Materials Data on U17O31 by Materials Project
U17O31 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are seventeen inequivalent U+3.65+ sites. In the first U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.34–2.44 Å. In the second U+3.65+ site, U+3.65+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.28–2.37 Å. In the third U+3.65+ site, U+3.65+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.28–2.39 Å. In the fourth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.35–2.53 Å. In the fifth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.47 Å. In the sixth U+3.65+ site, U+3.65+ is bonded to seven O2- atoms to form distorted edge-sharing UO7 hexagonal pyramids. There are a spread of U–O bond distances ranging from 2.29–2.39 Å. In the seventh U+3.65+ site, U+3.65+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.23–2.36 Å. In the eighth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.32–2.44 Å. In the ninth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.34–2.56 Å. In the tenth U+3.65+ site, U+3.65+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing UO7 hexagonal pyramids. There are a spread of U–O bond distances ranging from 2.28–2.38 Å. In the eleventh U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.45 Å. In the twelfth U+3.65+ site, U+3.65+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing UO7 hexagonal pyramids. There are a spread of U–O bond distances ranging from 2.30–2.38 Å. In the thirteenth U+3.65+ site, U+3.65+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.25–2.33 Å. In the fourteenth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.48 Å. In the fifteenth U+3.65+ site, U+3.65+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.33–2.49 Å. In the sixteenth U+3.65+ site, U+3.65+ is bonded to seven O2- atoms to form distorted edge-sharing UO7 hexagonal pyramids. There are a spread of U–O bond distances ranging from 2.29–2.38 Å. In the seventeenth U+3.65+ site, U+3.65+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.25–2.34 Å. There are thirty-one inequivalent O2- sites. In the first O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra. In the second O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the third O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the sixth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the seventh O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the eighth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra. In the ninth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the tenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the eleventh O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twelfth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the thirteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra. In the fifteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the sixteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the seventeenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the eighteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twentieth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of distorted corner and edge-sharing OU4 tetrahedra. In the twenty-first O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-second O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-third O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-fourth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-fifth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-sixth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-seventh O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-eighth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the twenty-ninth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the thirtieth O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. In the thirty-first O2- site, O2- is bonded to four U+3.65+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra.
- 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:
- 1282459
- Report Number(s):
- mp-674332
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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