Materials Data on Sr28In11 by Materials Project
Sr28In11 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are fifteen inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted single-bond geometry to three In atoms. There are one shorter (3.39 Å) and two longer (3.95 Å) Sr–In bond lengths. In the second Sr site, Sr is bonded in a trigonal planar geometry to three equivalent In atoms. There are one shorter (3.43 Å) and two longer (3.46 Å) Sr–In bond lengths. In the third Sr site, Sr is bonded to four In atoms to form a mixture of distorted edge and corner-sharing SrIn4 tetrahedra. There are a spread of Sr–In bond distances ranging from 3.45–3.82 Å. In the fourth Sr site, Sr is bonded to four In atoms to form a mixture of distorted edge and corner-sharing SrIn4 tetrahedra. There are a spread of Sr–In bond distances ranging from 3.41–3.71 Å. In the fifth Sr site, Sr is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are one shorter (3.45 Å) and two longer (3.60 Å) Sr–In bond lengths. In the sixth Sr site, Sr is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are one shorter (3.40 Å) and two longer (3.80 Å) Sr–In bond lengths. In the seventh Sr site, Sr is bonded in a distorted trigonal planar geometry to three In atoms. There are one shorter (3.47 Å) and two longer (3.62 Å) Sr–In bond lengths. In the eighth Sr site, Sr is bonded to four In atoms to form a mixture of distorted edge and corner-sharing SrIn4 tetrahedra. There are a spread of Sr–In bond distances ranging from 3.42–3.69 Å. In the ninth Sr site, Sr is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are one shorter (3.43 Å) and two longer (3.52 Å) Sr–In bond lengths. In the tenth Sr site, Sr is bonded to four In atoms to form a mixture of distorted edge and corner-sharing SrIn4 tetrahedra. There are a spread of Sr–In bond distances ranging from 3.38–3.72 Å. In the eleventh Sr site, Sr is bonded in a trigonal planar geometry to three In atoms. All Sr–In bond lengths are 3.48 Å. In the twelfth Sr site, Sr is bonded in a distorted trigonal planar geometry to three In atoms. There are one shorter (3.50 Å) and two longer (3.55 Å) Sr–In bond lengths. In the thirteenth Sr site, Sr is bonded to four In atoms to form a mixture of distorted edge and corner-sharing SrIn4 tetrahedra. There are two shorter (3.37 Å) and two longer (3.72 Å) Sr–In bond lengths. In the fourteenth Sr site, Sr is bonded in a single-bond geometry to one In atom. The Sr–In bond length is 3.39 Å. In the fifteenth Sr site, Sr is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are one shorter (3.41 Å) and two longer (3.70 Å) Sr–In bond lengths. There are six inequivalent In sites. In the first In site, In is bonded in a body-centered cubic geometry to eight Sr atoms. In the second In site, In is bonded in a 9-coordinate geometry to nine Sr atoms. In the third In site, In is bonded in a distorted body-centered cubic geometry to eight Sr atoms. In the fourth In site, In is bonded in a 9-coordinate geometry to nine Sr atoms. In the fifth In site, In is bonded in a 9-coordinate geometry to nine Sr atoms. In the sixth In site, In is bonded in a 7-coordinate geometry to seven Sr atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1285984
- Report Number(s):
- mp-705522
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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