Materials Data on Eu2Ga7Ag by Materials Project
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https://www.osti.gov/servlets/purl/1757263/
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Eu2AgGa7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to two equivalent Ag and fourteen Ga atoms. Both Eu–Ag bond lengths are 3.51 Å. There are a spread of Eu–Ga bond distances ranging from 3.32–3.51 Å. Ag is bonded to four equivalent Eu and eight Ga atoms to form distorted AgEu4Ga8 cuboctahedra that share corners with four equivalent AgEu4Ga8 cuboctahedra, corners with twelve GaEu4Ga8 cuboctahedra, edges with two equivalent GaEu4Ga8 cuboctahedra, faces with four equivalent AgEu4Ga8 cuboctahedra, and faces with four equivalent GaEu4Ga4Ag4 cuboctahedra. There are four shorter (2.64 Å) and four longer (3.08 Å) Ag–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Eu, two equivalent Ag, and three Ga atoms. There are one shorter (2.50 Å) and two longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Eu and five Ga atoms. All Ga–Ga bond lengths are 2.64 Å. In the third Ga site, Ga is bonded to four equivalent Eu and eight Ga atoms to form distorted GaEu4Ga8 cuboctahedra that share corners with eight equivalent AgEu4Ga8 cuboctahedra, corners with eight GaEu4Ga8 cuboctahedra, edges with two equivalent GaEu4Ga4Ag4 cuboctahedra, and faces with eight GaEu4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.08 Å. In the fourth Ga site, Ga is bonded to four equivalent Eu, four equivalent Ag, and four equivalent Ga atoms to form GaEu4Ga4Ag4 cuboctahedra that share corners with sixteen GaEu4Ga8 cuboctahedra, edges with two equivalent GaEu4Ga8 cuboctahedra, faces with four equivalent AgEu4Ga8 cuboctahedra, and faces with four equivalent GaEu4Ga4Ag4 cuboctahedra. In the fifth Ga site, Ga is bonded to four equivalent Eu and eight Ga atoms to form distorted GaEu4Ga8 cuboctahedra that share corners with four equivalent AgEu4Ga8 cuboctahedra, corners with twelve GaEu4Ga8 cuboctahedra, edges with two equivalent AgEu4Ga8 cuboctahedra, and faces with eight GaEu4Ga8 cuboctahedra.
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2021-01-15



