Karau Friedrich W, Seyfarth Lena, Oeckler Oliver, Senker Jürgen, Landskron Kai, Schnick Wolfgang
Department Chemie und Biochemie, Ludwig-Maximilians-Universität München, Butenandtstrasse 5-13 (D), 81377 München, Germany.
Chemistry. 2007;13(24):6841-52. doi: 10.1002/chem.200700216.
SrP2N4 was obtained by high-pressure high-temperature synthesis utilizing the multianvil technique (5 GPa, 1400 degrees C) starting from mixtures of phosphorus(V) nitride and strontium azide. SrP2N4 turned out to be isotypic with BaGa(2)O(4) and is closely related to KGeAlO(4). The crystal structure (SrP2N4, a=17.1029(8), c=8.10318(5) A, space group P6(3) (no. 173), V=2052.70(2) A3, Z=24, R(F2)=0.0633) was solved from synchrotron powder diffraction data by applying a combination of direct methods, Patterson syntheses, and difference Fourier maps adding the unit cell information derived from electron diffraction and symmetry information obtained from 31P solid-state NMR spectroscopy. The structure of SrP2N4 was refined by the Rietveld method by utilizing both neutron and synchrotron X-ray powder diffraction data, and has been corroborated additionally by 31P solid-state NMR spectroscopy by employing through-bond connectivities and distance relations.
SrP2N4是通过多砧技术（5吉帕斯卡，1400摄氏度）高压高温合成法，以氮化磷（V）和叠氮化锶的混合物为原料制得。结果表明，SrP2N4与BaGa(2)O(4)同型，且与KGeAlO(4)密切相关。晶体结构（SrP2N4，a = 17.1029(8)，c = 8.10318(5) Å，空间群P6(3)（编号173），V = 2052.70(2) ų，Z = 24，R(F2) = 0.0633）是通过结合直接法、帕特森合成法和差值傅里叶图，从同步辐射粉末衍射数据中解析得到的，其中加入了由电子衍射得出的晶胞信息以及从31P固体核磁共振光谱获得的对称性信息。SrP2N4的结构通过里特韦尔德方法利用中子和同步辐射X射线粉末衍射数据进行了精修，并且通过31P固体核磁共振光谱利用键连性和距离关系进一步得到了证实。
