Materials Data on K2GeC6O13 by Materials Project

Abstract

K2GeC6O13 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.96 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.09 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ge–O bond distances ranging from 1.91–1.94 Å. In the second Ge4+ site, Ge4+ is bonded in an octahedral geometry to six O2- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Ge–O bond length. There are six inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) C–O bond length. In the second C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.32 Å) C–O bond length. In the third C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) C–O bond length. In the fourth C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.32 Å) C–O bond length. In the fifth C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) C–O bond length. In the sixth C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.33 Å) C–O bond length. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Ge4+, and one C+3.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one C+3.33+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Ge4+ and one C+3.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+3.33+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ge4+, and one C+3.33+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one C+3.33+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Ge4+, and one C+3.33+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+3.33+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ge4+ and one C+3.33+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+3.33+ atom. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Ge4+ and one C+3.33+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one C+3.33+ atom. In the thirteenth O2- site, O2- is bonded in a water-like geometry to two equivalent K1+ atoms.