Materials Data on Sm5(Mo3Se4)12 by Materials Project
Sm5(Mo3Se4)12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Sm sites. In the first Sm site, Sm is bonded in a body-centered cubic geometry to eight Se atoms. There are a spread of Sm–Se bond distances ranging from 2.87–3.14 Å. In the second Sm site, Sm is bonded in a body-centered cubic geometry to eight Se atoms. There are a spread of Sm–Se bond distances ranging from 2.87–3.13 Å. In the third Sm site, Sm is bonded in a body-centered cubic geometry to eight Se atoms. There are a spread of Sm–Se bond distances ranging from 2.87–3.13 Å. In the fourth Sm site, Sm is bonded in a body-centered cubic geometry to eight Se atoms. There are a spread of Sm–Se bond distances ranging from 2.87–3.13 Å. In the fifth Sm site, Sm is bonded in a body-centered cubic geometry to eight Se atoms. There are a spread of Sm–Se bond distances ranging from 2.87–3.13 Å. In the sixth Sm site, Sm is bonded in a body-centered cubic geometry to eight Se atoms. There are a spread of Sm–Se bond distances ranging from 2.87–3.13 Å. There are thirty-six inequivalent Mo sites. In the first Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.75 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to five Se atoms. There are a spread of Mo–Se bond distances ranging from 2.55–2.77 Å. In the third Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.52–2.74 Å. In the fourth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.52–2.76 Å. In the fifth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the sixth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the seventh Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the eighth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the ninth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the tenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the eleventh Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.77 Å. In the twelfth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the thirteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.76 Å. In the fourteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.75 Å. In the fifteenth Mo site, Mo is bonded in a 5-coordinate geometry to five Se atoms. There are a spread of Mo–Se bond distances ranging from 2.55–2.77 Å. In the sixteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.77 Å. In the seventeenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the eighteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the nineteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.75 Å. In the twentieth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the twenty-first Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.52–2.76 Å. In the twenty-second Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the twenty-third Mo site, Mo is bonded in a 5-coordinate geometry to five Se atoms. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the twenty-fourth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the twenty-fifth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the twenty-sixth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the twenty-seventh Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the twenty-eighth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the twenty-ninth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the thirtieth Mo site, Mo is bonded in a 5-coordinate geometry to five Se atoms. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the thirty-first Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the thirty-second Mo site, Mo is bonded in a 5-coordinate geometry to five Se atoms. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the thirty-third Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.77 Å. In the thirty-fourth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the thirty-fifth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.75 Å. In the thirty-sixth Mo site, Mo is bonded in a 5-coordinate geometry to five Se atoms. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. There are thirty-nine inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the second Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the third Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the fourth Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the fifth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the sixth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the seventh Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the eighth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the ninth Se site, Se is bonded in a 3-coordinate geometry to three Mo atoms. In the tenth Se site, Se is bonded in a 1-coordinate geometry to one Sm and three Mo atoms. In the eleventh Se site, Se is bonded in a 3-coordinate geometry to three Mo atoms. In the twelfth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the thirteenth Se site, Se is bonded in a 1-coordinate geometry to one Sm and three Mo atoms. In the fourteenth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the fifteenth Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the sixteenth Se site, Se is bonded in a 1-coordinate geometry to one Sm and three Mo atoms. In the seventeenth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the eighteenth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the nineteenth Se site, Se is bonded in a 1-coordinate geometry to one Sm and three Mo atoms. In the twentieth Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the twenty-first Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the twenty-second Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the twenty-third Se site, Se is bonded in a 1-coordinate geometry to one Sm and three Mo atoms. In the twenty-fourth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the twenty-fifth Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the twenty-sixth Se site, Se is bonded in a 1-coordinate geometry to one Sm and three Mo atoms. In the twenty-seventh Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the twenty-eighth Se site, Se is bonded in a 1-coordinate geometry to one Sm and three Mo atoms. In the twenty-ninth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the thirtieth Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the thirty-first Se site, Se is bonded in a 1-coordinate geometry to one Sm and three Mo atoms. In the thirty-second Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the thirty-third Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the thirty-fourth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the thirty-fifth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the thirty-sixth Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the thirty-seventh Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the thirty-eighth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo atoms. In the thirty-ninth Se site, Se is bonded in a 5-coordinate geometry to one Sm and four Mo 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:
- 1284146
- Report Number(s):
- mp-685296
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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