Results for “CdGe(BiO3)2” | Engineering Papers

DOE OSTI2020

Materials Data on CdGe(BiO3)2 by Materials Project

CdGe(BiO3)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.23–2.62 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.91 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Cd2+, one Ge4+, and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OCd2Bi2 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CdGe(BiO3)2 by Materials Project

CdGe(BiO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.24–2.61 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.81 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–3.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cd2+ and two Bi3+ atoms to form a mixture of distorted edge and corner-sharing OCd2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Cd2+, one Ge4+, and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two Bi3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Cd2+ and two Bi3+ atoms to form a mixture of distorted edge and corner-sharing OCd2Bi2 tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Cd2+, one Ge4+, and two equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗