DETERMINATION AND REFINEMENT OF THE CRYSTAL STRUCTURE OF CHAIDAMUITE  

作　　者：李万茂 王奇光 

机构地区：[1]Department of Geology, Lanzhou University, Lanzhou 730001, PRC [2]Analysis and Testing Centre, Lanzhou University, Lanzhou 730001, PRC

出　　处：《Science China Chemistry》1990年第5期623-630,共8页中国科学（化学英文版）

摘　　要：Chaidamuite (ZnFe(SO_4)_2(OH). 4H_2O), which is a new sulphate mineral, belongs to the triclinic system, space group P1, with the cell parameters corrected by the least-squares method: a=7.309(2), b=7.202(2), c=9.691(3), α=89.64(3), β=105.89(3), γ=91.11(2)°, Z=2. The crystal structure has been determined by the Patterson method and Fourier syntheses and refined by the full-matrix least-squares method to an R factor of 0.032, using 2833 independent reflections. In the structure, a zigzag chain consists of [Fe(1)O_5(OH)] and [Fe(2)O_5(OH)] octahedra sharing the OH corners, and an octahedral-tetrahedral chain running parallel to the b axis consists of the zigzag chain of Fe octahedra and (SO_4) tetrahedra sharing four pairs of octahedral corners on either side of the zigzag chains. These chains are cross-linked by the isolated [Zn(1)O_2(H_2O)_4] and [Zn(2)O_2(H_2O)_4] octahedra into corrugated sheets parallel to the (100) plane. Adjacent sheets are hydrogenbonded through water molecules.Chaidamuite （ZnFe（SO₄）₂（OH）. 4H₂O）, which is a new sulphate mineral, belongs to the triclinic system, space group P1, with the cell parameters corrected by the least-squares method: a=7.309（2）, b=7.202（2）, c=9.691（3）, α=89.64（3）, β=105.89（3）, γ=91.11（2）°, Z=2. The crystal structure has been determined by the Patterson method and Fourier syntheses and refined by the full-matrix least-squares method to an R factor of 0.032, using 2833 independent reflections. In the structure, a zigzag chain consists of [Fe（1）O₅（OH）] and [Fe（2）O₅（OH）] octahedra sharing the OH corners, and an octahedral-tetrahedral chain running parallel to the b axis consists of the zigzag chain of Fe octahedra and （SO₄） tetrahedra sharing four pairs of octahedral corners on either side of the zigzag chains. These chains are cross-linked by the isolated [Zn（1）O₂（H₂O）₄] and [Zn（2）O₂（H₂O）₄] octahedra into corrugated sheets parallel to the （100） plane. Adjacent sheets are hydrogenbonded through water molecules.

关 键 词：Chaidamuite CRYSTAL STRUCTURE TRICLINIC P1. 

分 类 号：O6[理学—化学]