Materials Data on LiH20C8ClO4 by Materials Project
LiC8H20O4Cl is High Pressure Cadmuum Telluride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four LiC8H20O4Cl clusters. Li1+ is bonded to four O2- and one Cl1- atom to form LiClO4 trigonal bipyramids that share corners with four CH3O tetrahedra. There are two shorter (2.12 Å) and two longer (2.14 Å) Li–O bond lengths. The Li–Cl bond length is 2.42 Å. There are four inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded to three H1+ and one O2- atom to form CH3O tetrahedra that share a cornercorner with one LiClO4 trigonal bipyramid. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.43 Å. In the second C+1.50- site, C+1.50- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. There is one shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. The C–O bond length is 1.44 Å. In the third C+1.50- site, C+1.50- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.11 Å. The C–O bond length is 1.44 Å. In the fourth C+1.50- site, C+1.50- is bonded to three H1+ and one O2- atom to form CH3O tetrahedra that share a cornercorner with one LiClO4 trigonal bipyramid. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.44 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+1.50- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+1.50- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+1.50- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.50- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.50- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.50- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+1.50- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.50- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.50- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+1.50- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two C+1.50- atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Li1+ and two C+1.50- atoms. Cl1- is bonded in a single-bond geometry to one Li1+ atom.
- 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:
- 1287885
- Report Number(s):
- mp-738610
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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