Materials Data on CeGa2Cu3 by Materials Project

CeCu3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to ten Cu and eight equivalent Ga atoms. There are a spread of Ce–Cu bond distances ranging from 2.99–3.38 Å. All Ce–Ga bond lengths are 3.33 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Ce, four equivalent Cu, and four equivalent Ga atoms to form distorted CuCe4Ga4Cu4 cuboctahedra that share corners with eight equivalent CuCe4Ga4Cu4 cuboctahedra, corners with eight equivalent GaCe4Ga2Cu6 cuboctahedra, edges with two equivalent CuCe4Ga4Cu4 cuboctahedra, edges with eight equivalent GaCe4Ga2Cu6 cuboctahedra, faces with two equivalent CuCe4Ga4Cu4 cuboctahedra, and faces with eight equivalent GaCe4Ga2Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.55 Å. All Cu–Ga bond lengths are 2.59 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce, two equivalent Cu, and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.60 Å. Ga is bonded to four equivalent Ce, six Cu, and two equivalent Ga atoms to form GaCe4Ga2Cu6 cuboctahedra that share corners with four equivalent CuCe4Ga4Cu4 cuboctahedra, corners with twelve equivalent GaCe4Ga2Cu6 cuboctahedra, edges with four equivalent CuCe4Ga4Cu4 cuboctahedra, edges with six equivalent GaCe4Ga2Cu6 cuboctahedra, faces with four equivalent CuCe4Ga4Cu4 cuboctahedra, and faces with six equivalent GaCe4Ga2Cu6 cuboctahedra. Both Ga–Ga bond lengths are 2.65 Å.

CeCu₃Ga₂晶体属于正交晶系（orthorhombic）Cmmm空间群，其结构为三维结构。Ce原子以六配位几何构型与10个Cu原子和8个等价的Ga原子成键。Ce-Cu键长分布在2.99–3.38 Å之间，所有Ce-Ga键的长度均为3.33 Å。存在两个不等价的Cu位点。在第一个Cu位点中，Cu原子与4个等价的Ce原子、4个等价的Cu原子和4个等价的Ga原子成键，形成扭曲的CuCe₄Ga₄Cu₄立方八面体；这些立方八面体与8个等价的CuCe₄Ga₄Cu₄立方八面体共享顶点，与8个等价的GaCe₄Ga₂Cu₆立方八面体共享顶点，与2个等价的CuCe₄Ga₄Cu₄立方八面体共享边，与8个等价的GaCe₄Ga₂Cu₆立方八面体共享边，与2个等价的CuCe₄Ga₄Cu₄立方八面体共享面，并与8个等价的GaCe₄Ga₂Cu₆立方八面体共享面。所有Cu-Cu键的长度均为2.55 Å，所有Cu-Ga键的长度均为2.59 Å。在第二个Cu位点中，Cu原子以十二配位几何构型与3个等价的Ce原子、2个等价的Cu原子和4个等价的Ga原子成键。Ga原子与4个等价的Ce原子、6个Cu原子和2个等价的Ga原子成键，形成GaCe₄Ga₂Cu₆立方八面体；这些立方八面体与4个等价的CuCe₄Ga₄Cu₄立方八面体共享顶点，与12个等价的GaCe₄Ga₂Cu₆立方八面体共享顶点，与4个等价的CuCe₄Ga₄Cu₄立方八面体共享边，与6个等价的GaCe₄Ga₂Cu₆立方八面体共享边，与4个等价的CuCe₄Ga₄Cu₄立方八面体共享面，并与6个等价的GaCe₄Ga₂Cu₆立方八面体共享面。所有Ga-Ga键的长度均为2.65 Å。