CRYSTAL STRUCTURE OF DICALCIUM NITRIDE
CRYSTAL STRUCTURE OF DICALCIUM NITRIDE
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DOI：
10.1021/ic50067a014
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发表时间：
1968-01-01
影响因子：
4.6
通讯作者：
SKAPSKI, AC
中科院分区：
文献类型：
--
作者：
KEVE, ET;SKAPSKI, AC
化学计量 Ca2N 氮化物的结构已由单晶 X 射线数据确定。氮化二钙是菱面体，晶胞尺寸a= 6.603 Á，a= 31 59'，Dm= 2.17 g cm-3，Z= 1，X> 0= 2.18 g cm-3，空间群为R3m。对于 71 个目视估计的反射，全矩阵最小二乘细化已达到 R= 0.13。 Ca2N具有抗CdCh型层状结构。这些层之间的距离很远，它们最接近的 Ca-Ca 距离为 4.35 A，远大于金属中的距离。氮原子位于层内的对称中心，并具有扭曲的八面体配位。 Ca2N 的电性能与结构的关系并参考其他 M2X 化合物进行了讨论。
The structure of a nitride ofthe stoichiometry Ca2N has been determinedfrom single-crystal X-ray data. Dicalcium nitride is rhombohedral with unit-cell dimensions a= 6.603 Á, a= 31 59', Dm= 2.17 g cm-3, Z= 1, X> 0= 2.18 g cm-3, the space group being R3m. Full-matrix least-squares refinement has reached R= 0.13 for 71 visually estimated reflections. Ca2N has a layer structure of the anti-CdCh type. The layers are widely separated, their closest approach being a Ca-Ca distance of 4.35 A, much larger than those in the metal. The nitrogen atoms lie at centers of symmetry, within the layers, and have distorted octahedral coordination. The electrical properties of Ca2N are discussed inrelationship to the structure and with reference to other M2X compounds.