Materials Data on CsCdInTe3 by Materials Project
CsCdInTe3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are two shorter (3.91 Å) and four longer (4.02 Å) Cs–Te bond lengths. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four InTe4 tetrahedra. There are two shorter (2.86 Å) and two longer (2.89 Å) Cd–Te bond lengths. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four InTe4 tetrahedra. There are two shorter (2.86 Å) and two longer (2.88 Å) Cd–Te bond lengths. In the third Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four CdTe4 tetrahedra and corners with four InTe4 tetrahedra. There are two shorter (2.86 Å) and two longer (2.88 Å) Cd–Te bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with two equivalent InTe4 tetrahedra and corners with four CdTe4 tetrahedra. There are two shorter (2.82 Å) and two longer (2.86 Å) In–Te bond lengths. In the second In3+ site, In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with two equivalent InTe4 tetrahedra and corners with four CdTe4 tetrahedra. There are two shorter (2.82 Å) and two longer (2.86 Å) In–Te bond lengths. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Cs1+, two Cd2+, and one In3+ atom. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, two Cd2+, and one In3+ atom. In the third Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs1+ and two In3+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Cs1+, two Cd2+, and one In3+ atom. In the fifth Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs1+ and two In3+ atoms. In the sixth Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, two Cd2+, and one In3+ 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:
- 1718855
- Report Number(s):
- mp-1195350
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Cs2Cd3Te4 by Materials Project
Materials Data on Cd(InTe2)2 by Materials Project