Materials Data on Cr2S5 by Materials Project
Cr2S5 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Cr2S5 sheet oriented in the (1, 0, 0) direction. there are four inequivalent Cr5+ sites. In the first Cr5+ site, Cr5+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing CrS5 trigonal bipyramids. There are a spread of Cr–S bond distances ranging from 1.99–2.34 Å. In the second Cr5+ site, Cr5+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing CrS5 trigonal bipyramids. There are a spread of Cr–S bond distances ranging from 1.99–2.33 Å. In the third Cr5+ site, Cr5+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing CrS5 trigonal bipyramids. There are a spread of Cr–S bond distances ranging from 1.99–2.33 Å. In the fourth Cr5+ site, Cr5+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing CrS5 trigonal bipyramids. There are a spread of Cr–S bond distances ranging from 1.99–2.33 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Cr5+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Cr5+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Cr5+ atoms. In the fourth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Cr5+ atoms. In the fifth S2- site, S2- is bonded in a single-bond geometry to one Cr5+ atom. In the sixth S2- site, S2- is bonded in a single-bond geometry to one Cr5+ atom. In the seventh S2- site, S2- is bonded in a single-bond geometry to one Cr5+ atom. In the eighth S2- site, S2- is bonded in a distorted bent 150 degrees geometry to two Cr5+ atoms. In the ninth S2- site, S2- is bonded in a distorted bent 150 degrees geometry to two Cr5+ atoms. In the tenth S2- site, S2- is bonded in a single-bond geometry to one Cr5+ atom.