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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >Crystal structure of the silicide phosphide Gd_4Co _(13)(Si, P)_9, the isotypic lanthanoid cobalt silicide phosphides Ln_4Co_(13)(Si, P)_9 (Ln = Sm, Tb, Dy, Ho, Er), and the uranium iron phosphide U_4Fe_(13)P _9
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Crystal structure of the silicide phosphide Gd_4Co _(13)(Si, P)_9, the isotypic lanthanoid cobalt silicide phosphides Ln_4Co_(13)(Si, P)_9 (Ln = Sm, Tb, Dy, Ho, Er), and the uranium iron phosphide U_4Fe_(13)P _9

机译：硅化物磷化物Gd_4Co _（13）（Si，P）_9，同型镧系钴硅化物磷化物Ln_4Co_（13）（Si，P）_9（Ln = Sm，Tb，Dy，Ho，Er）的晶体结构磷化铀铀U_4Fe_（13）P _9

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The title compounds crystallize with a new hexagonal structure type, which was determined from single-crystal diffractometer data of Gd_4Co _(13)(Si, P)_9: space group P 6m2, a = 1041.9(4) pm, c = 372.7(1) pm, Pearson symbol hP26. The structure was refined to a residual of R = 0.033 for 18 variable parameters and 190 structure factors. The silicon and phosphorus atoms (X) are located at three crystallographic positions with eight or nine metal neighbors forming capped trigonal prisms most likely with random occupancy. The gadolinium atoms occupy two sites, each with 6 X neighbors forming trigonal prisms. This coordination is augmented by 14 metal atoms (mostly cobalt atoms), thus increasing the coordination numbers of both gadolinium positions to 20. The four different cobalt atoms have 3, 4, or 5 X neighbors with 6 or 8 additional metal neighbors. The relative strengths of the chemical bonds correlate very well with the coordination numbers. The structure belongs to a large structural family with a metal to metalloid ratio of approximately 2:1, where all atoms are situated on two alternating mirror planes and most of the metalloid atoms (M, mainly silicon, phosphorus, and their homologues) with the coordination number 9 are situated in tricapped prisms of the metal atoms (R = large electropositive metals, mainly rare earth elements and actinoids; T = transition metals). It can be classified as the third member (n = 3) of a topological series R_((n-1))~2T_(n(n+2)-2)M_n~2, where the structures of WC and α-UCr_6P_4 (LiCo_6P_4) are the members with n = 1 and n = 2, respectively.
机译：由Gd_4Co _（13）（Si，P）_9的单晶衍射仪数据确定：空间组P 6m2，a = 1041.9（4）pm，c = 372.7（ 1）下午，Pearson符号hP26。对于18个可变参数和190个结构因子，将结构精炼为R = 0.033的残差。硅和磷原子（X）位于三个晶体学位置，八个或九个金属邻居形成加帽的三角棱柱，最有可能随机占据。 atoms原子占据两个位置，每个位置有6个X邻居形成三角棱镜。通过14个金属原子（主要是钴原子）增强这种配位，从而将两个positions位置的配位数都增加到20。四个不同的钴原子具有3、4或5个X邻居，以及6或8个其他金属邻居。化学键的相对强度与配位数非常相关。该结构属于金属与准金属之比约为2：1的大型结构族，其中所有原子都位于两个交替的镜像平面上，并且大多数准金属原子（M，主要是硅，磷及其同系物）与配位数9位于金属原子的三棱柱中（R =大型正电金属，主要是稀土元素和and系元素; T =过渡金属）。可以将其分类为拓扑序列R _（（n-1））〜2T_（n（n + 2）-2）M_n〜2的第三成员（n = 3），其中WC和α-UCr_6P_4的结构（LiCo_6P_4）分别是n = 1和n = 2的成员。

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