Materials Data on Mg2Co3Sn10 by Materials Project

Abstract

Mg2Co3Sn10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are twelve inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are one shorter (3.05 Å) and two longer (3.07 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.04–3.25 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are one shorter (3.05 Å) and two longer (3.11 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.04–3.25 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. All Mg–Co bond lengths are 3.07 Å. There are a spread of Mg–Sn bond distances ranging from 2.99–3.28 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to three Co and ten Sn atoms. There are two shorter (3.06 Å) and one longer (3.07 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.00–3.28 Å. In the fifth Mg site, Mg is bonded in a 11-coordinate geometry to two Co and nine Sn atoms. There are one shorter (2.85 Å) and one longer (2.87 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.03–3.24 Å. In the sixth Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Co and nine Sn atoms. Both Mg–Co bond lengths are 2.88 Å. There are a spread of Mg–Sn bond distances ranging from 3.03–3.22 Å. In the seventh Mg site, Mg is bonded in a 11-coordinate geometry to two Co and nine Sn atoms. Both Mg–Co bond lengths are 2.87 Å. There are a spread of Mg–Sn bond distances ranging from 3.03–3.24 Å. In the eighth Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Co and nine Sn atoms. Both Mg–Co bond lengths are 2.87 Å. There are a spread of Mg–Sn bond distances ranging from 3.04–3.21 Å. In the ninth Mg site, Mg is bonded in a 11-coordinate geometry to two Co and nine Sn atoms. There are one shorter (2.88 Å) and one longer (2.89 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.02–3.23 Å. In the tenth Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Co and nine Sn atoms. Both Mg–Co bond lengths are 2.89 Å. There are a spread of Mg–Sn bond distances ranging from 3.02–3.24 Å. In the eleventh Mg site, Mg is bonded in a 11-coordinate geometry to two Co and nine Sn atoms. There are one shorter (2.88 Å) and one longer (2.89 Å) Mg–Co bond lengths. There are a spread of Mg–Sn bond distances ranging from 3.03–3.23 Å. In the twelfth Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Co and nine Sn atoms. Both Mg–Co bond lengths are 2.90 Å. There are a spread of Mg–Sn bond distances ranging from 3.02–3.23 Å. There are sixteen inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.61–2.82 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.63–2.81 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.61–2.79 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.64–2.78 Å. In the fifth Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.75 Å. In the sixth Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.74 Å. In the seventh Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.75 Å. In the eighth Co site, Co is bonded in a 9-coordinate geometry to three Mg and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.74 Å. In the ninth Co site, Co is bonded to six Sn atoms to form distorted CoSn6 pentagonal pyramids that share a cornercorner with one CoSn7 pentagonal bipyramid, corners with three CoSn6 pentagonal pyramids, and corners with two equivalent CoSn5 trigonal bipyramids. There are a spread of Co–Sn bond distances ranging from 2.57–2.69 Å. In the tenth Co site, Co is bonded to five Sn atoms to form distorted corner-sharing CoSn5 trigonal bipyramids. There are a spread of Co–Sn bond distances ranging from 2.51–2.66 Å. In the eleventh Co site, Co is bonded to six Sn atoms to form distorted CoSn6 pentagonal pyramids that share a cornercorner with one CoSn7 pentagonal bipyramid, corners with three CoSn6 pentagonal pyramids, and an edgeedge with one CoSn7 pentagonal bipyramid. There are a spread of Co–Sn bond distances ranging from 2.53–2.76 Å. In the twelfth Co site, Co is bonded to seven Sn atoms to form a mixture of distorted corner and edge-sharing CoSn7 pentagonal bipyramids. There are a spread of Co–Sn bond distances ranging from 2.60–2.84 Å. In the thirteenth Co site, Co is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.61–2.82 Å. In the fourteenth Co site, Co is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.82 Å. In the fifteenth Co site, Co is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.81 Å. In the sixteenth Co site, Co is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.81 Å. There are fifty-five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the seventh Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the eighth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the ninth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the tenth Sn site, Sn is bonded in a distorted trigonal pyramidal geometry to three Co and one Sn atom. The Sn–Sn bond length is 3.13 Å. In the eleventh Sn site, Sn is bonded in a 3-coordinate geometry to three Co and three Sn atoms. There are one shorter (2.96 Å) and two longer (3.01 Å) Sn–Sn bond lengths. In the twelfth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and four Sn atoms. There are one shorter (2.93 Å) and three longer (3.03 Å) Sn–Sn bond lengths. In the thirteenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.92–3.04 Å. In the fourteenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and one Sn atom. In the fifteenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and one Sn atom. In the sixteenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and one Sn atom. In the seventeenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and one Sn atom. In the eighteenth Sn site, Sn is bonded in a 3-coordinate geometry to three Co and one Sn atom. In the nineteenth Sn site, Sn is bonded in a 2-coordinate geometry to two Co atoms. In the twentieth Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Co atoms. In the twenty-first Sn site, Sn is bonded in a 2-coordinate geometry to two Co atoms. In the twenty-second Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Co atoms. In the twenty-third Sn site, Sn is bonded in a distorted bent 150 degrees geometry to two Co atoms. In the twenty-fourth Sn site, Sn is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. In the twenty-fifth Sn site, Sn is bonded in a distorted bent 150 degrees geometry to two Co atoms. In the twenty-sixth Sn site, Sn is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. In the twenty-seventh Sn site, Sn is bonded in a 7-coordinate geometry to three Mg, three Co, and one Sn atom. In the twenty-eighth Sn site, Sn is bonded in a 7-coordinate geometry to three Mg, three Co, and one Sn atom. In the twenty-ninth Sn site, Sn is bonded in a 7-coordinate geometry to three Mg, three Co, and one Sn atom. In the thirtieth Sn site, Sn is bonded in a 7-coordinate geometry to three Mg, three Co, and one Sn atom. In the thirty-first Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the thirty-second Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the thirty-third Sn site, Sn is bonded in a single-bond geometry to one Mg atom. In the thirty-fourth Sn site, Sn is bonded in a single-bond geometry to one Mg atom. In the thirty-fifth Sn site, Sn is bonded in a distorted single-bond geometry to one Mg atom. In the thirty-sixth Sn site, Sn is bonded in a distorted single-bond geometry to one Mg atom. In the thirty-seventh Sn site, Sn is bonded in a 3-coordinate geometry to three Mg atoms. In the thirty-eighth Sn site, Sn is bonded in a 3-coordinate geometry to three Mg atoms. In the thirty-ninth Sn site, Sn is bonded in a 3-coordinate geometry to three Mg atoms. In the fortieth Sn site, Sn is bonded in a 3-coordinate geometry to three Mg atoms. In the forty-first Sn site, Sn is bonded in a 6-coordinate geometry to four Mg and two Co atoms. In the forty-second Sn site, Sn is bonded in a 6-coordinate geometry to four Mg and two Co atoms. In the forty-third Sn site, Sn is bonded in a 6-coordinate geometry to four Mg and two Co atoms. In the forty-fourth Sn site, Sn is bonded in a 6-coordinate geometry to four Mg and two Co atoms. In the forty-fifth Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.97 Å. In the forty-sixth Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two Co, and one Sn atom. The Sn–Sn bond length is 2.97 Å. In the forty-seventh Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the forty-eighth Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two Co, and one Sn atom. The Sn–Sn bond length is 2.97 Å. In the forty-ninth Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two equivalent Co, and one Sn atom. In the fiftieth Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two Co, and one Sn atom. In the fifty-first Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two equivalent Co, and one Sn atom. In the fifty-second Sn site, Sn is bonded in a 6-coordinate geometry to three Mg, two Co, and one Sn atom. In the fifty-third Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the fifty-fourth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms. In the fifty-fifth Sn site, Sn is bonded in a 2-coordinate geometry to two Mg and two Co atoms.