Materials Data on POs6C18ClO18 by Materials Project
Os6C18PO18Cl is alpha U structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Os6C18PO18Cl clusters. there are six inequivalent Os+1.33- sites. In the first Os+1.33- site, Os+1.33- is bonded in a 4-coordinate geometry to three C+2.22+ and one P5+ atom. All Os–C bond lengths are 1.91 Å. The Os–P bond length is 2.33 Å. In the second Os+1.33- site, Os+1.33- is bonded in a 3-coordinate geometry to three C+2.22+ and one P5+ atom. All Os–C bond lengths are 1.91 Å. The Os–P bond length is 2.37 Å. In the third Os+1.33- site, Os+1.33- is bonded in a 3-coordinate geometry to three C+2.22+ and one P5+ atom. There is one shorter (1.90 Å) and two longer (1.91 Å) Os–C bond length. The Os–P bond length is 2.32 Å. In the fourth Os+1.33- site, Os+1.33- is bonded in a 4-coordinate geometry to three C+2.22+, one P5+, and one Cl1- atom. There are a spread of Os–C bond distances ranging from 1.89–1.94 Å. The Os–P bond length is 2.48 Å. The Os–Cl bond length is 2.53 Å. In the fifth Os+1.33- site, Os+1.33- is bonded in a 3-coordinate geometry to three C+2.22+ and one P5+ atom. All Os–C bond lengths are 1.91 Å. The Os–P bond length is 2.35 Å. In the sixth Os+1.33- site, Os+1.33- is bonded in a 4-coordinate geometry to three C+2.22+, one P5+, and one Cl1- atom. There is one shorter (1.89 Å) and two longer (1.92 Å) Os–C bond length. The Os–P bond length is 2.48 Å. The Os–Cl bond length is 2.52 Å. There are eighteen inequivalent C+2.22+ sites. In the first C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.17 Å. In the fifth C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the twelfth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the thirteenth C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the fourteenth C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the fifteenth C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the sixteenth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.17 Å. In the seventeenth C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the eighteenth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. P5+ is bonded in a 6-coordinate geometry to six Os+1.33- atoms. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the seventeenth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the eighteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. Cl1- is bonded in an L-shaped geometry to two Os+1.33- 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:
- 1281181
- Report Number(s):
- mp-652744
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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