Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “NaP5”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

10 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaP5 by Materials Project

NaP5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven P+0.20- atoms. There are a spread of Na–P bond distances ranging from 2.86–3.37 Å. There are four inequivalent P+0.20- sites. In the first P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form a mixture of edge and corner-sharing PNaP3 trigonal pyramids. All P–P bond lengths are 2.24 Å. In the second P+0.20- site, P+0.20- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two P+0.20- atoms. There are one shorter (2.18 Å) and one longer (2.19 Å) P–P bond lengths. In the third P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form a mixture of distorted edge and corner-sharing PNaP3 tetrahedra. In the fourth P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form distorted corner-sharing PNaP3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na5SrTaP4 by Materials Project

Na5SrTaP4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 square pyramids that share corners with three equivalent NaP5 square pyramids, a cornercorner with one TaP4 tetrahedra, corners with seven NaP4 trigonal pyramids, edges with three NaP5 square pyramids, edges with two equivalent TaP4 tetrahedra, and edges with four NaP4 trigonal pyramids. There are a spread of Na–P bond distances ranging from 3.06–3.31 Å. In the second Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 square pyramids that share corners with five NaP5 square pyramids, a cornercorner with one TaP4 tetrahedra, corners with seven NaP4 trigonal pyramids, an edgeedge with one NaP5 square pyramid, edges with two equivalent TaP4 tetrahedra, and edges with four NaP4 trigonal pyramids. There are a spread of Na–P bond distances ranging from 3.03–3.28 Å. In the third Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with six NaP5 square pyramids, corners with two equivalent TaP4 tetrahedra, corners with eight NaP4 trigonal pyramids, edges with two equivalent NaP5 square pyramids, and an edgeedge with one TaP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.88–3.08 Å. In the fourth Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with four NaP5 square pyramids, corners with two equivalent TaP4 tetrahedra, corners with eight NaP4 trigonal pyramids, edges with three NaP5 square pyramids, and an edgeedge with one TaP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.90–3.07 Å. In the fifth Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with four NaP5 square pyramids, corners with two equivalent TaP4 tetrahedra, corners with eight NaP4 trigonal pyramids, edges with three NaP5 square pyramids, and an edgeedge with one TaP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.92–3.10 Å. Sr2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Sr–P bond distances ranging from 3.02–3.56 Å. Ta5+ is bonded to four P3- atoms to form TaP4 tetrahedra that share corners with two NaP5 square pyramids, corners with six NaP4 trigonal pyramids, edges with four NaP5 square pyramids, and edges with three NaP4 trigonal pyramids. There are a spread of Ta–P bond distances ranging from 2.39–2.42 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 1-coordinate geometry to five Na1+, two equivalent Sr2+, and one Ta5+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to five Na1+, two equivalent Sr2+, and one Ta5+ atom. In the third P3- site, P3- is bonded in a 1-coordinate geometry to six Na1+, one Sr2+, and one Ta5+ atom. In the fourth P3- site, P3- is bonded in a 8-coordinate geometry to six Na1+, one Sr2+, and one Ta5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na5SnP3 by Materials Project

Na5SnP3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.90–3.26 Å. In the second Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with three equivalent SnP4 tetrahedra, corners with five NaP4 tetrahedra, corners with four NaP5 trigonal bipyramids, edges with two equivalent SnP4 tetrahedra, edges with four NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.99–3.39 Å. In the third Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with two equivalent SnP4 tetrahedra, corners with six NaP4 tetrahedra, corners with four NaP5 trigonal bipyramids, edges with two equivalent SnP4 tetrahedra, edges with four NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 3.15–3.28 Å. In the fourth Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent NaP4 tetrahedra, corners with five equivalent SnP4 tetrahedra, corners with five NaP5 trigonal bipyramids, edges with two NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.92–3.00 Å. In the fifth Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent SnP4 tetrahedra, corners with five NaP4 tetrahedra, corners with six NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.88–2.92 Å. Sn4+ is bonded to four P3- atoms to form SnP4 tetrahedra that share corners with eight NaP4 tetrahedra, corners with five NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Sn–P bond distances ranging from 2.53–2.63 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to eight Na1+ and one Sn4+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Sn4+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight Na1+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na5GeP3 by Materials Project

Na5GeP3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent GeP4 tetrahedra, corners with five NaP4 tetrahedra, corners with three equivalent NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one GeP4 tetrahedra, and edges with two equivalent NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.87–2.91 Å. In the second Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent NaP4 tetrahedra, corners with five equivalent GeP4 tetrahedra, corners with three equivalent NaP5 trigonal bipyramids, edges with two NaP4 tetrahedra, and edges with two equivalent NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.91–3.03 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Na–P bond distances ranging from 2.87–3.42 Å. In the fourth Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with two equivalent GeP4 tetrahedra, corners with six NaP4 tetrahedra, corners with two equivalent NaP5 trigonal bipyramids, edges with two equivalent GeP4 tetrahedra, edges with four NaP4 tetrahedra, and an edgeedge with one NaP5 trigonal bipyramid. There are a spread of Na–P bond distances ranging from 3.04–3.31 Å. In the fifth Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.94–3.32 Å. Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with eight NaP4 tetrahedra, corners with two equivalent NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one GeP4 tetrahedra, and edges with two equivalent NaP5 trigonal bipyramids. There are a spread of Ge–P bond distances ranging from 2.36–2.45 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to eight Na1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to seven Na1+ and one Ge4+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to seven Na1+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na5SrNbP4 by Materials Project

Na5SrNbP4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 square pyramids that share a cornercorner with one NbP4 tetrahedra, corners with seven NaP4 trigonal pyramids, edges with two equivalent NaP5 square pyramids, edges with two equivalent NbP4 tetrahedra, and edges with four NaP4 trigonal pyramids. There are a spread of Na–P bond distances ranging from 3.06–3.31 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Na–P bond distances ranging from 3.02–3.29 Å. In the third Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with five equivalent NaP5 square pyramids, corners with two equivalent NbP4 tetrahedra, corners with eight NaP4 trigonal pyramids, and an edgeedge with one NbP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.87–3.09 Å. In the fourth Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share a cornercorner with one NaP5 square pyramid, corners with two equivalent NbP4 tetrahedra, corners with eight NaP4 trigonal pyramids, edges with two equivalent NaP5 square pyramids, and an edgeedge with one NbP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.88–3.07 Å. In the fifth Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share a cornercorner with one NaP5 square pyramid, corners with two equivalent NbP4 tetrahedra, corners with eight NaP4 trigonal pyramids, edges with two equivalent NaP5 square pyramids, and an edgeedge with one NbP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.92–3.10 Å. Sr2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Sr–P bond distances ranging from 3.02–3.56 Å. Nb5+ is bonded to four P3- atoms to form NbP4 tetrahedra that share a cornercorner with one NaP5 square pyramid, corners with six NaP4 trigonal pyramids, edges with two equivalent NaP5 square pyramids, and edges with three NaP4 trigonal pyramids. There are a spread of Nb–P bond distances ranging from 2.39–2.43 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to five Na1+, two equivalent Sr2+, and one Nb5+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to five Na1+, two equivalent Sr2+, and one Nb5+ atom. In the third P3- site, P3- is bonded in a 8-coordinate geometry to six Na1+, one Sr2+, and one Nb5+ atom. In the fourth P3- site, P3- is bonded in a 8-coordinate geometry to six Na1+, one Sr2+, and one Nb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2LiAlP2 by Materials Project

Na2LiAlP2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Na–P bond distances ranging from 2.96–3.10 Å. In the second Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with six equivalent LiP4 tetrahedra, corners with six equivalent AlP4 tetrahedra, corners with four equivalent NaP5 trigonal bipyramids, edges with two equivalent LiP4 tetrahedra, edges with two equivalent AlP4 tetrahedra, and edges with two equivalent NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.97–3.09 Å. Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with two equivalent LiP4 tetrahedra, corners with two equivalent AlP4 tetrahedra, corners with six equivalent NaP5 trigonal bipyramids, an edgeedge with one LiP4 tetrahedra, edges with three equivalent AlP4 tetrahedra, and edges with two equivalent NaP5 trigonal bipyramids. There are two shorter (2.52 Å) and two longer (2.58 Å) Li–P bond lengths. Al3+ is bonded to four P3- atoms to form AlP4 tetrahedra that share corners with two equivalent LiP4 tetrahedra, corners with two equivalent AlP4 tetrahedra, corners with six equivalent NaP5 trigonal bipyramids, an edgeedge with one AlP4 tetrahedra, edges with three equivalent LiP4 tetrahedra, and edges with two equivalent NaP5 trigonal bipyramids. There are two shorter (2.41 Å) and two longer (2.44 Å) Al–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to five Na1+, two equivalent Li1+, and two equivalent Al3+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to five Na1+, two equivalent Li1+, and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2Sr3P4 by Materials Project

Na2Sr3P4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five P2- atoms to form distorted NaP5 square pyramids that share corners with four SrP6 octahedra, corners with two equivalent NaP5 square pyramids, and faces with four SrP6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are a spread of Na–P bond distances ranging from 2.92–3.30 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Na–P bond distances ranging from 2.98–3.12 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P2- atoms to form SrP6 octahedra that share corners with four SrP6 octahedra, corners with two equivalent NaP5 square pyramids, edges with three SrP6 octahedra, a faceface with one SrP6 octahedra, and faces with two equivalent NaP5 square pyramids. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Sr–P bond distances ranging from 3.12–3.18 Å. In the second Sr2+ site, Sr2+ is bonded to six P2- atoms to form SrP6 octahedra that share corners with four SrP6 octahedra, corners with two equivalent NaP5 square pyramids, edges with three SrP6 octahedra, a faceface with one SrP6 octahedra, and faces with two equivalent NaP5 square pyramids. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Sr–P bond distances ranging from 3.13–3.17 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Sr–P bond distances ranging from 3.00–3.11 Å. There are four inequivalent P2- sites. In the first P2- site, P2- is bonded in a 9-coordinate geometry to three Na1+, five Sr2+, and one P2- atom. The P–P bond length is 2.27 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to two Na1+, five Sr2+, and one P2- atom. The P–P bond length is 2.31 Å. In the third P2- site, P2- is bonded in a 8-coordinate geometry to three Na1+, four Sr2+, and one P2- atom. The P–P bond length is 2.28 Å. In the fourth P2- site, P2- is bonded in a 8-coordinate geometry to three Na1+, four Sr2+, and one P2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaZnP by Materials Project

NaZnP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with twelve equivalent ZnP4 tetrahedra, corners with four equivalent NaP5 trigonal bipyramids, edges with four equivalent ZnP4 tetrahedra, and edges with eight equivalent NaP5 trigonal bipyramids. There are one shorter (2.99 Å) and four longer (3.05 Å) Na–P bond lengths. Zn2+ is bonded to four equivalent P3- atoms to form ZnP4 tetrahedra that share corners with four equivalent ZnP4 tetrahedra, corners with twelve equivalent NaP5 trigonal bipyramids, edges with four equivalent ZnP4 tetrahedra, and edges with four equivalent NaP5 trigonal bipyramids. All Zn–P bond lengths are 2.51 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na(GeP)3 by Materials Project

NaGe3P3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Na1+ is bonded to five P3- atoms to form distorted NaP5 square pyramids that share corners with six equivalent GeP4 tetrahedra and edges with two equivalent NaP5 square pyramids. There are a spread of Na–P bond distances ranging from 2.96–3.14 Å. There are three inequivalent Ge+2.67+ sites. In the first Ge+2.67+ site, Ge+2.67+ is bonded in a water-like geometry to two equivalent P3- atoms. Both Ge–P bond lengths are 2.42 Å. In the second Ge+2.67+ site, Ge+2.67+ is bonded in a distorted trigonal non-coplanar geometry to three P3- atoms. There are one shorter (2.39 Å) and two longer (2.41 Å) Ge–P bond lengths. In the third Ge+2.67+ site, Ge+2.67+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with six equivalent NaP5 square pyramids and corners with two equivalent GeP4 tetrahedra. There are a spread of Ge–P bond distances ranging from 2.34–2.36 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded to one Na1+ and three Ge+2.67+ atoms to form distorted PNaGe3 trigonal pyramids that share corners with four equivalent PNa2Ge3 trigonal bipyramids and corners with two equivalent PNaGe3 trigonal pyramids. In the second P3- site, P3- is bonded in a distorted pentagonal planar geometry to two equivalent Na1+ and three Ge+2.67+ atoms. In the third P3- site, P3- is bonded to two equivalent Na1+ and three Ge+2.67+ atoms to form distorted PNa2Ge3 trigonal bipyramids that share corners with four equivalent PNaGe3 trigonal pyramids and edges with two equivalent PNa2Ge3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3P11 by Materials Project

Na3P11 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five P+0.27- atoms to form NaP5 trigonal bipyramids that share corners with four equivalent PNaP3 tetrahedra. There are a spread of Na–P bond distances ranging from 3.06–3.10 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six P+0.27- atoms. There are a spread of Na–P bond distances ranging from 2.93–3.44 Å. There are six inequivalent P+0.27- sites. In the first P+0.27- site, P+0.27- is bonded to one Na1+ and three P+0.27- atoms to form distorted PNaP3 tetrahedra that share corners with two PNaP3 tetrahedra, a cornercorner with one PNa3P2 trigonal bipyramid, and corners with two equivalent NaP5 trigonal bipyramids. There are a spread of P–P bond distances ranging from 2.18–2.25 Å. In the second P+0.27- site, P+0.27- is bonded in a distorted see-saw-like geometry to one Na1+ and three P+0.27- atoms. There are a spread of P–P bond distances ranging from 2.19–2.26 Å. In the third P+0.27- site, P+0.27- is bonded to three Na1+ and two equivalent P+0.27- atoms to form corner-sharing PNa3P2 trigonal bipyramids. In the fourth P+0.27- site, P+0.27- is bonded to one Na1+ and three P+0.27- atoms to form distorted PNaP3 tetrahedra that share corners with two PNaP3 tetrahedra and corners with two equivalent PNa3P2 trigonal bipyramids. The P–P bond length is 2.26 Å. In the fifth P+0.27- site, P+0.27- is bonded in a 4-coordinate geometry to three Na1+ and two P+0.27- atoms. The P–P bond length is 2.18 Å. In the sixth P+0.27- site, P+0.27- is bonded in a distorted rectangular see-saw-like geometry to one Na1+ and three P+0.27- atoms.

36 MATERIALS SCIENCE↗