首页 | 本学科首页   官方微博 | 高级检索  
相似文献
 共查询到20条相似文献,搜索用时 500 毫秒
1.
The gallide Yb6Ir5Ga7 was synthesized by high‐frequency melting of the elements in a sealed niobium ampoule. The structure was refined from single‐crystal X‐ray diffractometer data: Nb6.4Ir4Al7.6 type, P63/mcm, a = 930.4(1), c = 843.0(1) pm, wR2 = 0.0597, 379 F2 values and 22 variables. Yb6Ir5Ga7 adopts a superstructure of the MgZn2 Laves phase by a complete ordering of the iridium and gallium atoms on the zinc substructure, i.e. the network consists of ordered and condensed Ir3Ga and IrGa3 tetrahedra with Ir–Ga distances ranging from 260 to 265 pm. The crystal chemical details and the underlying group‐subgroup scheme are discussed.  相似文献   

2.
The rare earth ruthenium gallides Ln2Ru3Ga5 (Ln = La, Ce, Pr, Nd, Sm) were prepared by arc‐melting of cold‐pressed pellets of the elemental components. They crystallize with a tetragonal structure (P4/mnc, Z = 4) first reported for U2Mn3Si5. The crystal structures of the cerium and samarium compounds were refined from single‐crystal X‐ray data, resulting in significant deviations from the ideal compositions: Ce2Ru2.31(1)Ga5.69(1), a = 1135.10(8) pm, c = 580.58(6) pm, RF = 0.022 for 742 structure factors; Sm2Ru2.73(2)Ga5.27(2), a = 1132.95(9) pm, c = 562.71(6) pm, RF = 0.026 for 566 structure factors and 32 variable parameters each. The deviations from the ideal compositions 2:3:5 are discussed. A mixed Ru/Ga occupancy occurs only for one atomic site. The displacement parameters are relatively large for atoms with mixed occupancy within their coordination shell and small for atoms with no neighboring sites of mixed occupancy. Chemical bonding is analyzed on the basis of interatomic distances. Ln–Ga bonding is stronger than Ln–Ru bonding. Ru–Ga bonding is strong and Ru–Ru bonding is weak. The Ga–Ga interactions are of similar strength as in elemental gallium.  相似文献   

3.
New intermetallic rare earth iridium silicides Sm3Ir2Si2, HoIrSi, and YbIrSi were synthesized by reaction of the elements in sealed tantalum tubes in a high‐frequency furnace. The compounds were investigated by X‐ray diffraction both on powders and single crystals. HoIrSi and YbIrSi crystallize in a TiNiSi type structure, space group Pnma: a = 677.1(1), b = 417.37(6), c = 745.1(1) pm, wR2 = 0.0930, 340 F2 values for HoIrSi, and a = 667.2(2), b = 414.16(8), c = 742.8(2) pm, wR2 = 0.0370, 262 F2 values for YbIrSi with 20 parameters for each refinement. The iridium and silicon atoms build a three‐dimensional [IrSi] network in which the holmium(ytterbium) atoms are located in distorted hexagonal channels. Short Ir–Si distances (246–256 pm in YbIrSi) are indicative for strong Ir–Si bonding. Sm3Ir2Si2 crystallizes in a site occupancy variant of the W3CoB3 type: Cmcm, a = 409.69(2), b = 1059.32(7), c = 1327.53(8) pm, wR2 = 0.0995, 383 F2 values and 27 variables. The Ir1, Ir2, and Si atoms occupy the Co, B2, and B1 positions of W3CoB3, leading to eight‐membered Ir4Si4 rings within the puckered two‐dimensional [IrSi] network. The Ir–Si distances range from 245 to 251 pm. The [IrSi] networks are separated by the samarium atoms. Chemical bonding in HoIrSi, YbIrSi, and Sm3Ir2Si2 is briefly discussed.  相似文献   

4.
Polycrystalline samples of the isotypic quaternary compounds RENi2Ga3In (RE = Y, Gd – Tm) were obtained by arc‐melting of the elements. Crystals of the gadolinium compound were found by slow cooling of an arc‐melted button of the initial composition “GdNiGa3In”. All samples were characterized by powder X‐ray diffraction. The structure of GdNi2Ga2.89In1.11 was refined from single‐crystal X‐ray diffractometer data: new type, Pnma, a = 2426.38(7), b = 418.17(2), c = 927.27(3) pm, wR2 = 0.0430, 1610 F2 values and 88 variables. Two of the six crystallographically independent gallium sites show a small degree of Ga/In mixing. The nickel atoms show tricapped trigonal prismatic coordination by gadolinium, gallium, and indium. Together, the nickel, gallium, and indium atoms build up a complex three‐dimensional [Ni2Ga3In]δ network, which leaves cages for the gadolinium atoms. The indium atoms form zigzag chains with In–In distances of 337 pm. The crystal chemical similarities of the polyhedral packing in the GdNi2Ga3In and La4Pd10In21 structures are discussed.  相似文献   

5.
The rare earth‐rich compounds RE23Rh7Mg4 (RE = La, Ce, Pr, Nd, Sm, Gd) were prepared by induction‐melting the elements in sealed tantalum tubes. The new compounds were characterized by X‐ray powder diffraction. They crystallize with the hexagonal Pr23Ir7Mg4 type structure, space group P63mc. The structures of La23Rh7Mg4 (a = 1019.1(1), c = 2303.7(4) pm, wR2 = 0.0827, 1979 F2 values, 69 variables), Nd23Rh7Mg4 (a = 995.4(2), c = 2242.3(5) pm, wR2 = 0.0592, 2555 F2 values, 74 variables) and Gd23Rh6.86(5)Mg4 (a = 980.5(2), c = 2205.9(5) pm, wR2 = 0.0390, 2083 F2 values, 71 variables) were refined from single crystal X‐ray diffractometer data. The three crystallographically different rhodium atoms have trigonal prismatic rare earth coordination with short RE–Rh distances (283–300 pm in Nd23Rh7Mg4). The prisms are condensed via common edges, leading to a rigid three‐dimensional network in which isolated Mg4 tetrahedra (312–317 pm Mg–Mg in Nd23Rh7Mg4) are embedded. Temperature dependent magnetic susceptibility data of Ce23Rh7Mg4 indicate Curie‐Weiss behavior with an experimental magnetic moment of 2.52(1) μB/Ce atom, indicative for stable trivalent cerium. Antiferromagnetic ordering is evident at 2.9 K.  相似文献   

6.
Preparation and Crystal Structures of the Compounds Ca3Pd2Ga2, Ca3Pt2Ga2, Ca3Rh2Ga3, and Ca3Ir2Ga3 The new compounds Ca3Pd2Ga2, Ca3Pt2Ga2, Ca3Rh2Ga3, and Ca3Ir2Ga3 were prepared by heating appropriate mixtures of the elements under an Argon-atmosphere. The results of the structure analysis of single crystals by means of X-ray diffraction are given in the section “Inhaltsübersicht”. Ca3Pd2Ga2 and Ca3Pt2Ga2 are isotypic and form the Y3Rh2Si2 type structure (Pbcm), where the platinium metals have a trigonal environment consisting of Ga-atoms. The isotypic compounds Ca3Rh2Ga3 and Ca3Ir2Ga3 (Pbcm) form a new type of structure, which is related to the Y3Rh2Si2 type with a distorted tetrahedral surrounding of Ga-atoms for Rh (resp. Ir).  相似文献   

7.
The twelve isotypic intermetallic compounds R2Ru3Ga9 with R = Y, La–Nd, Sm, Gd–Tm were prepared by arc‐melting of the elemental components. Their crystal structure was determined from single‐crystal X‐ray data of Dy2Ru3Ga9: Cmcm, a = 1279.3(2) pm, b = 755.6(1) pm, c = 964.7(1) pm, Z = 4, R = 0.020 for 671 structure factors and 42 variable parameters. All atomic positions have within two standard deviations ideal occupancies (occupancy values vary between 98.8(5) and 101.2(6)%). The structure is briefly discussed, emphasizing its relation to other structures with a high content of gallium or aluminum.  相似文献   

8.
Single crystals of SrIr9In18 were obtained by induction melting of the elements in a glassy carbon crucible followed by annealing at 1070 K. SrIr9In18 was structurally characterized by X-ray powder and single crystal diffraction: P4 m2, a = 811.21(5), c = 854.49(5) pm, wR2 = 0.0511, 1223 F2 values, and 46 variables. The structure is of a new type. The basic building units are Ir@In8 (distorted square-prismatic, square anti-prismatic and bicapped trigonal prismatic coordination) and Ir@In9 (distorted trigonal prismatic coordination) polyhedra, which condense to a three-dimensional network, which leaves large cavities for the strontium cations, which are coordinated to four iridium and twelve indium atoms. The [Ir9In18]2– polyanionic network is stabilized through Ir–In (267–290 pm) and In–In (302–354 pm) bonding.  相似文献   

9.
Larger single crystals of Yb4Rh7Ge6 and Yb4Ir7Ge6 were prepared from arc‐melted precursor alloys Rh7Ge6 and Ir7Ge6 and elemental ytterbium via the Bridgman method using tungsten crucibles. Yb4Rh7Ge6 and Yb4Ir7Ge6 were investigated by X‐ray diffraction on powders and single crystals. Both germanides crystallize with the cubic U4Re7Si6 type structure, space group Im3m. Structure refinement from X‐ray single crystal diffractometer data yielded a = 825.3(1) pm, wR2 = 0.0292, 106 F2 values, 10 variable parameters for Yb4Rh7Ge6 and a = 826.6(2) pm, wR2 = 0.0486, 150 F2 values, 10 variable parameters for Yb4Ir7Ge6. The structures contain two crystallographically independent transition metal (T) atoms with octahedral (T1) and tetrahedral (T2) germanium coordination. The octahedra and tetrahedra are condensed via common corners and edges forming complex three‐dimensional [T7Ge6] networks in which the trivalent ytterbium atoms fill voids of coordination number 14.  相似文献   

10.
The quaternary germanides RE3TRh4Ge4 (RE = Ce, Pr, Nd; T = Nb, Ta) were synthesized from the elements by arc‐melting and subsequent annealing in a muffle furnace. The structure of Ce3TaRh4Ge4 was refined from single‐crystal X‐ray diffractometer data: new type, Pbam, a = 719.9(2), b = 1495.0(3), c = 431.61(8), wR2 = 0.0678, 1004 F2 values, and 40 variables. Isotypy of the remaining phases was evident from X‐ray powder patterns. Ce3TaRh4Ge4 is a new superstructure variant of the aristotype AlB2 with an ordering of cerium and tantalum on the aluminum site, whereas the honey‐comb network is built up by a 1:1 ordering of rhodium and germanium. This crystal‐chemical relationship is discussed based on a group‐subgroup scheme. The distinctly different size of tantalum and cerium leads to a pronounced puckering of the [Rh4Ge4] network, which shows the shortest interatomic distances (253–271 pm Rh–Ge) within the Ce3TaRh4Ge4 structure. Another remarkable structural feature concerns the tantalum coordination with six shorter Ta–Rh bonds (265–266 pm) and six longer Ta–Ge bonds (294–295 pm). The [Rh4Ge4] network fully separates the tantalum and cerium atoms (Ce–Ce > 387 pm, Ta–Ta > 431 pm, and Ce–Ta > 359 pm). The electronic density of states DOS from DFT calculations show metallic behavior with large contributions of localized Ce 4f as well as itinerant ones from all constituents at the Fermi level but no significant magnetic polarization on Ce could be identified. The bonding characteristics described based on overlap populations illustrate further the crystal chemistry observations of the different coordination of Ce1 and Ce2 in Ce3TaRh4Ge4. The Rh–Ge interactions within the network are highlighted as dominant. The bonding magnitudes follow the interatomic distances and identify differences of Ta bonding vs. Ce1/Ce2 bonding with the Rh and Ge substructures.  相似文献   

11.
The rare earth borides RERu4B4 (RE = Ce, Pr, Nd, Sm) were synthesized from the elements by arc‐melting and their crystal structures were studied on the basis of X‐ray powder and single‐crystal diffraction: LuRu4B4 type, I41/acd, a = 747.47(8), c = 1506.4(3) pm, wR2 = 0.0579, 362 F2 values for CeRu4B4, a = 751.3(2), c = 1507.1(5) pm, wR2 = 0.0724, 471 F2 values for PrRu4B4, a = 751.0(2), c = 1506.9(6) pm, wR2 = 0.0598, 384 F2 values for NdRu4B4, and a = 749.1(1), c = 1506.0(3) pm, wR2 = 0.0759, 413 F2 values for SmRu4B4, with 18 variables per refinement. Striking structural motifs of the RERu4B4 structures are Ru4 tetrahedra and B2 dumbbells with Ru–Ru and B–B distances of 271 and 180 pm in CeRu4B4. The intermediate valence of cerium leads to shorter Ce–Ru distances of 292 pm. CeRu4B4 behaves like a Pauli paramagnet with a small room temperature susceptibility of 1.5 × 10–4 emu · mol–1. Chemical bonding analyses shows substantial Ru–B and B–B bonding within the [Ru4B4] substructure.  相似文献   

12.
Bi9Rh2Br3, Bi9Rh2I3, and Bi9Ir2I3 – A New Structure Family of Quasi One‐dimensional Metals Bi9Rh2Br3, Bi9Rh2I3, and Bi9Ir2I3 were synthesized from the elements using niobium bromides or iodides as auxiliaries to modify the partial pressures in the course of the reaction. X‐ray diffraction on single crystals showed that the compounds are not isomorphous. However they have a common structural principle: strands of condensed [MBi8] polyhedra, which are separated by halide anions. The spatial arrangement of the [MBi1/1Bi7/2] strands differs with the combination of elements: In Bi9Rh2I3 (monoclinic, P21/m (no. 11), a = 775.6(1), b = 1374.9(2), c = 901.1(2) pm, β = 109.29(2)°) all strands are oriented parallel to each other. Bi9Rh2Br3 (monoclinic, P21/m (no. 11), a = 927.98(8), b = 1372.1(1), c = 1992.7(2) pm, β = 100.77(1)°) and Bi9Ir2I3 (orthorhombic, Pnma (no. 62), a = 2677.5(5), b = 1394.2(2), c = 967.6(1) pm) are ordered polytypes with two orientations changing in alternating layers of characteristic widths. The experimental proof of metallic conductivity in Bi9Ir2I3 supports the assumption of delocalised electrons inside the  [MBi1/1Bi7/2] strands. The magnetic susceptibility of Bi9Rh2Br3 increases slowly with decreasing temperature and shows a local maximum at about 14 K.  相似文献   

13.
LiRuSn4, LiRhSn4, and LiIrSn4 were prepared by reaction of the elements in sealed tantalum ampoules at 1220 K. The tubes were subsequently annealed at 870 K for one week. The three stannides were investigated by X‐ray diffraction on powders and single crystals and the structures were refined from single crystal data: I4/mcm, a = 662.61(3), c = 1116.98(7) pm, wR2 = 0.0730, 283 F2 values for LiRuSn4, a = 658.73(5), c = 1136.4(1) pm, wR2 = 0.0532, 313 F2 values for LiRhSn4 and a = 657.34(5), c = 1130.4(1) pm, wR2 = 0.0343, 176 F2 values for LiIrSn4 with 11 variables for each refinement. LiRuSn4, LiRhSn4, and LiIrSn4 crystallize with a ternary ordered variant of the PdGa5 structure. The transition metal (T) atoms have a square antiprismatic tin environment and they form two‐dimensional [TSn4] polyanions with relatively short Ru—Sn (279 pm), Rh—Sn (280 pm), and Ir—Sn (280 pm) distances. The lithium atoms connect the polyanionic [TSn4] layers. They are located in square prismatic voids formed by tin atoms. The crystal chemistry and chemical bonding of these stannides is briefly discussed.  相似文献   

14.
Sr5[NbN4]N (transparent, red single crystals) was synthesized by reaction of Sr2N with Nb under nitrogen at ambient pressure and 1223 K. The crystal structure was solved and refined in the space group Pbcm (no. 57), Z = 4, with lattice constants a = 646.6(3) pm, b = 1792.5(9) pm, c = 729.8(4) pm, and R = 0.019, wR2 = 0.034. The crystal structure contains both isolated tetrahedra [NbN4]7‐ as well as chains of corner sharing octahedra 1(Sr4Sr2/2N7+). Strontium is irregularly coordinated by nitrogen (CN = 4 ‐ 6, Sr‐N: 252.3(4) ‐ 340.8(3) pm); nitrogen is located in a distorted octahedral environment by strontium and niobium (Nb‐N: 194.5(4) ‐ 199.2(2) pm). By formal reduction of the structural building units to their centers a close structural relationship to both the NiAs and the CaSi type structure is evident.  相似文献   

15.
Single crystals of a new barium oxogallate were obtained by growth from a melt at 1500 °C. The compound is monoclinic, with cell parameters a = 17.7447(10) Å, b = 10.6719(5) Å, c = 7.2828(5) Å, β = 98.962(7)°, V = 1362.3(2) Å3. The diffraction pattern shows systematic absences corresponding to the space group P121/c1. The structure was solved by direct methods followed by Fourier syntheses, and refined using a single crystal diffraction data set (R1 = 0.032 for 2173 reflections with I > 2σ(I)). The chemical composition derived from structure solution is Ba4Ga2O7, with a unit cell content of Z = 6. Main building units of the structure are GaO4 tetrahedra sharing one oxygen atom to form Ga2O7 groups. The Ga–O–Ga bridging angle of one of the two symmetrically independent groups is linear by symmetry. The dimers are crosslinked by barium cations coordinated by six to eight oxygen ligands.  相似文献   

16.
Zusammenfassung Die Kristallstrukturen von Rh10Ga17 und Ir3Ga5 werden bestimmt und mittels zweidimensionalerFourier-Synthesen verfeinert. Die beiden Verbindungen gehören zu einer Gruppe von TiSi2-Abkömmlingen der allgemeinen Formel T n B2n-m (TB2-x ). Die Gitterkonstanten betragen für Rh10Ga17 a=5,813;c=47,46 und für Ir3Ga5 a=5,823;c=14,20 Å.
The crystal structures of Rh10Ga17 and Ir3Ga5 have been determined by means of two-dimensionalFourier syntheses. The crystal structure of the two compounds of the general formula T n B2n-m (TB2-x ) can be derived from the TiSi2-type. The lattice parameters were found to be: Rh10Ga17 a=5,813;c=47,46 and Ir3Ga5 a=5,823;c=14,20 Å.


Mit 2 Abbildungen  相似文献   

17.
The structures of tripotassium digallium tris(phosphate), K3Ga2(PO4)3, and trisodium gallium bis(phosphate), Na3Ga(PO4)2, have different irregular one‐dimensional alkali ion‐containing channels along the a axis of the orthorhombic and triclinic unit cells, respectively. The anionic subsystems consist of vortex‐linked PO4 tetrahedra and GaO4 tetrahedra or GaO5 trigonal bipyramids in the first and second structure, respectively.  相似文献   

18.
Ga8Ir4B – a Gallium Iridium Boride with isolated, nearly square planar Ir4B Groups in a Structure derived from the CaF2 Type The new compound Ga8Ir4B (tetragonal, I41/acd, a = 853.69(2) pm, c = 2 105.69(6) pm, Z = 8, 614 reflections, 31 parameters, R = 0.034) was prepared by reaction of the elements at 1 100°C. The structure is derived from the CaF2 type. It contains isolated Ir4B groups with boron in an unusual, nearly square planar coordination.  相似文献   

19.
Zn5Ir7B3, Zn5Rh7B3, and Zn7+xRh9–xB3 (x ≈ 0.4) – New Ternary Zinc Platinum Metal Borides The new ternary zinc borides Zn5Ir7B3, Zn5Rh7B3, and Zn7+xRh9–xB3 (x ≈ 0.4) were prepared by reaction of the elemental components at temperatures in the range 1200 to 1230 ?C. They crystallize orthorhombically in the space group Pmma with Z = 2. Zn5Ir7B3 (a = 1116.1(2) pm, b = 284.96(4) pm, c = 1178.1(2) pm; R = 0.042, 1414 reflections, 47 parameters) and Zn5Rh7B3 (a = 1101.6(2) pm, b = 283.94(3) pm, c = 1166.6(4) pm, R = 0.033, 787 reflections, 47 parameters) are isotypic. Along the short axis planar nets of platinum metal atoms at y = 0 alternate with layers containing the boron and zinc atoms at z = 1/2. By the stacking of the platinum metal nets columns of trigonal prisms centered by boron atoms, columns of pentagonal prisms containing zinc atoms and channels with horse shoe shaped cross sections, all running along the b‐axis are formed. The latter are filled by an aggregation of zinc atoms consisting of four parallel rows. In the structure of Zn7+xRh9–xB3 (a = 1117.1(3) pm, b = 285.38(8) pm, c = 1484.8(5) pm; R = 0.026, 975 reflections, 59 parameters) one of the sitesets is occupied by Rh and Zn atoms approximately in the ratio 6 : 4. The structure contains the same building elements as those found in Zn5Rh7B3 and in addition Rh prisms with elongated hexagon cross sections accommodating pairs of zinc atoms. These prisms are connected by common faces to form layers perpendicular to the c axis.  相似文献   

20.
Single crystals of Ta7Cu10Ga34 were grown from the elements in a Cu/Ga melt. Ta7Cu10Ga34 represents the first ternary compound of the system Ta/Cu/Ga. The crystal structure (Cmmm, oC102, Z = 2, a = 23.803(1), b = 12.2087(4), c = 5.7487(2) Å, 1291 refl. 78 parameters, R1 = 0.037, wR2 = 0.070). The crystal structure is characterized by rods of pentagonal prisms MGa10, which are alternatingly occupied by Ta and Cu. Four of these rods are connected to columns running in direction (001). These columns are linked by cubic units TaGa8, CuGa8, and GaGa8. According to the characteristic structural elements and the size of the unit cell Ta7Cu10Ga34 represents a 8 × 4 × 2 super structure of CsCl or bcc. With respect to the underlying CsCl structure the formula can be written as [Ta7Cu10Ga213]Ga32, i.e. a cubic primitive packing of 32 Ga atoms with Ta, Cu, and Ga in cubic voids and 13 vacancies. The pentagonal‐prismatic coordination of Ta and Cu can formally be obtained from the cubic primitive packing of Ga atoms by a 45° rotation of a part of the Ga8 cubes. There is a close similarity to the binary compounds Ta8Ga41 and Ta2–xGa5+x. The first one is also related to a CsCl‐like structure, the latter one contains rods of pentagonal prisms, which form the same columns. There are also relations to the ternaries V2Cu3Ga8 and V11Cu9Ga46, whose cubic structures are more or less complex variants of CsCl.  相似文献   

设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号