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Materials Data on Te2Mo by Materials Project

MoTe2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two MoTe2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.74 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Te2Mo by Materials Project

MoTe2 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two MoTe2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to six Te2- atoms to form distorted edge-sharing MoTe6 octahedra. There are a spread of Mo–Te bond distances ranging from 2.71–2.84 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Te2Mo by Materials Project

MoTe2 is Molybdenite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two MoTe2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.74 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Te2Mo by Materials Project

MoTe2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one MoTe2 sheet oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.74 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Te2Mo by Materials Project

MoTe2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of three MoTe2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.74 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on TeMo6 by Materials Project

TeMo6 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 8-coordinate geometry to eight Mo and two equivalent Te atoms. There are a spread of Mo–Mo bond distances ranging from 2.68–3.13 Å. There are one shorter (2.80 Å) and one longer (3.11 Å) Mo–Te bond lengths. In the second Mo site, Mo is bonded to twelve Mo atoms to form a mixture of distorted face and corner-sharing MoMo12 cuboctahedra. There are two shorter (2.67 Å) and two longer (2.68 Å) Mo–Mo bond lengths. Te is bonded in a 8-coordinate geometry to eight equivalent Mo atoms.

36 MATERIALS SCIENCE↗