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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GeP3 by Materials Project

GeP3 is Ilmenite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ge4+ is bonded to six equivalent P+1.33- atoms to form distorted corner-sharing GeP6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are three shorter (2.49 Å) and three longer (2.87 Å) Ge–P bond lengths. P+1.33- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ge4+ and two equivalent P+1.33- atoms. Both P–P bond lengths are 2.23 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeP by Materials Project

GeP is Halite, Rock Salt structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ge3+ is bonded to five equivalent P3- atoms to form a mixture of corner and edge-sharing GeP5 square pyramids. There are one shorter (2.41 Å) and four longer (2.56 Å) Ge–P bond lengths. P3- is bonded to five equivalent Ge3+ atoms to form a mixture of corner and edge-sharing PGe5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeP2 by Materials Project

GeP2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ge4+ is bonded to six equivalent P2- atoms to form GeP6 octahedra that share corners with twelve equivalent GeP6 octahedra and corners with six equivalent PGe3P tetrahedra. The corner-sharing octahedral tilt angles are 67°. All Ge–P bond lengths are 2.54 Å. P2- is bonded to three equivalent Ge4+ and one P2- atom to form PGe3P tetrahedra that share corners with three equivalent GeP6 octahedra and corners with fifteen equivalent PGe3P tetrahedra. The corner-sharing octahedral tilt angles are 75°. The P–P bond length is 2.14 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeP by Materials Project

GeP is Hittorf-derived structured and crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two GeP ribbons oriented in the (0, 1, 0) direction. there are three inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. All Ge–P bond lengths are 2.37 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are one shorter (2.36 Å) and two longer (2.37 Å) Ge–P bond lengths. In the third Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are two shorter (2.38 Å) and one longer (2.42 Å) Ge–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a distorted trigonal non-coplanar geometry to three Ge3+ atoms. In the second P3- site, P3- is bonded in a distorted trigonal non-coplanar geometry to three Ge3+ atoms. In the third P3- site, P3- is bonded in a distorted T-shaped geometry to three Ge3+ atoms.

36 MATERIALS SCIENCE↗