Atomic-level structure characterization is central to the science and engineering of materials. However, the crystal structure determination of magic-sized nanoclusters (MSCs), typical nuclei of the semiconductor nanocrystals, is impeded by challenges in obtaining phase-pure MSCs. Herein, we report on the synthesis and X-ray crystal structure of ∼0.9-nanometer-sized 27-atom semiconductor MSC, Cd₁₄Se₁₃. Its structure has a central Se atom encapsulated by a Cd₁₄Se₁₂ cage with an adamantane-like CdSe arrangement. Two chloride ions released in situ from the dichloromethane solvent stabilize and linearly self-assemble the clusters. The formation and growth pathways of Cd₁₄Se₁₃ clusters provide vital insights into the size-structure-property relationships in MSCs. Furthermore, potential sites for magnetic dopants are identified in Cd₁₄Se₁₃ MSC, enabling research on atomically precise dilute magnetic semiconductors.

原子级结构表征是材料科学和工程的核心。然而，神奇大小的纳米团簇 (MSCs)（半导体纳米晶体的典型核）的晶体结构测定受到获得相纯 MSCs 的挑战的阻碍。_{在此，我们报道了~0.9纳米大小的27原子半导体MSC，Cd 14} Se ₁₃的合成和X射线晶体结构。它的结构有一个中心硒原子，它被一个具有金刚烷状CdSe排列的Cd ₁₄ Se _{12笼所包裹。}从二氯甲烷溶剂中原位释放的两个氯离子稳定并线性自组装簇。_{Cd 14} Se的形成和生长途径_{13 个}集群提供了对 MSC 中大小-结构-特性关系的重要见解。此外，在 Cd ₁₄ Se ₁₃ MSC 中确定了磁性掺杂剂的潜在位点，从而能够研究原子级精确的稀磁半导体。