Materials Data on La4Pr(CoP)10 by Materials Project

Abstract

PrLa4(CoP)10 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Pr–P bond lengths are 3.12 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight P3- atoms. There are four shorter (3.14 Å) and four longer (3.15 Å) La–P bond lengths. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight P3- atoms. There are four shorter (3.13 Å) and four longer (3.14 Å) La–P bond lengths. There are three inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing CoP4 tetrahedra. There are two shorter (2.22 Å) and two longer (2.23 Å) Co–P bond lengths. In the second Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.22 Å. In the third Co+1.50+ site, Co+1.50+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.22 Å. There are five inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Co+1.50+ atoms. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Co+1.50+ atoms. In the third P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Co+1.50+ atoms. In the fourth P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Co+1.50+ atoms. In the fifth P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Co+1.50+ atoms.