Materials Data on SbO2 by Materials Project
SbO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Sb sites. In the first Sb site, Sb is bonded to five O atoms to form edge-sharing SbO5 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 1.93–2.04 Å. In the second Sb site, Sb is bonded in a tetrahedral geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 1.89–1.94 Å. In the third Sb site, Sb is bonded in a tetrahedral geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 1.89–1.93 Å. In the fourth Sb site, Sb is bonded in a distorted T-shaped geometry to three O atoms. There is two shorter (1.97 Å) and one longer (1.99 Å) Sb–O bond length. In the fifth Sb site, Sb is bonded in a distorted T-shaped geometry to three O atoms. There is two shorter (1.97 Å) and one longer (1.98 Å) Sb–O bond length. In the sixth Sb site, Sb is bonded to five O atoms to form edge-sharing SbO5 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 1.94–2.04 Å. In the seventh Sb site, Sb is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.27 Å. In the eighth Sb site, Sb is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.26 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a linear geometry to two Sb atoms. In the second O site, O is bonded in a distorted bent 150 degrees geometry to two Sb atoms. In the third O site, O is bonded in a distorted linear geometry to two Sb atoms. In the fourth O site, O is bonded in a water-like geometry to two Sb atoms. In the fifth O site, O is bonded in a water-like geometry to two Sb atoms. In the sixth O site, O is bonded in a linear geometry to two Sb atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to two Sb 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:
- 1319319
- Report Number(s):
- mvc-14911
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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