The title compound Cu3PSe4 was synthesized by the reaction of CuCl, P2Se5 and Se in a molar ratio of 1:1:1 at 500 C and structurally characterized by X-ray crystallography. The crystal belongs to orthorhombic, space g...The title compound Cu3PSe4 was synthesized by the reaction of CuCl, P2Se5 and Se in a molar ratio of 1:1:1 at 500 C and structurally characterized by X-ray crystallography. The crystal belongs to orthorhombic, space group Pmn21 with cell parameters: a = 7.685(2), b = 6.656(1), c = 6.377(1) , V = 326.2(1) 3, Z = 2, Dc = 5.472 g/cm3, Mr = 537.43, F(000) = 476, m = 32.12 mm-1, R = 0.0642, wR = 0.1481 and S = 1.037. The 3-D structure can be regarded as constructed from the alternately stacking of [Cu(2)Se4] tetrahedral layers and Cu(1)PSe tetrahedral layers along the b direction, in which the Cu(2)Se layer is comprised of corner-sharing [Cu(2)Se4] tetrahedra along the a and c directions, and the Cu(1)PSe layer is consisted of alternately corner-sharing [Cu(1)Se4] tetrahedra and [PSe4] tetrahedra along the a and c directions.展开更多
The title compound Ag3PSe4 was synthesized by the reaction of Ag powder, P2Se5 and Se in a molar ratio of 1:1:1 at 500 C and structurally characterized by X-ray crystallography. The crystal belongs to orthorhombic, sp...The title compound Ag3PSe4 was synthesized by the reaction of Ag powder, P2Se5 and Se in a molar ratio of 1:1:1 at 500 C and structurally characterized by X-ray crystallography. The crystal belongs to orthorhombic, space group Pmn21 with cell parameters: a = 7.689(4), b = 6.660(3), c = 6.379(4) , V = 326.7(3) 3, Z = 2, Dc = 6.816 g/cm3, Mr = 670.42, F(000) = 584, m = 31.302 mm-1, R = 0.0606, wR = 0.1289 and S = 1.012. The 3-D structure can be regarded as constructed from the stacking of puckered AgPSe honeycomb-like sheets along the c direction, in which the Ag, P and Se atoms are bonded to each other to form a chair-like six-membered ring, and the rings then build the sheets by sharing edges.展开更多
基金This work was supported by the National Natural Science Foundation of China (20001007 20131020) Natural Science Foundation of the Chinese Academy of Sciences (KJCX2-H3) and Fujian Province (2000F006)
文摘The title compound Cu3PSe4 was synthesized by the reaction of CuCl, P2Se5 and Se in a molar ratio of 1:1:1 at 500 C and structurally characterized by X-ray crystallography. The crystal belongs to orthorhombic, space group Pmn21 with cell parameters: a = 7.685(2), b = 6.656(1), c = 6.377(1) , V = 326.2(1) 3, Z = 2, Dc = 5.472 g/cm3, Mr = 537.43, F(000) = 476, m = 32.12 mm-1, R = 0.0642, wR = 0.1481 and S = 1.037. The 3-D structure can be regarded as constructed from the alternately stacking of [Cu(2)Se4] tetrahedral layers and Cu(1)PSe tetrahedral layers along the b direction, in which the Cu(2)Se layer is comprised of corner-sharing [Cu(2)Se4] tetrahedra along the a and c directions, and the Cu(1)PSe layer is consisted of alternately corner-sharing [Cu(1)Se4] tetrahedra and [PSe4] tetrahedra along the a and c directions.
基金This work was supported by the National Natural Science Foundation of China (20001007 20131020) Natural Science Foundation of the Chinese Academy of Sciences (KJCX2-H3) and Fujian province (2000F006)
文摘The title compound Ag3PSe4 was synthesized by the reaction of Ag powder, P2Se5 and Se in a molar ratio of 1:1:1 at 500 C and structurally characterized by X-ray crystallography. The crystal belongs to orthorhombic, space group Pmn21 with cell parameters: a = 7.689(4), b = 6.660(3), c = 6.379(4) , V = 326.7(3) 3, Z = 2, Dc = 6.816 g/cm3, Mr = 670.42, F(000) = 584, m = 31.302 mm-1, R = 0.0606, wR = 0.1289 and S = 1.012. The 3-D structure can be regarded as constructed from the stacking of puckered AgPSe honeycomb-like sheets along the c direction, in which the Ag, P and Se atoms are bonded to each other to form a chair-like six-membered ring, and the rings then build the sheets by sharing edges.
