Materials Data on SbH2C(O2F3)2 by Materials Project
CSbH2(OF3)2O2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight hydrogen peroxide molecules and eight CSbH2(OF3)2 clusters. In each CSbH2(OF3)2 cluster, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–2.00 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a linear geometry to one O and one F atom. The H–O bond length is 1.06 Å. The H–F bond length is 1.40 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one C and one H atom. In the second O site, O is bonded in a bent 120 degrees geometry to one C and one H atom. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a distorted bent 150 degrees geometry to one Sb and one H atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1664822
- Report Number(s):
- mp-1179607
- Country of Publication:
- United States
- Language:
- English
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