DOI: 10.17188/1283588
title: Materials Data on Rb14Si10O17 by Materials Project

description: Rb14Si10O17 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are fourteen inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.21 Å. In the second Rb site, Rb is bonded in a 1-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.71–3.41 Å. In the third Rb site, Rb is bonded in a 1-coordinate geometry to one Si and one O atom. The Rb–Si bond length is 3.95 Å. The Rb–O bond length is 2.76 Å. In the fourth Rb site, Rb is bonded in a 5-coordinate geometry to two Si and five O atoms. There are one shorter (3.60 Å) and one longer (3.91 Å) Rb–Si bond lengths. There are a spread of Rb–O bond distances ranging from 2.87–3.15 Å. In the fifth Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.74–3.32 Å. In the sixth Rb site, Rb is bonded in a 4-coordinate geometry to one Si and four O atoms. The Rb–Si bond length is 3.86 Å. There are a spread of Rb–O bond distances ranging from 2.75–3.01 Å. In the seventh Rb site, Rb is bonded in a 2-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.51 Å. In the eighth Rb site, Rb is bonded in a distorted single-bond geometry to two Si and one O atom. There are one shorter (3.42 Å) and one longer (3.56 Å) Rb–Si bond lengths. The Rb–O bond length is 2.76 Å. In the ninth Rb site, Rb is bonded in a 2-coordinate geometry to four Si and three O atoms. There are a spread of Rb–Si bond distances ranging from 3.77–3.90 Å. There are a spread of Rb–O bond distances ranging from 2.85–3.11 Å. In the tenth Rb site, Rb is bonded in a 2-coordinate geometry to four Si and two O atoms. There are a spread of Rb–Si bond distances ranging from 3.61–3.96 Å. There are one shorter (2.89 Å) and one longer (2.90 Å) Rb–O bond lengths. In the eleventh Rb site, Rb is bonded in a distorted single-bond geometry to three Si and one O atom. There are a spread of Rb–Si bond distances ranging from 3.56–3.71 Å. The Rb–O bond length is 2.74 Å. In the twelfth Rb site, Rb is bonded in a 5-coordinate geometry to one Si and four O atoms. The Rb–Si bond length is 3.48 Å. There are a spread of Rb–O bond distances ranging from 2.79–3.05 Å. In the thirteenth Rb site, Rb is bonded in a 5-coordinate geometry to three Si and five O atoms. There are a spread of Rb–Si bond distances ranging from 3.90–3.98 Å. There are a spread of Rb–O bond distances ranging from 2.95–3.30 Å. In the fourteenth Rb site, Rb is bonded in a 5-coordinate geometry to one Si and four O atoms. The Rb–Si bond length is 3.53 Å. There are a spread of Rb–O bond distances ranging from 2.77–3.23 Å. There are ten inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.71 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.60 Å) and three longer (1.66 Å) Si–O bond length. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.71 Å. In the fourth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.70 Å. In the fifth Si site, Si is bonded in a 1-coordinate geometry to five Rb and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.42–2.47 Å. In the sixth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.59–1.67 Å. In the seventh Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.71 Å. In the eighth Si site, Si is bonded in a 9-coordinate geometry to six Rb and three Si atoms. There are one shorter (2.42 Å) and one longer (2.44 Å) Si–Si bond lengths. In the ninth Si site, Si is bonded in a 2-coordinate geometry to five Rb and three Si atoms. The Si–Si bond length is 2.45 Å. In the tenth Si site, Si is bonded in a 9-coordinate geometry to six Rb and three Si atoms. There are seventeen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four Rb and one Si atom. In the second O site, O is bonded in a distorted single-bond geometry to four Rb and one Si atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two Rb and two Si atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one Si atom. In the fifth O site, O is bonded in a distorted single-bond geometry to five Rb and one Si atom. In the sixth O site, O is bonded in a 2-coordinate geometry to three Rb and two Si atoms. In the seventh O site, O is bonded in a distorted linear geometry to three Rb and two Si atoms. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to three Rb and two Si atoms. In the ninth O site, O is bonded in a distorted single-bond geometry to five Rb and one Si atom. In the tenth O site, O is bonded in a distorted single-bond geometry to five Rb and one Si atom. In the eleventh O site, O is bonded in a distorted bent 120 degrees geometry to four Rb and two Si atoms. In the twelfth O site, O is bonded in a distorted single-bond geometry to four Rb and one Si atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to four Rb and one Si atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to five Rb and one Si atom. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to two Rb and two Si atoms. In the sixteenth O site, O is bonded in a distorted single-bond geometry to four Rb and one Si atom. In the seventeenth O site, O is bonded in a 2-coordinate geometry to two Rb and two Si atoms.