Materials Data on Yb3Sb5O12 by Materials Project
Yb3Sb5O12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are eleven inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the second Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the third Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the fourth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the fifth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the sixth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the seventh Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the eighth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the ninth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the tenth Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. In the eleventh Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.49 Å. There are eighteen inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the fifth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the sixth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the seventh Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the eighth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the ninth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the tenth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the eleventh Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the twelfth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the thirteenth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the fourteenth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the fifteenth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the sixteenth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the seventeenth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. In the eighteenth Sb3+ site, Sb3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.08 Å. O2- is bonded to two Yb3+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing OYb2Sb2 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:
- 1197293
- Report Number(s):
- mp-22019
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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