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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Th2(CoP)3 by Materials Project

Th2(CoP)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Th2(CoP)3 ribbon oriented in the (0, 0, 1) direction. Th is bonded in a linear geometry to one Co and one P atom. The Th–Co bond length is 2.07 Å. The Th–P bond length is 2.56 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a linear geometry to one Th and one P atom. The Co–P bond length is 2.13 Å. In the second Co site, Co is bonded in a linear geometry to two equivalent P atoms. Both Co–P bond lengths are 2.16 Å. There are two inequivalent P sites. In the first P site, P is bonded in a linear geometry to one Th and one Co atom. In the second P site, P is bonded in a linear geometry to two equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(CoP)2 by Materials Project

Th(CoP)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (3.03 Å) and four longer (3.05 Å) Th–P bond lengths. There are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.34 Å. In the second Co1+ site, Co1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.25 Å) and one longer (2.35 Å) Co–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent Th4+ and four equivalent Co1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Th4+ and five Co1+ atoms.

36 MATERIALS SCIENCE↗