DOI: 10.17188/1269506
title: Materials Data on Rb2Bi4O7 by Materials Project

description: Rb2Bi4O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.78–3.43 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.47 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.56 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.56 Å. There are eight inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.78 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–3.04 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.83 Å. In the fourth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.14–2.70 Å. In the fifth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.14–2.90 Å. In the sixth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.75 Å. In the seventh Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.80 Å. In the eighth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.93 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Rb1+ and four Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to one Rb1+ and four Bi3+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to two Rb1+ and three Bi3+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two Bi3+ atoms. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to one Rb1+ and four Bi3+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Rb1+ and three Bi3+ atoms. In the eleventh O2- site, O2- is bonded in a 5-coordinate geometry to two Rb1+ and three Bi3+ atoms. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to two Rb1+ and three Bi3+ atoms. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to one Rb1+ and four Bi3+ atoms. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Bi3+ atoms. In the fifteenth O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two Bi3+ atoms.