合成テンゲル石の結晶構造の精密化 A Refinement of the Crystal Structure of Synthetic Tengerite-(Y)

The crystal structure of synthetic equivalent of tengerite-(Y) has been refined in the anisotropic mode to R1=0.0253 for 469 independent reflections [I>2σ(I)] in an XRD data set for a single crystal of Y_2(CO_3)_3・2H_2O measured with CuKα radiation. The refined parameters for orthorhombic lattice with space group of Bb2_1m are a=6.0815(5), b=9.1596(9), c=15.0956(10)Å, V=840.89(12)Å^3, Z=4. The refinement confirms the previous analysis of crystal structure. The anisotropic displacement features of all non-hydrogen atoms have been clarified, and probable positions of hydrogen atoms of water molecule have been proposed.