DOI: 10.17188/1742603
title: Materials Data on Rb2ZnBr4 by Materials Project

description: Rb2ZnBr4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are twenty-four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.53–3.74 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.50–3.79 Å. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.51–3.73 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.51–3.98 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.53–3.79 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.55–4.08 Å. In the seventh Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.53–3.97 Å. In the eighth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.48–3.72 Å. In the ninth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–3.80 Å. In the tenth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.61–4.08 Å. In the eleventh Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.56–4.13 Å. In the twelfth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–4.17 Å. In the thirteenth Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–3.98 Å. In the fourteenth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–4.11 Å. In the fifteenth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.48–3.69 Å. In the sixteenth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–3.96 Å. In the seventeenth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.57–3.89 Å. In the eighteenth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.49–3.78 Å. In the nineteenth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.51–3.95 Å. In the twentieth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.52–4.06 Å. In the twenty-first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.53–4.10 Å. In the twenty-second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.54–4.15 Å. In the twenty-third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.56–3.93 Å. In the twenty-fourth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.56–3.88 Å. There are twelve inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.41–2.46 Å. In the second Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.42–2.46 Å. In the third Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.41–2.45 Å. In the fourth Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.41–2.45 Å. In the fifth Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.42–2.46 Å. In the sixth Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.41–2.47 Å. In the seventh Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.41–2.45 Å. In the eighth Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.42–2.47 Å. In the ninth Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.41–2.46 Å. In the tenth Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.41–2.45 Å. In the eleventh Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.41–2.46 Å. In the twelfth Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.42–2.46 Å. There are forty-eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four Rb1+ and one Zn2+ atom to form a mixture of distorted corner and edge-sharing BrRb4Zn trigonal bipyramids. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the fourth Br1- site, Br1- is bonded in a distorted see-saw-like geometry to three Rb1+ and one Zn2+ atom. In the fifth Br1- site, Br1- is bonded in a distorted single-bond geometry to four Rb1+ and one Zn2+ atom. In the sixth Br1- site, Br1- is bonded in a distorted see-saw-like geometry to three Rb1+ and one Zn2+ atom. In the seventh Br1- site, Br1- is bonded in a distorted trigonal bipyramidal geometry to four Rb1+ and one Zn2+ atom. In the eighth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the ninth Br1- site, Br1- is bonded in a 1-coordinate geometry to three Rb1+ and one Zn2+ atom. In the tenth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the eleventh Br1- site, Br1- is bonded to four Rb1+ and one Zn2+ atom to form a mixture of distorted corner and edge-sharing BrRb4Zn trigonal bipyramids. In the twelfth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the thirteenth Br1- site, Br1- is bonded in a 1-coordinate geometry to three Rb1+ and one Zn2+ atom. In the fourteenth Br1- site, Br1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the fifteenth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the sixteenth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the seventeenth Br1- site, Br1- is bonded in a 1-coordinate geometry to three Rb1+ and one Zn2+ atom. In the eighteenth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the nineteenth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the twentieth Br1- site, Br1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the twenty-first Br1- site, Br1- is bonded to four Rb1+ and one Zn2+ atom to form a mixture of distorted corner and edge-sharing BrRb4Zn trigonal bipyramids. In the twenty-second Br1- site, Br1- is bonded in a distorted single-bond geometry to four Rb1+ and one Zn2+ atom. In the twenty-third Br1- site, Br1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the twenty-fourth Br1- site, Br1- is bonded in a 1-coordinate geometry to three Rb1+ and one Zn2+ atom. In the twenty-fifth Br1- site, Br1- is bonded in a 1-coordinate geometry to three Rb1+ and one Zn2+ atom. In the twenty-sixth Br1- site, Br1- is bonded in a 5-coordinate geometry to four Rb1+ and one Zn2+ atom. In the twenty-seventh Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the twenty-eighth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the twenty-ninth Br1- site, Br1- is bonded in a distorted single-bond geometry to five Rb1+ and one Zn2+ atom. In the thirtieth Br1- site, Br1- is bonded in a 1-coordinate geometry to three Rb1+ and one Zn2+ atom. In the thirty-first Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the thirty-second Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the thirty-third Br1- site, Br1- is bonded in a distorted single-bond geometry to four Rb1+ and one Zn2+ atom. In the thirty-fourth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the thirty-fifth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the thirty-sixth Br1- site, Br1- is bonded in a 4-coordinate geometry to three Rb1+ and one Zn2+ atom. In the thirty-seventh Br1- site, Br1- is bonded to four Rb1+ and one Zn2+ atom to form distorted corner-sharing BrRb4Zn trigonal bipyramids. In the thirty-eighth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the thirty-ninth Br1- site, Br1- is bonded in a distorted see-saw-like geometry to three Rb1+ and one Zn2+ atom. In the fortieth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the forty-first Br1- site, Br1- is bonded to four Rb1+ and one Zn2+ atom to form distorted edge-sharing BrRb4Zn trigonal bipyramids. In the forty-second Br1- site, Br1- is bonded in a distorted single-bond geometry to five Rb1+ and one Zn2+ atom. In the forty-third Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the forty-fourth Br1- site, Br1- is bonded in a distorted see-saw-like geometry to three Rb1+ and one Zn2+ atom. In the forty-fifth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the forty-sixth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the forty-seventh Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the forty-eighth Br1- site, Br1- is bonded in a 4-coordinate geometry to three Rb1+ and one Zn2+ atom.