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Three of a kind? The non-isotypic triple CsCe[P2Se6], CsSm[P2Se6] and CsEr[P2Se6]
Zeitschrift für Naturforschung B ( IF 0.8 ) Pub Date : 2020-11-26 , DOI: 10.1515/znb-2020-0148
Beate M. Schulz 1 , Pia L. Lange 1 , Thomas Schleid 1
Affiliation  

Abstract Three new compounds of the CsLn[P2Se6] family with Ln = Ce, Sm and Er have been prepared and structurally characterized. Plate-shaped, amber-colored single crystals of these cesium lanthanoid(III) hexaselenodiphosphates(IV) were obtained by heating stoichiometric amounts of Ln, P and Se with CsCl as a reactive flux in fused silica ampoules at 800 °C for four days. CsCe[P2Se6] crystallizes monoclinically in space group P21/c with a = 1297.86(9), b = 776.24(5), c = 1198.43(8) pm, β = 106.589(3)° and Z = 4. The structure is isotypic with that of KLa[P2Se6], the Cs+ cations being ten-fold coordinated by selenium atoms to form double layers of condensed [CsSe10]19− polyhedra. Ce3+ resides in a nine-fold coordination and the [CeSe9]15− polyhedra also form double layers parallel to (100). CsSm[P2Se6] crystallizes in the orthorhombic space group P212121 with a = 688.67(5), b = 754.48(5), c = 2215.21(15) pm and Z = 4. Its structure is isotypic with that of KY[P2Se6] and the Cs+ cations reside in an eleven-fold coordination of selenium atoms constituting monolayers of condensed [CsSe11]21− polyhedra within the (001) plane. Sm3+ exhibits an eight-fold coordination sphere of selenium atoms and the [SmSe8]13− polyhedra are also linked to build up parallel monolayers. CsEr[P2Se6] crystallizes in the monoclinic space group P21/c again, but forms its own structure type with the lattice parameters a = 753.81(5), b = 1281.92(9), c = 1276.47(9) pm and β = 106.898(3)° and Z = 4. The Cs+ cations are twelve-fold coordinated by selenium atoms and erects a three-dimensional framework of condensed [CsSe12]23− polyhedra. The Er3+ cations show seven selenium atoms as neighbors and the [ErSe7]11− polyhedra are edge-connected to form discrete dimers [Er2Se12]18−. All three structures have similar ethane-like [P2Se6]4– anions in staggered conformation with bond lengths of 219–226 pm for d(P1–P2) and 213–222 pm for d(P–Se), which connect the Cs+ and Ln 3+ coordination polyhedra into three-dimensional crystal structures.

中文翻译:

三种?非同型三重 CsCe[P2Se6]、CsSm[P2Se6] 和 CsEr[P2Se6]

摘要 制备了三种新的 CsLn[P2Se6] 族化合物,其中 Ln = Ce、Sm 和 Er,并对其进行了结构表征。这些镧系元素 (III) 六硒代二磷酸 (IV) 的板状琥珀色单晶是通过将化学计量量的 Ln、P 和 Se 与 CsCl 作为反应熔剂在熔融石英安瓿中在 800 °C 下加热四天而获得的。CsCe[P2Se6] 在空间群 P21/c 中单斜结晶,a = 1297.86(9), b = 776.24(5), c = 1198.43(8) pm, β = 106.589(3)°, Z = 4。结构为与 KLa[P2Se6] 同型,Cs+ 阳离子被硒原子十倍配位,形成双层 [CsSe10]19− 多面体。Ce3+ 位于九重配位中,[CeSe9]15- 多面体也形成与 (100) 平行的双层。CsSm[P2Se6] 在正交空间群 P212121 中结晶,a = 688.67(5), b = 754.48(5), c = 2215.21(15) pm 和 Z = 4。其结构与 KY[P2Se6] 结构同型Cs+ 阳离子位于硒原子的 11 倍配位中,构成 (001) 平面内凝聚的 [CsSe11]21- 多面体的单层。Sm3+ 表现出硒原子的八倍配位球,[SmSe8]13- 多面体也连接起来形成平行的单层。CsEr[P2Se6] 再次在单斜空间群 P21/c 中结晶,但形成自己的结构类型,晶格参数为 a = 753.81(5), b = 1281.92(9), c = 1276.47(9) pm 和 β = 106.898 (3)° 和 Z = 4。Cs+ 阳离子由硒原子配位为 12 倍,并建立了一个由 [CsSe12]23- 多面体稠合的三维框架。Er3+ 阳离子显示七个硒原子作为邻居,[ErSe7]11- 多面体边缘连接形成离散的二聚体 [Er2Se12]18-。所有三种结构都具有类似的乙烷样 [P2Se6]4- 阴离子,呈交错构象,d(P1-P2) 的键长为 219-226 pm,d(P-Se) 的键长为 213-222 pm,将 Cs+ 和Ln 3+ 配位多面体转化为三维晶体结构。
更新日期:2020-11-26
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