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28 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ba(MnP)2 by Materials Project

BaMn2P2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Ba–P bond lengths are 3.35 Å. Mn2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.28 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrMnP by Materials Project

ZrMnP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of Zr–P bond distances ranging from 2.68–2.75 Å. Mn is bonded to four equivalent P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.38–2.51 Å. P is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaMnP by Materials Project

NaMnP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five equivalent P3- atoms. There are four shorter (2.91 Å) and one longer (3.15 Å) Na–P bond lengths. Mn2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.30 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnNbP by Materials Project

NbMnP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of Nb–P bond distances ranging from 2.60–2.64 Å. Mn is bonded to four equivalent P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.30–2.40 Å. P is bonded in a 9-coordinate geometry to five equivalent Nb and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KMnP by Materials Project

KMnP crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one KMnP sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All K–P bond lengths are 3.28 Å. Mn2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.29 Å. P3- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaMnP by Materials Project

TaMnP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to five equivalent P atoms. There are two shorter (2.60 Å) and three longer (2.62 Å) Ta–P bond lengths. Mn is bonded to four equivalent P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.27–2.37 Å. P is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbMnP by Materials Project

RbMnP crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one RbMnP sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All Rb–P bond lengths are 3.40 Å. Mn2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.27 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Rb1+ and four 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↗
DOE OSTI2020

Materials Data on TiMnP by Materials Project

TiMnP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.52 Å) and one longer (2.55 Å) Ti–P bond lengths. Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.38 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 three equivalent Ti and six equivalent Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsMnP by Materials Project

CsMnP crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CsMnP sheet oriented in the (0, 0, 1) direction. Cs1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All Cs–P bond lengths are 3.51 Å. Mn2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.28 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗