Materials Data on Cd4CoS5 by Materials Project
CoCd4S5 is Enargite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four S2- atoms to form CoS4 tetrahedra that share corners with four CoS4 tetrahedra and corners with eight CdS4 tetrahedra. There are a spread of Co–S bond distances ranging from 2.30–2.41 Å. In the second Co2+ site, Co2+ is bonded to four S2- atoms to form CoS4 tetrahedra that share corners with four CoS4 tetrahedra and corners with eight CdS4 tetrahedra. There are a spread of Co–S bond distances ranging from 2.30–2.39 Å. There are eight inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share a cornercorner with one CoS4 tetrahedra and corners with eleven CdS4 tetrahedra. There are three shorter (2.54 Å) and one longer (2.55 Å) Cd–S bond lengths. In the second Cd2+ site, Cd2+ is bonded to four S2- atoms to form corner-sharing CdS4 tetrahedra. There are three shorter (2.53 Å) and one longer (2.55 Å) Cd–S bond lengths. In the third Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with two equivalent CoS4 tetrahedra and corners with ten CdS4 tetrahedra. There are one shorter (2.53 Å) and three longer (2.56 Å) Cd–S bond lengths. In the fourth Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with five CoS4 tetrahedra and corners with seven CdS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.56–2.60 Å. In the fifth Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with four CoS4 tetrahedra and corners with eight CdS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.54–2.59 Å. In the sixth Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with two equivalent CoS4 tetrahedra and corners with ten CdS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.55–2.58 Å. In the seventh Cd2+ site, Cd2+ is bonded to four S2- atoms to form corner-sharing CdS4 tetrahedra. There are three shorter (2.56 Å) and one longer (2.59 Å) Cd–S bond lengths. In the eighth Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with two equivalent CoS4 tetrahedra and corners with ten CdS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.55–2.60 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded to one Co2+ and three Cd2+ atoms to form corner-sharing SCd3Co tetrahedra. In the second S2- site, S2- is bonded to four Cd2+ atoms to form corner-sharing SCd4 tetrahedra. In the third S2- site, S2- is bonded to four Cd2+ atoms to form corner-sharing SCd4 tetrahedra. In the fourth S2- site, S2- is bonded to two equivalent Co2+ and two Cd2+ atoms to form corner-sharing SCd2Co2 tetrahedra. In the fifth S2- site, S2- is bonded to three Co2+ and one Cd2+ atom to form corner-sharing SCdCo3 tetrahedra. In the sixth S2- site, S2- is bonded to four Cd2+ atoms to form corner-sharing SCd4 tetrahedra. In the seventh S2- site, S2- is bonded to four Cd2+ atoms to form corner-sharing SCd4 tetrahedra. In the eighth S2- site, S2- is bonded to one Co2+ and three Cd2+ atoms to form corner-sharing SCd3Co tetrahedra. In the ninth S2- site, S2- is bonded to one Co2+ and three Cd2+ atoms to form corner-sharing SCd3Co tetrahedra. In the tenth S2- site, S2- is bonded to four Cd2+ atoms to form corner-sharing SCd4 tetrahedra.