DOI: 10.17188/1719910
title: Materials Data on Sm30(P4Ir5)13 by Materials Project

description: Sm30(Ir5P4)13 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are thirty inequivalent Sm sites. In the first Sm site, Sm is bonded in a 1-coordinate geometry to seven Ir and seven P atoms. There are a spread of Sm–Ir bond distances ranging from 3.24–3.32 Å. There are a spread of Sm–P bond distances ranging from 2.87–3.33 Å. In the second Sm site, Sm is bonded in a 1-coordinate geometry to seven Ir and seven P atoms. There are a spread of Sm–Ir bond distances ranging from 3.24–3.32 Å. There are a spread of Sm–P bond distances ranging from 2.87–3.33 Å. In the third Sm site, Sm is bonded in a 1-coordinate geometry to seven Ir and seven P atoms. There are a spread of Sm–Ir bond distances ranging from 3.24–3.30 Å. There are a spread of Sm–P bond distances ranging from 2.89–3.31 Å. In the fourth Sm site, Sm is bonded in a 1-coordinate geometry to seven Ir and seven P atoms. There are a spread of Sm–Ir bond distances ranging from 3.24–3.32 Å. There are a spread of Sm–P bond distances ranging from 2.87–3.33 Å. In the fifth Sm site, Sm is bonded in a 11-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 2.99–3.34 Å. There are a spread of Sm–P bond distances ranging from 2.98–3.13 Å. In the sixth Sm site, Sm is bonded in a 11-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 2.99–3.38 Å. There are a spread of Sm–P bond distances ranging from 2.97–3.12 Å. In the seventh Sm site, Sm is bonded in a 11-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 2.99–3.38 Å. There are a spread of Sm–P bond distances ranging from 2.97–3.12 Å. In the eighth Sm site, Sm is bonded in a 2-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.13–3.39 Å. There are a spread of Sm–P bond distances ranging from 2.96–3.15 Å. In the ninth Sm site, Sm is bonded in a 6-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.12–3.29 Å. There are a spread of Sm–P bond distances ranging from 3.03–3.08 Å. In the tenth Sm site, Sm is bonded in a 6-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.12–3.30 Å. There are a spread of Sm–P bond distances ranging from 3.03–3.08 Å. In the eleventh Sm site, Sm is bonded in a 6-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.12–3.29 Å. There are a spread of Sm–P bond distances ranging from 3.02–3.08 Å. In the twelfth Sm site, Sm is bonded in a 6-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.12–3.30 Å. There are a spread of Sm–P bond distances ranging from 3.03–3.08 Å. In the thirteenth Sm site, Sm is bonded in a 12-coordinate geometry to ten Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.05–3.54 Å. There are a spread of Sm–P bond distances ranging from 3.02–3.16 Å. In the fourteenth Sm site, Sm is bonded in a 12-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.05–3.28 Å. There are a spread of Sm–P bond distances ranging from 3.03–3.16 Å. In the fifteenth Sm site, Sm is bonded in a 10-coordinate geometry to eight Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.03–3.51 Å. There are a spread of Sm–P bond distances ranging from 3.02–3.14 Å. In the sixteenth Sm site, Sm is bonded in a 12-coordinate geometry to ten Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.05–3.55 Å. There are a spread of Sm–P bond distances ranging from 3.02–3.16 Å. In the seventeenth Sm site, Sm is bonded in a 1-coordinate geometry to four Ir and seven P atoms. There are a spread of Sm–Ir bond distances ranging from 3.07–3.36 Å. There are a spread of Sm–P bond distances ranging from 2.82–3.44 Å. In the eighteenth Sm site, Sm is bonded in a 1-coordinate geometry to four Ir and seven P atoms. There are a spread of Sm–Ir bond distances ranging from 3.07–3.36 Å. There are a spread of Sm–P bond distances ranging from 2.81–3.43 Å. In the nineteenth Sm site, Sm is bonded in a 1-coordinate geometry to four Ir and seven P atoms. There are a spread of Sm–Ir bond distances ranging from 3.08–3.36 Å. There are a spread of Sm–P bond distances ranging from 2.81–3.44 Å. In the twentieth Sm site, Sm is bonded in a 1-coordinate geometry to four Ir and seven P atoms. There are a spread of Sm–Ir bond distances ranging from 3.07–3.36 Å. There are a spread of Sm–P bond distances ranging from 2.81–3.43 Å. In the twenty-first Sm site, Sm is bonded in a 2-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.12–3.33 Å. There are a spread of Sm–P bond distances ranging from 2.92–3.13 Å. In the twenty-second Sm site, Sm is bonded in a 2-coordinate geometry to ten Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.10–3.34 Å. There are a spread of Sm–P bond distances ranging from 2.89–3.13 Å. In the twenty-third Sm site, Sm is bonded in a 2-coordinate geometry to ten Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.10–3.34 Å. There are a spread of Sm–P bond distances ranging from 2.88–3.13 Å. In the twenty-fourth Sm site, Sm is bonded in a 2-coordinate geometry to ten Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.10–3.34 Å. There are a spread of Sm–P bond distances ranging from 2.89–3.13 Å. In the twenty-fifth Sm site, Sm is bonded in a 12-coordinate geometry to ten Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.01–3.46 Å. There are two shorter (2.95 Å) and four longer (3.12 Å) Sm–P bond lengths. In the twenty-sixth Sm site, Sm is bonded in a 12-coordinate geometry to eight Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.03–3.47 Å. There are a spread of Sm–P bond distances ranging from 2.93–3.13 Å. In the twenty-seventh Sm site, Sm is bonded in a 8-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.03–3.30 Å. There are a spread of Sm–P bond distances ranging from 2.96–3.10 Å. In the twenty-eighth Sm site, Sm is bonded in a 8-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.04–3.28 Å. There are a spread of Sm–P bond distances ranging from 2.94–3.08 Å. In the twenty-ninth Sm site, Sm is bonded in a 8-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.05–3.28 Å. There are a spread of Sm–P bond distances ranging from 2.94–3.08 Å. In the thirtieth Sm site, Sm is bonded in a 8-coordinate geometry to nine Ir and six P atoms. There are a spread of Sm–Ir bond distances ranging from 3.05–3.28 Å. There are a spread of Sm–P bond distances ranging from 2.95–3.08 Å. There are sixty-five inequivalent Ir sites. In the first Ir site, Ir is bonded in a 4-coordinate geometry to four Sm, two equivalent Ir, and four P atoms. Both Ir–Ir bond lengths are 2.81 Å. There are a spread of Ir–P bond distances ranging from 2.33–2.40 Å. In the second Ir site, Ir is bonded in a 4-coordinate geometry to four Sm, two equivalent Ir, and four P atoms. Both Ir–Ir bond lengths are 2.81 Å. There are a spread of Ir–P bond distances ranging from 2.33–2.38 Å. In the third Ir site, Ir is bonded in a 4-coordinate geometry to four Sm, two equivalent Ir, and four P atoms. Both Ir–Ir bond lengths are 2.81 Å. There are a spread of Ir–P bond distances ranging from 2.33–2.38 Å. In the fourth Ir site, Ir is bonded in a 4-coordinate geometry to four Sm, two equivalent Ir, and four P atoms. Both Ir–Ir bond lengths are 2.81 Å. There are a spread of Ir–P bond distances ranging from 2.33–2.38 Å. In the fifth Ir site, Ir is bonded in a 9-coordinate geometry to six Sm and three P atoms. There are a spread of Ir–P bond distances ranging from 2.31–2.39 Å. In the sixth Ir site, Ir is bonded in a 9-coordinate geometry to six Sm and three P atoms. There are a spread of Ir–P bond distances ranging from 2.28–2.41 Å. In the seventh Ir site, Ir is bonded in a 9-coordinate geometry to six Sm and three P atoms. There are a spread of Ir–P bond distances ranging from 2.28–2.41 Å. In the eighth Ir site, Ir is bonded in a 9-coordinate geometry to six Sm and three P atoms. There are a spread of Ir–P bond distances ranging from 2.28–2.41 Å. In the ninth Ir site, Ir is bonded in a 12-coordinate geometry to four Sm, four Ir, and four P atoms. There are two shorter (2.84 Å) and two longer (2.87 Å) Ir–Ir bond lengths. There are a spread of Ir–P bond distances ranging from 2.37–2.54 Å. In the tenth Ir site, Ir is bonded in a 12-coordinate geometry to four Sm, four Ir, and four P atoms. There are two shorter (2.85 Å) and two longer (2.87 Å) Ir–Ir bond lengths. There are a spread of Ir–P bond distances ranging from 2.37–2.54 Å. In the eleventh Ir site, Ir is bonded in a 12-coordinate geometry to four Sm, four Ir, and four P atoms. There are two shorter (2.85 Å) and two longer (2.88 Å) Ir–Ir bond lengths. There are a spread of Ir–P bond distances ranging from 2.36–2.51 Å. In the twelfth Ir site, Ir is bonded in a 12-coordinate geometry to four Sm, four Ir, and four P atoms. There are two shorter (2.84 Å) and two longer (2.87 Å) Ir–Ir bond lengths. There are a spread of Ir–P bond distances ranging from 2.37–2.54 Å. In the thirteenth Ir site, Ir is bonded to three Sm, five Ir, and four P atoms to form distorted IrSm3P4Ir5 cuboctahedra that share corners with six IrSm3P4Ir5 cuboctahedra, an edgeedge with one IrSm3P4Ir5 cuboctahedra, and faces with four IrSm4P4Ir4 cuboctahedra. There are two shorter (2.78 Å) and three longer (2.80 Å) Ir–Ir bond lengths. There are a spread of Ir–P bond distances ranging from 2.29–2.63 Å. In the fourteenth Ir site, Ir is bonded in a 12-coordinate geometry to three Sm, five Ir, and four P atoms. There are a spread of Ir–Ir bond distances ranging from 2.79–2.81 Å. There are a spread of Ir–P bond distances ranging from 2.29–2.61 Å. In the fifteenth Ir site, Ir is bonded in a 10-coordinate geometry to three Sm, three Ir, and four P atoms. There are one shorter (2.71 Å) and two longer (2.80 Å) Ir–Ir bond lengths. There are a spread of Ir–P bond distances ranging from 2.30–2.61 Å. In the sixteenth Ir site, Ir is bonded to three Sm, five Ir, and four P atoms to form distorted IrSm3P4Ir5 cuboctahedra that share corners with six IrSm4P4Ir4 cuboctahedra, an edgeedge with one IrSm3P4Ir5 cuboctahedra, and faces with four IrSm4P4Ir4 cuboctahedra. There are two shorter (2.79 Å) and three longer (2.80 Å) Ir–Ir bond lengths. There are a spread of Ir–P bond distances ranging from 2.29–2.62 Å. In the seventeenth Ir site, Ir is bonded in a 12-coordinate geometry to four Sm, four Ir, and four P atoms. Both Ir–Ir bond lengths are 2.87 Å. There are a spread of Ir–P bond distances ranging from 2.38–2.52 Å. In the eighteenth Ir site, Ir is bonded in a 12-coordinate geometry to four Sm, four Ir, and four P atoms. Both Ir–Ir bond lengths are 2.90 Å. There are a spread of Ir–P bond distances ranging from 2.38–2.49 Å. In the nineteenth Ir site, Ir is bonded in a 12-coordinate geometry to four Sm, four Ir, and four P atoms. Both Ir–Ir bond lengths are 2.90 Å. There are a spread of Ir–P bond distances ranging from 2.38–2.48 Å. In the twentieth Ir site, Ir is bonded in a 12-coordinate geometry to four Sm, four Ir, and four P atoms. Both Ir–Ir bond lengths are 2.90 Å. There are a spread of Ir–P bond distances ranging from 2.38–2.49 Å. In the twenty-first Ir site, Ir is bonded to four Sm, four Ir, and four P atoms to form a mixture of distorted face and corner-sharing IrSm4P4Ir4 cuboctahedra. Both Ir–Ir bond lengths are 2.79 Å. There are a sp