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At least 631 records · Page 35
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DOE OSTI2020

Materials Data on NpF3 by Materials Project

NpF3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are five shorter (2.40 Å) and six longer (2.70 Å) Np–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Np3+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Np3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KNpN3O11 by Materials Project

KNpN3O11 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded in a 2-coordinate geometry to fourteen O2- atoms. There are a spread of K–O bond distances ranging from 2.96–3.37 Å. Np6+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Np–O bond lengths are 1.79 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Np6+ atom.

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DOE OSTI2020

Materials Data on RbNpN3O11 by Materials Project

RbNpN3O11 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded in a 2-coordinate geometry to fourteen O2- atoms. There are a spread of Rb–O bond distances ranging from 3.07–3.46 Å. Np6+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Np–O bond lengths are 1.79 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one Np6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpCuSe2 by Materials Project

NpCuSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Np3+ is bonded to seven Se2- atoms to form distorted NpSe7 pentagonal bipyramids that share corners with four equivalent NpSe7 pentagonal bipyramids, corners with five equivalent CuSe4 tetrahedra, edges with seven equivalent NpSe7 pentagonal bipyramids, and edges with four equivalent CuSe4 tetrahedra. There are a spread of Np–Se bond distances ranging from 2.90–3.12 Å. Cu1+ is bonded to four Se2- atoms to form distorted CuSe4 tetrahedra that share corners with five equivalent NpSe7 pentagonal bipyramids, corners with four equivalent CuSe4 tetrahedra, edges with four equivalent NpSe7 pentagonal bipyramids, and an edgeedge with one CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.66 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Np3+ and one Cu1+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Np3+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpAs2 by Materials Project

NpAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np6+ is bonded in a 9-coordinate geometry to nine As3- atoms. There are a spread of Np–As bond distances ranging from 2.86–3.05 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to five equivalent Np6+ atoms to form a mixture of corner and edge-sharing AsNp5 square pyramids. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Np6+ and four equivalent As3- atoms. All As–As bond lengths are 2.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpSb by Materials Project

NpSb is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Np3+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All Np–Sb bond lengths are 3.24 Å. Sb3- is bonded in a distorted body-centered cubic geometry to eight equivalent Np3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpSi3 by Materials Project

NpSi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of face and corner-sharing NpSi12 cuboctahedra. All Np–Si bond lengths are 2.83 Å. Si+1.33- is bonded in a distorted square co-planar geometry to four equivalent Np4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpAs by Materials Project

NpAs is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Np–As bond lengths are 3.03 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Np3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpSb by Materials Project

NpSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np3+ is bonded to six equivalent Sb3- atoms to form a mixture of edge and corner-sharing NpSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Np–Sb bond lengths are 3.12 Å. Sb3- is bonded to six equivalent Np3+ atoms to form a mixture of edge and corner-sharing SbNp6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpAs by Materials Project

NpAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np3+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing NpAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Np–As bond lengths are 2.91 Å. As3- is bonded to six equivalent Np3+ atoms to form a mixture of edge and corner-sharing AsNp6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpCl4 by Materials Project

NpCl4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Np4+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are four shorter (2.64 Å) and four longer (2.90 Å) Np–Cl bond lengths. Cl1- is bonded in a distorted water-like geometry to two equivalent Np4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpBr3 by Materials Project

NpBr3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Np3+ is bonded in a 9-coordinate geometry to nine equivalent Br1- atoms. There are six shorter (3.06 Å) and three longer (3.15 Å) Np–Br bond lengths. Br1- is bonded in a trigonal non-coplanar geometry to three equivalent Np3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpCl3 by Materials Project

NpCl3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Np3+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are six shorter (2.91 Å) and three longer (2.93 Å) Np–Cl bond lengths. Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent Np3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpC by Materials Project

NpC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np4+ is bonded to six equivalent C4- atoms to form a mixture of edge and corner-sharing NpC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Np–C bond lengths are 2.48 Å. C4- is bonded to six equivalent Np4+ atoms to form a mixture of edge and corner-sharing CNp6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpN by Materials Project

NpN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing NpN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Np–N bond lengths are 2.43 Å. N3- is bonded to six equivalent Np3+ atoms to form a mixture of edge and corner-sharing NNp6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpO2 by Materials Project

NpO2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Np–O bond lengths are 2.34 Å. O2- is bonded to four equivalent Np4+ atoms to form a mixture of edge and corner-sharing ONp4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaNp2F9 by Materials Project

NaNp2F9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.48–2.62 Å. Np4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Np–F bond distances ranging from 2.24–2.45 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent Np4+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Na1+ and two equivalent Np4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two equivalent Np4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Np4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Np4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpIO5 by Materials Project

NpO5I crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Np5+ is bonded to seven O2- atoms to form distorted corner-sharing NpO7 pentagonal bipyramids. There are a spread of Np–O bond distances ranging from 1.87–2.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Np5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Np5+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

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