.72 Å. There are one shorter (2.45 Å) and two longer (2.53 Å) Ti–B bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to four equivalent Ti and four equivalent B atoms. All Co–B bond lengths are 2.10 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to six Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 9-coordinate geometry to three equivalent Ti and six Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2(Co7B2)3 by Materials Project

Ti2(Co7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.39 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.50 Å. In the second Co site, Co is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing CoTiB3 tetrahedra. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.09 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3(Co10B3)2 by Materials Project

Ti3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Ti–Co bond lengths are 2.54 Å. In the second Ti site, Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.41 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing CoTiB3 tetrahedra. All Co–B bond lengths are 2.10 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

36 MATERIALS SCIENCE↗