Materials Data on SrMg by Materials Project

SrMg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to three equivalent Sr and five Mg atoms. There are one shorter (3.93 Å) and two longer (4.10 Å) Sr–Sr bond lengths. There are a spread of Sr–Mg bond distances ranging from 3.55–3.67 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to seven Sr and six Mg atoms. There are a spread of Sr–Sr bond distances ranging from 3.91–4.08 Å. There are a spread of Sr–Mg bond distances ranging from 3.69–4.04 Å. In the third Sr site, Sr is bonded in a 12-coordinate geometry to two equivalent Sr and six Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.64–3.74 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 9-coordinate geometry to six Sr and three Mg atoms. There are one shorter (3.13 Å) and two longer (3.30 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 9-coordinate geometry to six Sr and three Mg atoms. Both Mg–Mg bond lengths are 3.21 Å. In the third Mg site, Mg is bonded in a distorted q6 geometry to five Sr and four Mg atoms.

SrMg化合物以单斜晶系Cm空间群（monoclinic Cm space group）结晶。其结构为三维空间结构。体系中存在三个非等价的锶（Sr）晶位。在第一个锶晶位中，锶原子采用12配位几何构型，与三个等价的锶原子和五个镁（Mg）原子成键。Sr-Sr键长存在差异：一根较短的键长为3.93埃（Å），另外两根较长的键长为4.10埃。Sr-Mg键的键长分布范围为3.55~3.67埃。在第二个锶晶位中，锶原子采用6配位几何构型，与七个锶原子和六个镁原子成键。Sr-Sr键的键长分布范围为3.91~4.08埃，Sr-Mg键的键长分布范围为3.69~4.04埃。在第三个锶晶位中，锶原子采用12配位几何构型，与两个等价的锶原子和六个镁原子成键。Sr-Mg键的键长分布范围为3.64~3.74埃。体系中存在三个非等价的镁晶位。在第一个镁晶位中，镁原子采用9配位几何构型，与六个锶原子和三个镁原子成键。Mg-Mg键长存在差异：一根较短的键长为3.13埃，另外两根较长的键长为3.30埃。在第二个镁晶位中，镁原子采用9配位几何构型，与六个锶原子和三个镁原子成键，两条Mg-Mg键的键长均为3.21埃。在第三个镁晶位中，镁原子采用畸变的q6配位几何构型，与五个锶原子和四个镁原子成键。