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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaCO by Materials Project

LaCO crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to three equivalent C and four equivalent O atoms. There are two shorter (2.83 Å) and one longer (2.87 Å) La–C bond lengths. There are two shorter (2.41 Å) and two longer (2.43 Å) La–O bond lengths. C is bonded in a distorted rectangular see-saw-like geometry to three equivalent La and one C atom. The C–C bond length is 1.26 Å. O is bonded to four equivalent La atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCO4 by Materials Project

LaCO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of La–O bond distances ranging from 2.43–2.70 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.28 Å) and two longer (1.30 Å) C–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the second O site, O is bonded in a single-bond geometry to three equivalent La and one C atom. In the third O site, O is bonded in a water-like geometry to two equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2CO5 by Materials Project

La2O2CO3 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.84 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent La3+ and one C4+ atom. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one C4+ atom.

36 MATERIALS SCIENCE↗