DOI: 10.17188/1713618
title: Materials Data on Cs12Sn8GeO4 by Materials Project

description: Cs12Sn8GeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are twelve inequivalent Cs sites. In the first Cs site, Cs is bonded in a 1-coordinate geometry to five Sn and two O atoms. There are a spread of Cs–Sn bond distances ranging from 4.09–4.33 Å. There are one shorter (3.18 Å) and one longer (3.51 Å) Cs–O bond lengths. In the second Cs site, Cs is bonded in a 3-coordinate geometry to two Sn and three O atoms. There are one shorter (3.90 Å) and one longer (4.31 Å) Cs–Sn bond lengths. There are a spread of Cs–O bond distances ranging from 3.02–3.31 Å. In the third Cs site, Cs is bonded in a 5-coordinate geometry to three Sn and two O atoms. There are a spread of Cs–Sn bond distances ranging from 3.75–4.22 Å. There are one shorter (2.92 Å) and one longer (3.01 Å) Cs–O bond lengths. In the fourth Cs site, Cs is bonded in a 3-coordinate geometry to two Sn and three O atoms. There are one shorter (4.12 Å) and one longer (4.60 Å) Cs–Sn bond lengths. There are a spread of Cs–O bond distances ranging from 2.85–3.09 Å. In the fifth Cs site, Cs is bonded in a distorted single-bond geometry to five Sn and one O atom. There are a spread of Cs–Sn bond distances ranging from 4.01–4.44 Å. The Cs–O bond length is 3.00 Å. In the sixth Cs site, Cs is bonded in a 3-coordinate geometry to three Sn and three O atoms. There are a spread of Cs–Sn bond distances ranging from 4.37–4.49 Å. There are a spread of Cs–O bond distances ranging from 3.02–3.51 Å. In the seventh Cs site, Cs is bonded in a 1-coordinate geometry to three Sn and two O atoms. There are a spread of Cs–Sn bond distances ranging from 3.81–4.41 Å. There are one shorter (2.95 Å) and one longer (3.20 Å) Cs–O bond lengths. In the eighth Cs site, Cs is bonded in a 6-coordinate geometry to four Sn and three O atoms. There are a spread of Cs–Sn bond distances ranging from 3.96–4.58 Å. There are a spread of Cs–O bond distances ranging from 3.17–3.37 Å. In the ninth Cs site, Cs is bonded in a 3-coordinate geometry to six Sn atoms. There are a spread of Cs–Sn bond distances ranging from 3.96–4.44 Å. In the tenth Cs site, Cs is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Cs–Sn bond distances ranging from 3.91–4.14 Å. In the eleventh Cs site, Cs is bonded in a distorted single-bond geometry to five Sn and one O atom. There are a spread of Cs–Sn bond distances ranging from 3.73–4.37 Å. The Cs–O bond length is 2.86 Å. In the twelfth Cs site, Cs is bonded in a 4-coordinate geometry to five Sn atoms. There are a spread of Cs–Sn bond distances ranging from 3.72–4.50 Å. There are eight inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three Sn atoms. There are one shorter (3.00 Å) and two longer (3.01 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three Sn atoms. There are one shorter (2.97 Å) and one longer (2.98 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 8-coordinate geometry to five Cs and three Sn atoms. The Sn–Sn bond length is 2.98 Å. In the fourth Sn site, Sn is bonded in a 3-coordinate geometry to six Cs and three Sn atoms. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.96–3.05 Å. In the sixth Sn site, Sn is bonded in a 10-coordinate geometry to seven Cs and three Sn atoms. There are one shorter (2.93 Å) and one longer (2.98 Å) Sn–Sn bond lengths. In the seventh Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three Sn atoms. The Sn–Sn bond length is 2.93 Å. In the eighth Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three Sn atoms. Ge is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.80 Å) and three 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 Cs and one Ge atom. In the second O site, O is bonded in a distorted single-bond geometry to five Cs and one Ge atom. In the third O site, O is bonded in a distorted single-bond geometry to five Cs and one Ge atom. In the fourth O site, O is bonded in a distorted square pyramidal geometry to four Cs and one Ge atom.