DOI: 10.17188/1284194
title: Materials Data on K7(Mo9S11)4 by Materials Project

description: K7(Mo9S11)4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are seven inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of K–S bond distances ranging from 3.02–3.45 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of K–S bond distances ranging from 3.02–3.45 Å. In the third K site, K is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of K–S bond distances ranging from 3.09–3.47 Å. In the fourth K site, K is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of K–S bond distances ranging from 3.02–3.45 Å. In the fifth K site, K is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of K–S bond distances ranging from 3.02–3.45 Å. In the sixth K site, K is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of K–S bond distances ranging from 3.02–3.45 Å. In the seventh K site, K is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of K–S bond distances ranging from 3.02–3.45 Å. There are thirty-six inequivalent Mo sites. In the first Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.62 Å. In the second Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.39–2.63 Å. In the third Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.45–2.48 Å. In the fourth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.62 Å. In the fifth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.63 Å. In the sixth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.63 Å. In the seventh Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.62 Å. In the eighth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.39–2.64 Å. In the ninth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.45–2.48 Å. In the tenth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are two shorter (2.45 Å) and two longer (2.48 Å) Mo–S bond lengths. In the eleventh Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.44–2.48 Å. In the twelfth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.64 Å. In the thirteenth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.62 Å. In the fourteenth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.64 Å. In the fifteenth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.65 Å. In the sixteenth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.46–2.48 Å. In the seventeenth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are two shorter (2.45 Å) and two longer (2.48 Å) Mo–S bond lengths. In the eighteenth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.65 Å. In the nineteenth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.65 Å. In the twentieth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.63 Å. In the twenty-first Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.45–2.48 Å. In the twenty-second Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.63 Å. In the twenty-third Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.63 Å. In the twenty-fourth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.64 Å. In the twenty-fifth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.63 Å. In the twenty-sixth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.62 Å. In the twenty-seventh Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.45–2.48 Å. In the twenty-eighth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.44–2.48 Å. In the twenty-ninth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.45–2.48 Å. In the thirtieth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.39–2.64 Å. In the thirty-first Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.64 Å. In the thirty-second Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.62 Å. In the thirty-third Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.64 Å. In the thirty-fourth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.44–2.48 Å. In the thirty-fifth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.45–2.48 Å. In the thirty-sixth Mo site, Mo is bonded to five S atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.63 Å. There are forty-four inequivalent S sites. In the first S site, S is bonded in a 4-coordinate geometry to one K and three Mo atoms. In the second S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the third S site, S is bonded in a 4-coordinate geometry to one K and three Mo atoms. In the fourth S site, S is bonded in a 6-coordinate geometry to two K and four Mo atoms. In the fifth S site, S is bonded in a 4-coordinate geometry to one K and three Mo atoms. In the sixth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the seventh S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the eighth S site, S is bonded in a distorted rectangular see-saw-like geometry to four Mo atoms. In the ninth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the tenth S site, S is bonded in a distorted pentagonal planar geometry to one K and four Mo atoms. In the eleventh S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the twelfth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the thirteenth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the fourteenth S site, S is bonded in a 4-coordinate geometry to one K and three Mo atoms. In the fifteenth S site, S is bonded in a 6-coordinate geometry to two K and four Mo atoms. In the sixteenth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the seventeenth S site, S is bonded in a 3-coordinate geometry to three Mo atoms. In the eighteenth S site, S is bonded in a 6-coordinate geometry to two K and four Mo atoms. In the nineteenth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the twentieth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the twenty-first S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the twenty-second S site, S is bonded in a 4-coordinate geometry to one K and three Mo atoms. In the twenty-third S site, S is bonded in a 6-coordinate geometry to two K and four Mo atoms. In the twenty-fourth S site, S is bonded in a distorted pentagonal planar geometry to one K and four Mo atoms. In the twenty-fifth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the twenty-sixth S site, S is bonded in a 6-coordinate geometry to two K and four Mo atoms. In the twenty-seventh S site, S is bonded in a 4-coordinate geometry to one K and three Mo atoms. In the twenty-eighth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the twenty-ninth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the thirtieth S site, S is bonded in a distorted pentagonal planar geometry to one K and four Mo atoms. In the thirty-first S site, S is bonded in a 6-coordinate geometry to two K and four Mo atoms. In the thirty-second S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the thirty-third S site, S is bonded in a 6-coordinate geometry to two K and four Mo atoms. In the thirty-fourth S site, S is bonded in a distorted pentagonal planar geometry to one K and four Mo atoms. In the thirty-fifth S site, S is bonded in a distorted rectangular see-saw-like geometry to four Mo atoms. In the thirty-sixth S site, S is bonded in a 4-coordinate geometry to one K and three Mo atoms. In the thirty-seventh S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the thirty-eighth S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the thirty-ninth S site, S is bonded in a 6-coordinate geometry to two K and four Mo atoms. In the fortieth S site, S is bonded in a distorted pentagonal planar geometry to one K and four Mo atoms. In the forty-first S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the forty-second S site, S is bonded in a 5-coordinate geometry to one K and four Mo atoms.