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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrP3 by Materials Project

SrP3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to nine P+0.67- atoms. There are a spread of Sr–P bond distances ranging from 3.04–3.48 Å. There are two inequivalent P+0.67- sites. In the first P+0.67- site, P+0.67- is bonded in a tetrahedral geometry to one Sr2+ and three P+0.67- atoms. There are two shorter (2.21 Å) and one longer (2.28 Å) P–P bond lengths. In the second P+0.67- site, P+0.67- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two P+0.67- atoms. The P–P bond length is 2.25 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3P4 by Materials Project

Sr3P4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight P+1.50- atoms. There are a spread of Sr–P bond distances ranging from 3.08–3.28 Å. In the second Sr2+ site, Sr2+ is bonded to eight P+1.50- atoms to form SrP8 hexagonal bipyramids that share corners with four equivalent SrP8 hexagonal bipyramids, corners with four equivalent PSr6P pentagonal bipyramids, and edges with two equivalent SrP8 hexagonal bipyramids. There are a spread of Sr–P bond distances ranging from 3.03–3.30 Å. There are two inequivalent P+1.50- sites. In the first P+1.50- site, P+1.50- is bonded in a 8-coordinate geometry to six Sr2+ and two P+1.50- atoms. There are one shorter (2.24 Å) and one longer (2.32 Å) P–P bond lengths. In the second P+1.50- site, P+1.50- is bonded to six Sr2+ and one P+1.50- atom to form distorted PSr6P pentagonal bipyramids that share corners with two equivalent SrP8 hexagonal bipyramids, corners with six equivalent PSr6P pentagonal bipyramids, and edges with six equivalent PSr6P pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrP3 by Materials Project

SrP3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine P+0.67- atoms. There are a spread of Sr–P bond distances ranging from 3.08–3.46 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to eight P+0.67- atoms. There are a spread of Sr–P bond distances ranging from 3.07–3.46 Å. There are four inequivalent P+0.67- sites. In the first P+0.67- site, P+0.67- is bonded in a 6-coordinate geometry to four Sr2+ and two P+0.67- atoms. There are one shorter (2.19 Å) and one longer (2.20 Å) P–P bond lengths. In the second P+0.67- site, P+0.67- is bonded in a 5-coordinate geometry to three Sr2+ and two P+0.67- atoms. There are one shorter (2.21 Å) and one longer (2.24 Å) P–P bond lengths. In the third P+0.67- site, P+0.67- is bonded in a 4-coordinate geometry to two Sr2+ and three P+0.67- atoms. The P–P bond length is 2.25 Å. In the fourth P+0.67- site, P+0.67- is bonded in a distorted tetrahedral geometry to one Sr2+ and three P+0.67- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrP by Materials Project

SrP is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are two shorter (3.12 Å) and four longer (3.20 Å) Sr–P bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are four shorter (3.05 Å) and two longer (3.12 Å) Sr–P bond lengths. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to six Sr2+ and one P2- atom to form a mixture of distorted face, edge, and corner-sharing PSr6P pentagonal bipyramids. The P–P bond length is 2.26 Å. In the second P2- site, P2- is bonded to six Sr2+ and one P2- atom to form a mixture of distorted face, edge, and corner-sharing PSr6P pentagonal bipyramids. The P–P bond length is 2.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3P2 by Materials Project

Sr3P2 is alpha Rhenium trioxide-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one phosphine molecule and one Sr3P framework. In the Sr3P framework, Sr2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Sr–P bond lengths are 2.83 Å. P3- is bonded to six equivalent Sr2+ atoms to form corner-sharing PSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrP2 by Materials Project

SrP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine P1- atoms. There are a spread of Sr–P bond distances ranging from 3.16–3.44 Å. In the second Sr2+ site, Sr2+ is bonded to six P1- atoms to form SrP6 octahedra that share corners with four equivalent PSr4P2 octahedra. The corner-sharing octahedra tilt angles range from 32–77°. There are a spread of Sr–P bond distances ranging from 3.07–3.09 Å. There are three inequivalent P1- sites. In the first P1- site, P1- is bonded in a 6-coordinate geometry to four Sr2+ and two P1- atoms. There are one shorter (2.21 Å) and one longer (2.25 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 6-coordinate geometry to four Sr2+ and two P1- atoms. The P–P bond length is 2.22 Å. In the third P1- site, P1- is bonded to four Sr2+ and two P1- atoms to form distorted PSr4P2 octahedra that share corners with two equivalent SrP6 octahedra and corners with seven equivalent PSr4P2 octahedra. The corner-sharing octahedra tilt angles range from 0–102°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3P by Materials Project

Sr3P crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Sr3P ribbons oriented in the (0, 0, 1) direction. Sr is bonded in a distorted water-like geometry to two equivalent P atoms. Both Sr–P bond lengths are 3.40 Å. P is bonded in a 12-coordinate geometry to six equivalent Sr atoms.

36 MATERIALS SCIENCE↗