DOI: 10.17188/1284183
title: Materials Data on Pr5(Mo3Se4)12 by Materials Project

description: Pr5(Mo3Se4)12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Pr sites. In the first Pr site, Pr is bonded in a body-centered cubic geometry to eight Se atoms. There are a spread of Pr–Se bond distances ranging from 2.92–3.16 Å. In the second Pr site, Pr is bonded in a body-centered cubic geometry to eight Se atoms. There are two shorter (2.92 Å) and six longer (3.15 Å) Pr–Se bond lengths. In the third Pr site, Pr is bonded in a body-centered cubic geometry to eight Se atoms. There are two shorter (2.92 Å) and six longer (3.15 Å) Pr–Se bond lengths. In the fourth Pr site, Pr is bonded in a body-centered cubic geometry to eight Se atoms. There are two shorter (2.92 Å) and six longer (3.15 Å) Pr–Se bond lengths. In the fifth Pr site, Pr is bonded in a body-centered cubic geometry to eight Se atoms. There are a spread of Pr–Se bond distances ranging from 2.92–3.16 Å. In the sixth Pr site, Pr is bonded in a body-centered cubic geometry to eight Se atoms. There are two shorter (2.92 Å) and six longer (3.16 Å) Pr–Se bond lengths. There are thirty-six inequivalent Mo sites. In the first Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.52–2.76 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to five Se atoms. There are a spread of Mo–Se bond distances ranging from 2.55–2.77 Å. In the third Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.52–2.75 Å. In the fourth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.52–2.76 Å. In the fifth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the sixth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the seventh Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the eighth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the ninth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.77 Å. In the tenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the eleventh Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.77 Å. In the twelfth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.52–2.76 Å. In the thirteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.76 Å. In the fourteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.78 Å. In the fifteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.78 Å. In the sixteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.78 Å. In the seventeenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the eighteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.78 Å. In the nineteenth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.76 Å. In the twentieth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the twenty-first Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.52–2.77 Å. In the twenty-second Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the twenty-third Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the twenty-fourth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the twenty-fifth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the twenty-sixth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the twenty-seventh Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the twenty-eighth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the twenty-ninth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the thirtieth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the thirty-first Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the thirty-second Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.78 Å. In the thirty-third Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. In the thirty-fourth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the thirty-fifth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In the thirty-sixth Mo site, Mo is bonded to five Se atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.76 Å. There are forty-one inequivalent Se sites. In the first Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the second Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the third Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the fourth Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the fifth Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the sixth Se site, Se is bonded in a 5-coordinate geometry to one Pr and four Mo atoms. In the seventh Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the eighth Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the ninth Se site, Se is bonded in a 3-coordinate geometry to three Mo atoms. In the tenth Se site, Se is bonded in a 1-coordinate geometry to one Pr and three Mo atoms. In the eleventh Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the twelfth Se site, Se is bonded in a 3-coordinate geometry to three Mo atoms. In the thirteenth Se site, Se is bonded in a 5-coordinate geometry to one Pr and four Mo atoms. In the fourteenth Se site, Se is bonded in a 1-coordinate geometry to one Pr and three Mo atoms. In the fifteenth Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the sixteenth Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the seventeenth Se site, Se is bonded in a 1-coordinate geometry to one Pr and three Mo atoms. In the eighteenth Se site, Se is bonded in a 5-coordinate geometry to one Pr and four Mo atoms. In the nineteenth Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the twentieth Se site, Se is bonded in a 1-coordinate geometry to one Pr and three Mo atoms. In the twenty-first Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the twenty-second Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the twenty-third Se site, Se is bonded in a 1-coordinate geometry to one Pr and three Mo atoms. In the twenty-fourth Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the twenty-fifth Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the twenty-sixth Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the twenty-seventh Se site, Se is bonded in a 1-coordinate geometry to one Pr and three Mo atoms. In the twenty-eighth Se site, Se is bonded to one Pr and four Mo atoms to form a mixture of distorted edge and corner-sharing SePrMo4 trigonal bipyramids. In the twenty-ninth Se site, Se is bonded in a 1-coordinate geometry to one Pr and three Mo atoms. In the thirtieth Se site, Se is bonded in a 4-coordinate geometry to four Mo atoms. In the thirty-first Se