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对产于内蒙白云鄂博晶态富Ti和Fe2+的硅钛铈矿族新矿物丁道衡矿Ce4Fe2+(Ti,Fe2+)2Ti2Si4O22进行了晶体结构的精测,求得晶胞参数:a=1.34656(15)nm,b=0.57356(6)nm,c=1.10977(12)nm,β=100.636(2)°,晶胞体积V=0.84239(16)nm3。单位晶胞中的分子数Z=2。晶体结构测定中分别用P21/a和C2/m空间群来进行晶体结构解析,解析表明,两种结构模型最终得到的R因子分别为0.026和0.021。两种结构精修后的原子坐标、键长键角都完全合理。根据结构分析及衍射数据消光规律统计认为,丁道衡矿的空间群应该为P21/a,而C2/m为赝对称空间群,结构属于具有C2/m赝对称的P21/a超结构,是一种超结构的新类型。
The crystal structure parameters of Ce4Fe2 + (Ti, Fe2 +) 2Ti2Si4O22, a new mineral of DingShengHeng ore, produced in BaiYunbo, Inner Mongolia, were calculated. The parameters of the unit cell were as follows: a = 1.34656 , b = 0.57356 (6) nm, c = 1.10977 (12) nm, β = 100.636 (2) ° and unit cell volume V = 0.84239 (16) nm3. The number of molecules per unit cell Z = 2. The crystal structures were determined by P21 / a and C2 / m space groups respectively. The analytical results showed that the final R factors of the two models were 0.026 and 0.021, respectively. After the completion of the two structures of the atomic coordinates, key length keys are entirely reasonable. According to the structure analysis and the law of extinction of diffraction data, the space group of Ding Daoheng mine should be P21 / a and C2 / m as pseudosymmetric space group, the structure belongs to the P21 / a superstructure with C2 / m pseudosymmetry A new type of superstructure.