Materials Data on Sr10In17Au27 by Materials Project

Abstract

Sr10Au27In17 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are ten inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine Au and seven In atoms. There are a spread of Sr–Au bond distances ranging from 3.36–3.52 Å. There are a spread of Sr–In bond distances ranging from 3.64–3.84 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to eight Au and eight In atoms. There are a spread of Sr–Au bond distances ranging from 3.36–3.52 Å. There are a spread of Sr–In bond distances ranging from 3.67–3.83 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to nine Au and six In atoms. There are a spread of Sr–Au bond distances ranging from 3.32–3.74 Å. There are a spread of Sr–In bond distances ranging from 3.63–3.83 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to nine Au and six In atoms. There are a spread of Sr–Au bond distances ranging from 3.34–3.75 Å. There are a spread of Sr–In bond distances ranging from 3.63–3.86 Å. In the fifth Sr site, Sr is bonded in a 7-coordinate geometry to nine Au atoms. There are a spread of Sr–Au bond distances ranging from 3.32–3.72 Å. In the sixth Sr site, Sr is bonded in a 12-coordinate geometry to eleven Au and four In atoms. There are a spread of Sr–Au bond distances ranging from 3.34–3.71 Å. There are a spread of Sr–In bond distances ranging from 3.54–3.87 Å. In the seventh Sr site, Sr is bonded in a 12-coordinate geometry to nine Au and four In atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.48 Å. There are a spread of Sr–In bond distances ranging from 3.53–3.63 Å. In the eighth Sr site, Sr is bonded in a 12-coordinate geometry to nine Au and four In atoms. There are a spread of Sr–Au bond distances ranging from 3.29–3.54 Å. There are a spread of Sr–In bond distances ranging from 3.52–3.66 Å. In the ninth Sr site, Sr is bonded in a 12-coordinate geometry to nine Au and four In atoms. There are a spread of Sr–Au bond distances ranging from 3.29–3.53 Å. There are a spread of Sr–In bond distances ranging from 3.54–3.64 Å. In the tenth Sr site, Sr is bonded in a 12-coordinate geometry to nine Au and four In atoms. There are a spread of Sr–Au bond distances ranging from 3.29–3.50 Å. There are a spread of Sr–In bond distances ranging from 3.53–3.65 Å. There are twenty-seven inequivalent Au sites. In the first Au site, Au is bonded in a 10-coordinate geometry to three Sr, three Au, and four In atoms. There are one shorter (2.84 Å) and two longer (2.88 Å) Au–Au bond lengths. There are a spread of Au–In bond distances ranging from 2.87–2.92 Å. In the second Au site, Au is bonded in a 10-coordinate geometry to three Sr, two equivalent Au, and five In atoms. Both Au–Au bond lengths are 2.92 Å. There are a spread of Au–In bond distances ranging from 2.84–2.95 Å. In the third Au site, Au is bonded in a 10-coordinate geometry to three Sr, two equivalent Au, and five In atoms. Both Au–Au bond lengths are 2.89 Å. There are a spread of Au–In bond distances ranging from 2.84–2.92 Å. In the fourth Au site, Au is bonded in a 10-coordinate geometry to three Sr, two equivalent Au, and five In atoms. Both Au–Au bond lengths are 2.90 Å. There are a spread of Au–In bond distances ranging from 2.84–2.93 Å. In the fifth Au site, Au is bonded in a 7-coordinate geometry to five Sr, two equivalent Au, and two In atoms. Both Au–Au bond lengths are 2.90 Å. There are one shorter (2.76 Å) and one longer (2.89 Å) Au–In bond lengths. In the sixth Au site, Au is bonded in a 7-coordinate geometry to five Sr, two equivalent Au, and two In atoms. Both Au–Au bond lengths are 2.91 Å. There are one shorter (2.76 Å) and one longer (2.89 Å) Au–In bond lengths. In the seventh Au site, Au is bonded in a 7-coordinate geometry to five Sr, two equivalent Au, and two In atoms. Both Au–Au bond lengths are 2.90 Å. There are one shorter (2.77 Å) and one longer (2.90 Å) Au–In bond lengths. In the eighth Au site, Au is bonded in a 7-coordinate geometry to five Sr, two equivalent Au, and two In atoms. Both Au–Au bond lengths are 2.90 Å. There are one shorter (2.76 Å) and one longer (2.88 Å) Au–In bond lengths. In the ninth Au site, Au is bonded in a 7-coordinate geometry to three Sr and four In atoms. There are a spread of Au–In bond distances ranging from 2.80–2.95 Å. In the tenth Au site, Au is bonded in a 7-coordinate geometry to three Sr, two equivalent Au, and four In atoms. Both Au–Au bond lengths are 2.91 Å. There are one shorter (2.80 Å) and three longer (2.93 Å) Au–In bond lengths. In the eleventh Au site, Au is bonded in a 7-coordinate geometry to three Sr, two equivalent Au, and four In atoms. Both Au–Au bond lengths are 2.91 Å. There are a spread of Au–In bond distances ranging from 2.82–2.98 Å. In the twelfth Au site, Au is bonded in a 7-coordinate geometry to three Sr, two equivalent Au, and four In atoms. Both Au–Au bond lengths are 2.93 Å. There are a spread of Au–In bond distances ranging from 2.85–2.97 Å. In the thirteenth Au site, Au is bonded in a 3-coordinate geometry to three Sr, four Au, and three In atoms. There are one shorter (2.88 Å) and one longer (3.24 Å) Au–Au bond lengths. There are two shorter (2.91 Å) and one longer (2.92 Å) Au–In bond lengths. In the fourteenth Au site, Au is bonded in a 1-coordinate geometry to three Sr, three Au, and four In atoms. There are a spread of Au–In bond distances ranging from 2.76–2.96 Å. In the fifteenth Au site, Au is bonded in a 1-coordinate geometry to three Sr, three Au, and four In atoms. The Au–Au bond length is 3.28 Å. There are a spread of Au–In bond distances ranging from 2.78–2.94 Å. In the sixteenth Au site, Au is bonded in a 1-coordinate geometry to three Sr, one Au, and four In atoms. There are a spread of Au–In bond distances ranging from 2.77–2.94 Å. In the seventeenth Au site, Au is bonded in a 6-coordinate geometry to four Sr, two equivalent Au, and two equivalent In atoms. Both Au–In bond lengths are 2.94 Å. In the eighteenth Au site, Au is bonded in a 6-coordinate geometry to four Sr, two equivalent Au, and two equivalent In atoms. Both Au–In bond lengths are 2.94 Å. In the nineteenth Au site, Au is bonded in a 6-coordinate geometry to four Sr, two equivalent Au, and two equivalent In atoms. Both Au–In bond lengths are 2.95 Å. In the twentieth Au site, Au is bonded in a 8-coordinate geometry to four Sr, two equivalent Au, and two equivalent In atoms. Both Au–In bond lengths are 2.94 Å. In the twenty-first Au site, Au is bonded in a 9-coordinate geometry to two equivalent Sr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.93–2.98 Å. In the twenty-second Au site, Au is bonded in a 9-coordinate geometry to two equivalent Sr, two equivalent Au, and five In atoms. Both Au–Au bond lengths are 2.94 Å. There are a spread of Au–In bond distances ranging from 2.86–2.98 Å. In the twenty-third Au site, Au is bonded in a 9-coordinate geometry to three Sr, two equivalent Au, and four In atoms. There are a spread of Au–In bond distances ranging from 2.88–3.16 Å. In the twenty-fourth Au site, Au is bonded in a 9-coordinate geometry to three Sr, two equivalent Au, and four In atoms. There are a spread of Au–In bond distances ranging from 2.87–3.16 Å. In the twenty-fifth Au site, Au is bonded in a 9-coordinate geometry to three Sr, two equivalent Au, and four In atoms. There are a spread of Au–In bond distances ranging from 2.88–3.18 Å. In the twenty-sixth Au site, Au is bonded in a 9-coordinate geometry to three Sr, two equivalent Au, and four In atoms. There are a spread of Au–In bond distances ranging from 2.88–3.21 Å. In the twenty-seventh Au site, Au is bonded in a 10-coordinate geometry to three Sr, four Au, and three In atoms. There are one shorter (2.96 Å) and two longer (3.17 Å) Au–In bond lengths. There are seventeen inequivalent In sites. In the first In site, In is bonded in a 7-coordinate geometry to two Sr and seven Au atoms. In the second In site, In is bonded in a 7-coordinate geometry to two Sr and seven Au atoms. In the third In site, In is bonded in a 7-coordinate geometry to two Sr and seven Au atoms. In the fourth In site, In is bonded in a 7-coordinate geometry to two Sr and seven Au atoms. In the fifth In site, In is bonded in a 7-coordinate geometry to two Sr and seven Au atoms. In the sixth In site, In is bonded in a 7-coordinate geometry to one Sr and seven Au atoms. In the seventh In site, In is bonded in a 12-coordinate geometry to five Sr and five Au atoms. In the eighth In site, In is bonded in a 12-coordinate geometry to three Sr and five Au atoms. In the ninth In site, In is bonded in a 5-coordinate geometry to five Sr and five Au atoms. In the tenth In site, In is bonded in a 5-coordinate geometry to five Sr and five Au atoms. In the eleventh In site, In is bonded in a 4-coordinate geometry to three Sr and five Au atoms. In the twelfth In site, In is bonded in a 4-coordinate geometry to three Sr and five Au atoms. In the thirteenth In site, In is bonded in a 4-coordinate geometry to two equivalent Sr and five Au atoms. In the fourteenth In site, In is bonded in a 4-coordinate geometry to three Sr and seven Au atoms. In the fifteenth In site, In is bonded in a 5-coordinate geometry to one Sr and five Au atoms. In the sixteenth In site, In is bonded to three Sr and four Au atoms to form a mixture of distorted edge, face, and corner-sharing InSr3Au4 tetrahedra. In the seventeenth In site, In is bonded to three Sr and four Au atoms to form a mixture of distorted edge, face, and corner-sharing InSr3Au4 tetrahedra.