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All sourcesNASA NTRSDOE OSTI
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 2.44–2.58 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 2.44–2.64 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 2.43–2.64 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 1.29 Å. 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 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 distorted 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 distorted 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↗
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 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↗
DOE OSTI2020

Materials Data on Nd5Co2 by Materials Project

Co2Nd5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.71 Å) and one longer (2.85 Å) Nd–Co bond lengths. In the second Nd site, Nd is bonded to four equivalent Co atoms to form distorted edge-sharing NdCo4 tetrahedra. There are two shorter (2.92 Å) and two longer (2.98 Å) Nd–Co bond lengths. In the third Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Co atoms. There are a spread of Nd–Co bond distances ranging from 2.80–3.23 Å. Co is bonded in a 7-coordinate geometry to seven Nd atoms.

36 MATERIALS SCIENCE↗