Materials Data on Ge7F16 by Materials Project

Abstract

Ge7F16 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Ge7F16 sheets oriented in the (1, 0, 0) direction. there are seven inequivalent Ge+2.29+ sites. In the first Ge+2.29+ site, Ge+2.29+ is bonded in a 3-coordinate geometry to three F1- atoms. There are a spread of Ge–F bond distances ranging from 1.95–2.01 Å. In the second Ge+2.29+ site, Ge+2.29+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Ge–F bond distances ranging from 1.85–2.34 Å. In the third Ge+2.29+ site, Ge+2.29+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of Ge–F bond distances ranging from 1.84–2.02 Å. In the fourth Ge+2.29+ site, Ge+2.29+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Ge–F bond distances ranging from 1.88–2.58 Å. In the fifth Ge+2.29+ site, Ge+2.29+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Ge–F bond distances ranging from 1.96–2.34 Å. In the sixth Ge+2.29+ site, Ge+2.29+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Ge–F bond distances ranging from 1.90–2.64 Å. In the seventh Ge+2.29+ site, Ge+2.29+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ge–F bond distances ranging from 1.81–1.90 Å. There are sixteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ge+2.29+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ge+2.29+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ge+2.29+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to two Ge+2.29+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ge+2.29+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to two Ge+2.29+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms. In the twelfth F1- site, F1- is bonded in a 1-coordinate geometry to two Ge+2.29+ atoms. In the thirteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ge+2.29+ atoms. In the fourteenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ge+2.29+ atoms. In the fifteenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ge+2.29+ atoms. In the sixteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms.