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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd(CO3)3 by Materials Project

Nd(CO3)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Nd(CO3)3 clusters. Nd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.22–2.75 Å. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. In the second C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the third C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one C atom. In the second O site, O is bonded in a single-bond geometry to one C atom. In the third O site, O is bonded in a single-bond geometry to one Nd atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Nd and one O atom. The O–O bond length is 1.35 Å. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one C atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Nd and one O atom. In the seventh O site, O is bonded in a single-bond geometry to one C atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Nd and one C atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one Nd and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCO4 by Materials Project

NdCO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.64 Å. C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.30 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Nd atoms. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Nd and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Nd and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCO4 by Materials Project

NdCO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.75 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.29 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 water-like geometry to two equivalent Nd atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Nd and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Nd and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdC3O10 by Materials Project

Nd(CO3)2CO2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four carbon dioxide molecules; four hydrogen peroxide molecules; and one Nd(CO3)2 sheet oriented in the (0, 0, 1) direction. In the Nd(CO3)2 sheet, Nd is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Nd–O bond distances ranging from 2.27–2.46 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.41 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Nd and one C atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one C atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Nd and one C atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Nd and one O atom. The O–O bond length is 1.48 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to one Nd, one C, and one O atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Nd and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCO4 by Materials Project

NdCO4 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.43–2.69 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.44–2.67 Å. In the third Nd site, Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.42–2.61 Å. There are six inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.29 Å) and one longer (1.31 Å) C–O bond length. In the second 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 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. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. In the fifth 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 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 Nd and one C atom. In the second O site, O is bonded in a distorted single-bond geometry to two Nd and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Nd and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Nd and one C atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent Nd and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Nd and one C atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two equivalent Nd and one C atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Nd and one C atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent Nd and one C atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two Nd and one C atom. In the eleventh O site, O is bonded in a single-bond geometry to two equivalent Nd and one C atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to two Nd and one C atom. In the thirteenth O site, O is bonded in a trigonal planar geometry to three equivalent Nd atoms. In the fourteenth O site, O is bonded in a trigonal planar geometry to three equivalent Nd atoms. In the fifteenth O site, O is bonded in a trigonal planar geometry to three equivalent Nd atoms. In the sixteenth O site, O is bonded in a trigonal non-coplanar geometry to three Nd atoms. In the seventeenth O site, O is bonded in a trigonal non-coplanar geometry to three Nd atoms.

36 MATERIALS SCIENCE↗