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1.
Ce2(MoO4)2(Mo2O7) crystallizes in the triclinic system with unit cell dimensions (from single-crystal data) a = 11.903(8), b = 7.509(5), c = 7.385(5) Å, α = 94.33(8), β = 97.41(8), γ = 88.56(7)°, and space group P1, z = 2. The structure was solved using Patterson (“P1 method”) and Fourier techniques. Of the 8065 unique reflections measured by counter techniques, 6314 with I ≥ 3σ(I) were used in the least-squares refinement of the model to a conventional R of 0.035 (Rw = 0.034). The structure of Ce2(MoO4)2(Mo2O7) consists of dimolybdate chains of the K2Mo2O7 and (NH4)2Mo2O7 type separated by isolated MoO4 tetrahedra and cerium(III) polyhedra.  相似文献   

2.
Ce6Mo10O39 crystallizes in the triclinic system with unit-cell dimensions (from single-crystal data) a = 10.148(5), Å, b = 18.764(6), Å, c = 9.566(5), Å, α = 103.12(7)°, β = 78.07(7)°, γ = 107.69(7)°, and space group P1, z = 2. The structure was solved using direct methods with 3113 countermeasured reflections (Mo radiation), and refined using Fourier and least-squares techniques to a conventional R of 0.039 (ωR = 0.047). Ce6Mo10O39 has a structure that consists of isolated MoO4 tetrahedra together with one corner-shared pair of tetrahedra, linked to irregular eight-coordinate Ce(III) polyhedra. The average MoO distance of 1.77 Å, and average CeO distance of 2.52 Å are in good agreement with previously reported values.  相似文献   

3.
4.
Fused salt electrolysis has been used to prepare a number of reduced oxides of molybdenum with lanthanum, neodymium, and yttrium in single crystal or oriented polycrystalline form. The average valence of molybdenum in the various compounds ranged from 5.67 to 3.50. Previously unreported compounds include La5Mo4O16 (triclinica = 5.64 Å,b = 20.7 0Å,c = 5.64 Å, α = 86.55°, β = 90.0°, γ = 93.45°); La2Mo2O7 (orthorhombic,a = 12.19 Å,b = 6.05 Å,c = 3.87 Å); LaMo2O5 (hexagonal,a = 8.378 Å,c = 19.26 Å). In addition, single crystal specimens have been prepared of Y2MoO5,Ln5Mo3O16(Ln =La, Nd) and metal atom cluster compounds of theA2Mo3O8 type (A = Mg, Co, Ni, Zn).  相似文献   

5.
LLi2Mo4o13 crystallizes in the triclinic system with unit-cell dimensions a = 8.578 Å, b = 11.450 Å, c = 8.225 Å, α = 109.24°, β = 96.04°, γ = 95.95° and space group P1, Z = 3. The calculated and measured densities are 4.02 g/cm3 and 4.1 g/cm3 respectively. The structure was solved using three-dimensional Patterson and Fourier techniques. Of the 2468 unique reflections collected by counter methods, 1813 with I ? 3σ(I) were used in the least-squares refinement of the model to a conventional R of 0.031 (ωR = 0.038). LLi2Mo4O13 is a derivative of the V6O13 structure with oxygen ions arranged in a face-centred cubic type array with octahedrally coordinated molybdenum and lithium ions ordered into layers.  相似文献   

6.
NH3(MoO3)3 crystallizes with hexagonal symmetry, space group P63m, lattice constants a = 10.568 Å, c = 3.726 Å, and Z = 2. The crystal structure has been determined by Patterson synthesis and refined assuming isotropic temperature factors to a final conventional R value of 0.085. The structure shows a three-dimensional arrangement built up of double chains of distorted MoO6 octahedra, parallel to the [001] direction. The octahedral double chains are linked among each other through common oxygen atoms. In addition to the shared oxygen atoms, each molybdenum is coordinated to one terminal oxygen. MoO distances range from 1.645 to 2.378 Å and OMoO angles from 74.3 to 114.3°. These results are consistent with the fact that molybdenum in high-valence states shows octahedral coordination with terminal oxygens.  相似文献   

7.
Na6Mo10O33 crystallizes in the triclinic system with unit-cell dimensions a = 8.049(4), b = 12.180(6), c = 7.576(4) Å, α = 99.96(9), β = 100.74(1), γ = 109.88(10)°, and space group P1 with z = 1. The structure was solved using Patterson and Fourier methods. Of the 3045 unique reflections measured by counter techniques 2758 with I ≥ 3σ(I) were used in the least-squares refinement of the model to a conventional R of 0.030 (Rw = 0.034). The structure of Na6Mo10O33 consists of two different types of chains of molybdenum-oxygen polyhedra linked to one another approximately at right angles. One chain of edge- and corner-shared distorted MoO6 octahedra is approximately parallel to [001] and the second chain, consisting of corner-shared pairs of octahedra edge-shared to pairs of edge-shared MoO5 square pyramids (inverted with respect to one another), is approximately parallel to [100]. These linked chains form an infinite three-dimensional network in the interstices of which the sodium atoms are located. One of the chains of the Na6Mo10O33 structure is the same as that found in Ag6Mo10O33; the second chain, however, does not occur in Ag6Mo10O33.  相似文献   

8.
Structure determination of the molybdenum purple bronze Na0.9Mo6O17 is carried out by single-crystal X-ray diffraction. The crystal is monoclinic with space group A2 and the lattice constants are a = 12.983(2), b = 5.518(1), c = 9.591(2) Å, β = 89.94(1)°, Z = 2. Full-matrix least-squares refinement gives the final values of R(F) = 0.028 and Rw(F) = 0.040 for 1484 independent reflections, in which the occupancy factor of the sodium atom becomes 0.899(12). The present structure is built up of the linkage of the MoO4 and MoO6 polyhedra. There are slabs which consist of four layers of distorted MoO6 octahedra sharing corners. Both the structure and the molybdenum valence distribution estimated from the MoO bond lengths are considered to lead to the two-dimensional electronic transport. This structure is compared with those of other members of molybdenum purple bronzes, K0.9Mo6O17 and Li0.9Mo6O17. The difference of the electronic properties among these compounds can be well understood on the basis of their structural characteristics.  相似文献   

9.
The crystals of Ni0,33Mo3Se4, are triclinic, space group P1, with two formula units in a cell: a = 6,727 (9) Å, b = 6,582 (11) Å, c = 6,751 (6) Å, α = 90.61° (10), β = 92.17° (10), γ = 90.98° (12.) The structure was solved by analogy with Mo3Se4 and refined by a full-matrix least squares program to R = 0,093 for 822 independent reflexions. The channels present in Mo3Se4 are occupied by Ni so that Ni0,33Mo3Se4 is always a metallic compound.  相似文献   

10.
Single crystals of the title compounds have been grown by the Czochralski technique. Pb4P2O9 crystallizes in the space group P21c with the parameters a = 9.4812 Å, b = 7.1303 Å, c = 14.390 Å, β = 104.51° and Pb8P2O13 in C2m with a = 10.641 Å, b = 10.206Å c = 14.342 Å, β = 98.34°.  相似文献   

11.
Crystal structures of Pb(MoO2)2(PO4)2 and Ba(MoO2)2(PO4)2 were determined. Both compounds contain the molybdyl group MoO2. The monoclinic unit-cell parameters are a = 6.353(7), b = 12.289(4), c = 11.800 Å, β = 92°56(6), and Z = 4 for the lead salt and a = 6.383(8), b = 7.142(7), c = 9.953(8) Å, β = 95°46(8), and Z = 2 for the barium salt. P21c is the common space group. The R values are respectively R = 0.027 and R = 0.031 for 1964 and 1714 independent reflections. The frameworks built up by a three-dimensional network of monophosphate PO4 and molybdyl MoO2 groups are similar, characterized mainly by corner-sharing PO4 and MoO6 polyhedra. Two oxygen atoms of each MoO6 group are bonded to the molybdenum atom only as in other molybdyl salts.  相似文献   

12.
Sc2O2S is hexagonal, P63mmc, a = 3.5196(4) Å, c = 12.519(2) Å, Z = 2, Dc = 3.807 g cm?3, Dm = 4.014 g cm?3, μ(Mo) = 55.51 cm?1. The final R value is 0.038 for 205 symmetry-independent reflections. This scandium oxysulfide has c = 12.52 Å, twice the value found in rare earth oxysulfides. An La2O2S cell combined with its reflection in a (001) mirror gives the Sc2O2S cell.  相似文献   

13.
A systematic investigation of crystal growth in the cesium molybdate/molybdenum trioxide system is described. A previously unknown blue cesium molybdenum bronze phase has been prepared as well as the known red bronze, Cs0.33MoO3, and high-quality crystals of the Magneli-phase compound, γ-Mo4O11. This new blue bronze, with empirical formula, Cs0.19MoO2.85, is monoclinic with cell constants, a = 19.198(4) Å, b = 5.519(2) Å, c = 12.213(2) Å, and β = 119.44(2)°. Measurements of the susceptibility and of the resistivity vs temperature are reported. As is the case for other alkali molybdenum bronzes, the product formed is determined by the molar ratio of alkali molybdate to molybdenum trioxide and the melt temperature.  相似文献   

14.
Oxygen-deficient molybdenum trioxide nanorods of composition MoO2.987 (orthorhombic, a = 3.951(2) Å, b = 13.856(1) Å, c = 3.700(1) Å) were synthesized by a hydrothermal process (150–180°C, 30–50 h). MoO3 ? δ particles were 60–90 nm in diameter; their lengths were several micrometers. X-ray photoelectron and IR spectra of these nanorods were studied, The nanorods had weak paramagnetism, signifying the existence of molybdenum(V) ions in their structure.  相似文献   

15.
16.
The compound Cr2TiO5 could be synthesized as a stoichiometric single phase above 1660°C in air. Application of selected area electron diffraction, high resolution electron microscopy and powder X-ray diffraction studies showed that Cr2TiO5 is isomorphous with CrFeTiO5, with V3O5 type structure. It is monoclinic, a = 7.020(1)Å, b = 5.025(1)Å, c = 9.945(2)Å and β = 111.43(2)°. It was found that Cr2TiO5 is unstable relative to a mixture of Cr2O3 (ss) and a so-called “E” phase, below 1660°C.  相似文献   

17.
Several new, reduced ternary and quaternary oxides of molybdenum are reported, each containing molybdenum in an average oxidation state <4.0. All are prepared by reactions between a molybdate salt; metal oxide, if needed; and MoO2 sealed in Mo tubes held at 1100°C for ca. 7 days. Refinement of the substructure of the new compound Ba0.62Mo4O6 was based on an orthorhombic cell, witha = 9.509(2), b = 9.825(2), c = 2.853(1)Å, Z = 2 in space groupPbam; weak supercell reflections indicate the true structure hasc = 8(2.853) Å. The chief structural feature is closely related to that of NaMo4O6 (C. C. Torardi, R. E. McCarley,J. Amer. Chem. Soc.101, 3963 (1979)), which consists of infinite chains of Mo6 octahedral clusters fused on opposite edges, bridged on the outer edges by O atoms and crosslinked by MoOMo bonding to create four-sided tunnels in which the Ba2+ ions are located. The structure of Ba1.13Mo8O16 is triclinic,a = 7.311(1), b = 7.453(1), c = 5.726(1)Å, α = 101.49(2), β = 99.60(2), γ = 89.31(2)°,Z = 1, space groupP1¯. It is a low-symmetry, metal-metal bonded variant of the hollandite structure, in which two different infinite chains, built up from Mo4O2?8 and Mo4O0.26?8 cluster units, respectively, are interlinked via MoOMo bridge bonding to create again four-sided tunnels in which the Ba2+ ions reside. Other compounds prepared and characterized by analyses and X-ray powder diffraction data arePbxMo4O6(x ~ 0.6), LiZn2Mo3O8, CaMo5O8, K2Mo12O19, and Na2Mo12O19.  相似文献   

18.
Ba2V2O7 is triclinic with a = 13.571(3), b = 7.320(2), c = 7.306(2) Å, α = 90.09(1), β = 99.48(1), β = 99.48(1), γ = 87.32(1)°, V = 7.15.1 Å3, Z = 4, and space group P1. The crystal structure was solved by Patterson and Fourier methods and refined by full-matrix least-squares analysis to a Rw of 0.034 (R = 0.034) using 2484 reflections measured on a Syntex P1 automatic four-circle diffractometer. The structure has two unique divanadate groups that are repeated by the b and c lattice translations to form sheets of divanadate groups parallel to (100). These sheets are linked by four unique Ba atoms that lie between these sheets. Ba(1) and Ba(3) are coordinated by eight oxygens arranged in a distorted biaugmented triangular prism and a distorted cubic antiprism, respectively. Ba(2) is coordinated by 10 oxygens arranged in a distorted gyroelongated square dipyramid and Ba(4) is coordinated by nine oxygens arranged in a distorted triaugmented triangular prism. These coordination numbers are substantiated by a bond strength analysis of the structure, and the variation in 〈BaO〉 distances is compatible with the assigned cation and anion coordination numbers. Both divanadate groups are in the eclipsed configuraton with 〈VO(br)〉 bond lengths of 1.821(4) and 1.824(4) Å and VO(br)V angles of 125.6(3) and 123.7(3)°, respectively. Examination of the divanadate groups in a series of structures allows certain generalizations to be made. Longer 〈VO(br)〉 bond lengths are generally associated with smaller VO(br)V angles. When VO(br)V < 140°, the divanadate group is generally in an eclipsed configuration; when VO(br)V > 140°, the divanadate group is generally in a staggered configuration. Nontetrahedral cations with large coordination numbers require more oxygens with which to bond, and hence O(br) is more likely to be three coordinate, with the divanadate group in the eclipsed configuration. In the eclipsed configuration, decrease in VO(br)V promotes bonding between O(br) and nontetrahedral cations, and hence smaller nontetrahedral cations are generally associated with smaller VO(br)V angles.  相似文献   

19.
The structure of La6Mo8O33 has been determined from a triple pattern powder diffraction analysis. Two high-resolution neutron diffraction patterns collected at 1.594 and 2.398 Å and one X-rays were used. This molybdate crystallizes in a non-centrosymmetric monoclinic space group P21(N°4), Z=2,a=10.7411(3) Å, b=11.9678(3) Å, c=11.7722(3) Å, β=116.062 (1)°. La6Mo8O33 is an unusual ordered defect Scheelite. Hence, it should be described with cation vacancies and an extra oxygen atom following the formula: La62Mo8O32+1. This extra oxygen atom leads to a pyramidal environment, whereas the other molybdenum atoms present tetrahedral environment. A molybdenum tetrahedral is connecting to the pyramid, forming an [Mo2O9] unit.  相似文献   

20.
Fe2P2O7 crystallizes in the C1 space group with lattice parameters a = 6.649(2)Å, b = 8.484(2)Å, c = 4.488(1)Å, α = 90.04°, β = 103.89(3)°, γ = 92.82(3)°, and ?cal = 3.86 g/cc. It is essentially isostructural with β-Zn2P2O7. As in the Zn compound, the bridging oxygen atom in the P2O7 group shows a high anisotropic thermal motion. It appears that the P-O-P bond angle is linear as a result of extensive π bonding with the p orbitals on the bridging oxygen atom. The high thermal motion is vibration of the atom into cavities in the structure.  相似文献   

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