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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 La2CO5 by Materials Project

La2O2CO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.94 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.97 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.95 Å. There are two inequivalent C4+ sites. In the first C4+ site, 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. In the second C4+ site, 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 eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one C4+ atom. In the fifth O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one C4+ atom. In the eighth O2- site, O2- is bonded to four La3+ 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 LaCO4 by Materials Project

LaCO4 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.48–2.77 Å. In the second La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.49–2.75 Å. In the third La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.47–2.65 Å. There are six inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. In the fourth C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. In the sixth C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.30 Å) C–O bond length. There are seventeen 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 distorted single-bond geometry to two La and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent La and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the eleventh O site, O is bonded in a single-bond geometry to two equivalent La and one C atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the thirteenth O site, O is bonded in a trigonal planar geometry to three equivalent La atoms. In the fourteenth O site, O is bonded in a trigonal planar geometry to three equivalent La atoms. In the fifteenth O site, O is bonded in a trigonal planar geometry to three equivalent La atoms. In the sixteenth O site, O is bonded in a trigonal non-coplanar geometry to three La atoms. In the seventeenth O site, O is bonded in a trigonal non-coplanar geometry to three La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2C3O17 by Materials Project

La2C2O11CO2(O2)2 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of four carbon dioxide molecules; eight hydrogen peroxide molecules; and two La2C2O11 sheets oriented in the (0, 0, 1) direction. In each La2C2O11 sheet, there are two inequivalent La sites. In the first La site, La is bonded in a distorted hexagonal bipyramidal geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.37–2.64 Å. In the second La site, La is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.47–2.72 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the second O site, O is bonded in an L-shaped geometry to one La and one O atom. The O–O bond length is 1.37 Å. In the third O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the fifth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one La and one O atom. The O–O bond length is 1.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCO4 by Materials Project

LaCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. La is bonded in a 2-coordinate geometry to ten O atoms. There are a spread of La–O bond distances ranging from 2.37–3.05 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent La atoms. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent La and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent La and one C atom. In the fourth O site, O is bonded in a single-bond geometry to three equivalent La and one C atom.

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↗