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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn2P by Materials Project

Mn2P crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are two shorter (2.26 Å) and two longer (2.30 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.44 Å) and four longer (2.47 Å) Mn–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3P by Materials Project

Mn3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Mn–P bond distances ranging from 2.28–2.33 Å. In the second Mn site, Mn is bonded in a distorted water-like geometry to two equivalent P atoms. There are one shorter (2.30 Å) and one longer (2.37 Å) Mn–P bond lengths. In the third Mn site, Mn is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Mn–P bond distances ranging from 2.25–2.41 Å. P is bonded in a 9-coordinate geometry to nine Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnP by Materials Project

MnP is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent P2- atoms to form a mixture of distorted corner, edge, and face-sharing MnP6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Mn–P bond distances ranging from 2.26–2.38 Å. P2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnP4 by Materials Project

MnP4 is Sylvanite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.23–2.34 Å. There are four inequivalent P+0.50- sites. In the first P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are a spread of P–P bond distances ranging from 2.19–2.27 Å. In the second P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.25 Å) and one longer (2.28 Å) P–P bond lengths. In the third P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two P+0.50- atoms. The P–P bond length is 2.25 Å. In the fourth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two P+0.50- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnP4 by Materials Project

MnP4 is Sylvanite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.23–2.34 Å. In the second Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.22–2.37 Å. In the third Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.21–2.33 Å. There are twelve inequivalent P+0.50- sites. In the first P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are a spread of P–P bond distances ranging from 2.21–2.25 Å. In the second P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. Both P–P bond lengths are 2.25 Å. In the third P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are a spread of P–P bond distances ranging from 2.19–2.27 Å. In the fourth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two P+0.50- atoms. Both P–P bond lengths are 2.25 Å. In the fifth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and two P+0.50- atoms. There are one shorter (2.24 Å) and one longer (2.25 Å) P–P bond lengths. In the sixth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and two P+0.50- atoms. In the seventh P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.19 Å) and one longer (2.26 Å) P–P bond lengths. In the eighth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and two P+0.50- atoms. The P–P bond length is 2.24 Å. In the ninth P+0.50- site, P+0.50- is bonded in a 4-coordinate geometry to two Mn2+ and two P+0.50- atoms. In the tenth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two P+0.50- atoms. In the eleventh P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. The P–P bond length is 2.27 Å. In the twelfth P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnP2 by Materials Project

PPMn is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent P1- atoms to form a mixture of corner and edge-sharing MnP6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four shorter (2.28 Å) and two longer (2.33 Å) Mn–P bond lengths. P1- is bonded in a 4-coordinate geometry to three equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnP by Materials Project

MnP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent P2- atoms to form a mixture of corner, edge, and face-sharing MnP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Mn–P bond lengths are 2.35 Å. P2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnP by Materials Project

MnP is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent P2- atoms to form corner-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.28 Å. P2- is bonded to four equivalent Mn2+ atoms to form corner-sharing PMn4 tetrahedra.

36 MATERIALS SCIENCE↗