Materials Data on Rb12Sn8GeO4 by Materials Project

Abstract

Rb12Sn8GeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are twelve inequivalent Rb sites. In the first Rb site, Rb is bonded in a distorted single-bond geometry to five Sn and one O atom. There are a spread of Rb–Sn bond distances ranging from 3.84–4.21 Å. The Rb–O bond length is 2.84 Å. In the second Rb site, Rb is bonded in a distorted single-bond geometry to five Sn and one O atom. There are a spread of Rb–Sn bond distances ranging from 3.60–4.22 Å. The Rb–O bond length is 2.73 Å. In the third Rb site, Rb is bonded in a 3-coordinate geometry to five Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.81–4.26 Å. In the fourth Rb site, Rb is bonded in a 1-coordinate geometry to five Sn and two O atoms. There are a spread of Rb–Sn bond distances ranging from 3.90–4.20 Å. There are one shorter (3.00 Å) and one longer (3.34 Å) Rb–O bond lengths. In the fifth Rb site, Rb is bonded in a 5-coordinate geometry to three Sn and two O atoms. There are a spread of Rb–Sn bond distances ranging from 3.57–4.04 Å. There are one shorter (2.80 Å) and one longer (2.87 Å) Rb–O bond lengths. In the sixth Rb site, Rb is bonded in a 2-coordinate geometry to two Sn and three O atoms. There are one shorter (3.77 Å) and one longer (4.21 Å) Rb–Sn bond lengths. There are a spread of Rb–O bond distances ranging from 2.82–3.18 Å. In the seventh Rb site, Rb is bonded in a 6-coordinate geometry to three Sn and three O atoms. There are a spread of Rb–Sn bond distances ranging from 3.79–4.01 Å. There are a spread of Rb–O bond distances ranging from 3.04–3.27 Å. In the eighth Rb site, Rb is bonded in a 4-coordinate geometry to two Sn and two O atoms. There are one shorter (3.62 Å) and one longer (3.71 Å) Rb–Sn bond lengths. There are one shorter (2.80 Å) and one longer (2.99 Å) Rb–O bond lengths. In the ninth Rb site, Rb is bonded in a 4-coordinate geometry to four Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.53–4.13 Å. In the tenth Rb site, Rb is bonded in a 3-coordinate geometry to one Sn and three O atoms. The Rb–Sn bond length is 3.89 Å. There are a spread of Rb–O bond distances ranging from 2.72–2.95 Å. In the eleventh Rb site, Rb is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.73–3.93 Å. In the twelfth Rb site, Rb is bonded in a 3-coordinate geometry to one Sn and three O atoms. The Rb–Sn bond length is 4.13 Å. There are a spread of Rb–O bond distances ranging from 2.90–3.28 Å. There are eight inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to four Rb and three Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.94–3.05 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Rb and three Sn atoms. There are two shorter (2.97 Å) and one longer (3.00 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four Rb and three Sn atoms. There are one shorter (2.93 Å) and one longer (2.96 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to six Rb and three Sn atoms. There are one shorter (3.01 Å) and one longer (3.02 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to five Rb and three Sn atoms. The Sn–Sn bond length is 2.99 Å. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to four Rb and three Sn atoms. The Sn–Sn bond length is 3.03 Å. In the seventh Sn site, Sn is bonded in a 9-coordinate geometry to six Rb and three Sn atoms. In the eighth Sn site, Sn is bonded in a 9-coordinate geometry to six Rb and three Sn atoms. Ge is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.80 Å) and one longer (1.81 Å) Ge–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to six Rb and one Ge atom. In the second O site, O is bonded in a distorted square pyramidal geometry to four Rb and one Ge atom. In the third O site, O is bonded in a 1-coordinate geometry to five Rb and one Ge atom. In the fourth O site, O is bonded in a 1-coordinate geometry to five Rb and one Ge atom.