Materials Data on TbCO3 by Materials Project
TbCO3 is Potassium chlorate-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.63 Å. In the second Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.57 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.42 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.41 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tb4+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Tb4+ and one C2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Tb4+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Tb4+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Tb4+ and one C2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Tb4+ and one C2+ atom.