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DOE OSTI2020

Materials Data on NpI3 by Materials Project

NpI3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NpI3 sheets oriented in the (0, 1, 0) direction. Np3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Np–I bond distances ranging from 3.11–3.42 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Np3+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Np3+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on K4NpS2ClO10 by Materials Project

K4NpS2O10Cl crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to seven O2- and one Cl1- atom to form distorted KClO7 hexagonal bipyramids that share a cornercorner with one KClO7 hexagonal bipyramid, a cornercorner with one SO4 tetrahedra, edges with four equivalent KClO7 hexagonal bipyramids, and edges with two equivalent SO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.72–3.15 Å. The K–Cl bond length is 3.16 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to five O2- and two equivalent Cl1- atoms. There are a spread of K–O bond distances ranging from 2.79–2.97 Å. There are one shorter (3.20 Å) and one longer (3.23 Å) K–Cl bond lengths. Np5+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Np–O bond lengths are 1.85 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one KClO7 hexagonal bipyramid and edges with two equivalent KClO7 hexagonal bipyramids. There are a spread of S–O bond distances ranging from 1.47–1.53 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Np5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. Cl1- is bonded to six K1+ atoms to form edge-sharing ClK6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpAgSeO5 by Materials Project

NpAgSeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Np5+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Np–O bond distances ranging from 1.88–2.53 Å. Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.33–2.84 Å. Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.75 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Np5+, one Ag1+, and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Np5+ and two equivalent Ag1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Se4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Np5+ and three equivalent Ag1+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ag1+ and one Se4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Np(H3O4)2 by Materials Project

K3Np(H3O4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to four H1+ and eight O2- atoms. There are two shorter (2.80 Å) and two longer (2.86 Å) K–H bond lengths. There are a spread of K–O bond distances ranging from 2.71–3.07 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.83–2.94 Å. Np7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Np–O bond distances ranging from 1.89–2.29 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one K1+ and two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Np7+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Np7+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Np7+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to three K1+ and two H1+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on NaNp3F13 by Materials Project

NaNp3F13 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na1+ is bonded in a 1-coordinate geometry to five F1- atoms. There are a spread of Na–F bond distances ranging from 2.07–2.85 Å. Np4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Np–F bond distances ranging from 2.26–2.59 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Np4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Np4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Np4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Na1+ atoms. In the fifth F1- site, F1- is bonded in a distorted linear geometry to two equivalent Np4+ atoms. In the sixth F1- site, F1- is bonded in a distorted tetrahedral geometry to one Na1+ and three equivalent Np4+ atoms. In the seventh F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent Np4+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Na2NpH2(CO3)3 by Materials Project

Na2NpH2(CO3)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.92 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.88 Å. Np4+ is bonded to seven O2- atoms to form distorted edge-sharing NpO7 pentagonal bipyramids. There are a spread of Np–O bond distances ranging from 1.85–2.54 Å. There are three inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the second C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the third C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Np4+ and one C+3.33+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and one Np4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one C+3.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Np4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one C+3.33+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Np4+, and one C+3.33+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Np4+, and one C+3.33+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Np4+, and one C+3.33+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two H1+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on NpBr3 by Materials Project

NpBr3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NpBr3 sheets oriented in the (0, 1, 0) direction. Np3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Np–Br bond distances ranging from 2.90–3.20 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Np3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Np3+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Np3As4 by Materials Project

Np3As4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Np4+ is bonded to eight equivalent As3- atoms to form a mixture of distorted edge, corner, and face-sharing NpAs8 hexagonal bipyramids. There are four shorter (2.91 Å) and four longer (2.97 Å) Np–As bond lengths. As3- is bonded to six equivalent Np4+ atoms to form a mixture of distorted edge, corner, and face-sharing AsNp6 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.

36 MATERIALS SCIENCE↗
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Materials Data on Cs2Np(SO5)2 by Materials Project

Cs2Np(SO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.14–3.54 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.16–3.70 Å. Np6+ is bonded to seven O2- atoms to form distorted NpO7 pentagonal bipyramids that share corners with three SO4 tetrahedra and an edgeedge with one SO4 tetrahedra. There are a spread of Np–O bond distances ranging from 1.80–2.54 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent NpO7 pentagonal bipyramids. There is two shorter (1.46 Å) and two longer (1.53 Å) S–O bond length. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one NpO7 pentagonal bipyramid and an edgeedge with one NpO7 pentagonal bipyramid. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Np6+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Np6+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to three Cs1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Cs1+, one Np6+, and one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to three Cs1+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Cs1+, one Np6+, and one S6+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to two Cs1+ and one Np6+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Np6+, and one S6+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to three Cs1+ and one Np6+ atom.

36 MATERIALS SCIENCE↗
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Materials Data on Np2Si4Mo3 by Materials Project

Np2Mo3Si4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Np3+ is bonded to seven Si4- atoms to form distorted NpSi7 pentagonal bipyramids that share corners with four equivalent MoSi6 octahedra, corners with six equivalent NpSi7 pentagonal bipyramids, corners with five equivalent MoSi6 pentagonal pyramids, edges with three equivalent NpSi7 pentagonal bipyramids, edges with two equivalent MoSi6 pentagonal pyramids, faces with two equivalent MoSi6 octahedra, faces with two equivalent NpSi7 pentagonal bipyramids, and faces with four equivalent MoSi6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 46–54°. There are a spread of Np–Si bond distances ranging from 2.81–2.98 Å. There are two inequivalent Mo+3.33+ sites. In the first Mo+3.33+ site, Mo+3.33+ is bonded to six Si4- atoms to form distorted MoSi6 pentagonal pyramids that share corners with three equivalent MoSi6 octahedra, corners with five equivalent NpSi7 pentagonal bipyramids, corners with four equivalent MoSi6 pentagonal pyramids, edges with two equivalent NpSi7 pentagonal bipyramids, edges with four equivalent MoSi6 pentagonal pyramids, faces with two equivalent MoSi6 octahedra, and faces with four equivalent NpSi7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 40–41°. There are a spread of Mo–Si bond distances ranging from 2.55–2.62 Å. In the second Mo+3.33+ site, Mo+3.33+ is bonded to six Si4- atoms to form MoSi6 octahedra that share corners with four equivalent MoSi6 octahedra, corners with eight equivalent NpSi7 pentagonal bipyramids, corners with six equivalent MoSi6 pentagonal pyramids, faces with four equivalent NpSi7 pentagonal bipyramids, and faces with four equivalent MoSi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. There are a spread of Mo–Si bond distances ranging from 2.65–2.68 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Np3+, four Mo+3.33+, and one Si4- atom. The Si–Si bond length is 2.52 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Np3+, five Mo+3.33+, and one Si4- atom. The Si–Si bond length is 2.57 Å.

36 MATERIALS SCIENCE↗
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Materials Data on NaNpCO5 by Materials Project

NaNpO2CO3 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.96 Å. Np5+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.85 Å) and one longer (1.86 Å) Np–O bond length. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.28 Å) and one longer (1.32 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one Np5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Np5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one C4+ atom.

36 MATERIALS SCIENCE↗
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Materials Data on Cs2NpBr6 by Materials Project

Cs2NpBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent NpBr6 octahedra. All Cs–Br bond lengths are 4.01 Å. Np4+ is bonded to six equivalent Br1- atoms to form NpBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Np–Br bond lengths are 2.77 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Np4+ atom.

36 MATERIALS SCIENCE↗
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Materials Data on Na4NpO5 by Materials Project

Na4NpO5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share a cornercorner with one NpO6 octahedra, corners with five equivalent NaO6 octahedra, edges with three equivalent NpO6 octahedra, and edges with nine equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–20°. There are a spread of Na–O bond distances ranging from 2.36–2.82 Å. Np6+ is bonded to six O2- atoms to form NpO6 octahedra that share corners with two equivalent NpO6 octahedra, corners with four equivalent NaO6 octahedra, and edges with twelve equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are four shorter (2.02 Å) and two longer (2.32 Å) Np–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Np6+ atoms to form corner-sharing ONa4Np2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five equivalent Na1+ and one Np6+ atom.

36 MATERIALS SCIENCE↗
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Materials Data on Cs2NpO3 by Materials Project

Cs2NpO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.42 Å. Np4+ is bonded to five O2- atoms to form distorted edge-sharing NpO5 trigonal bipyramids. There are a spread of Np–O bond distances ranging from 2.04–2.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Np4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Np4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaNpO3 by Materials Project

BaNpO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent NpO6 octahedra. All Ba–O bond lengths are 3.13 Å. Np4+ is bonded to six equivalent O2- atoms to form NpO6 octahedra that share corners with six equivalent NpO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Np–O bond lengths are 2.21 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Np4+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on CsNpCuS3 by Materials Project

CsNpCuS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.55–3.71 Å. Np4+ is bonded to six S2- atoms to form NpS6 octahedra that share corners with two equivalent NpS6 octahedra, edges with two equivalent NpS6 octahedra, and edges with four equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are two shorter (2.67 Å) and four longer (2.72 Å) Np–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra and edges with four equivalent NpS6 octahedra. There are two shorter (2.30 Å) and two longer (2.41 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Np4+, and one Cu1+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Np4+, and two equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on NpAu3 by Materials Project

NpAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.02 Å) and six longer (3.49 Å) Np–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Np3+ and four equivalent Au1- atoms to form a mixture of distorted face, edge, and corner-sharing AuNp4Au4 tetrahedra. All Au–Au bond lengths are 3.02 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Np3+ and eight equivalent Au1- atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Na3Np(HO3)2 by Materials Project

Na3Np(HO3)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with eight equivalent NaO4 tetrahedra and edges with three equivalent NpO6 octahedra. There are a spread of Na–O bond distances ranging from 2.36–2.53 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with four equivalent NaO6 octahedra, corners with four equivalent NpO6 octahedra, and corners with two equivalent NaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–77°. There are a spread of Na–O bond distances ranging from 2.29–2.34 Å. Np7+ is bonded to six O2- atoms to form NpO6 octahedra that share corners with eight equivalent NaO4 tetrahedra and edges with three equivalent NaO6 octahedra. There are a spread of Np–O bond distances ranging from 1.93–2.24 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and one Np7+ atom to form corner-sharing ONa3Np tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Na1+ and one Np7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Np7+, and one H1+ atom.

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