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1.
The crystal structure of trisodium monophosphate hemihydrate was determined. The space group is and a unit cell contains eight formula units. The unit cell dimensions of are a = 9.631(3), b = 5.416(2), c = 16.938(8) Å, β = 102.60(5)°. The final R value is 0.027 for a set of 1430 independent reflections. This atomic arrangement is mainly a three-dimensional network of distorted NaO6 octahedra. The hydrogen bonding scheme is given. 相似文献
2.
Reaction of BaO, Nb2O5, and Nb in mole ratios of 2.4:1.6:1 in an evacuated silica capsule at 1250°C produces a mixture of at least two products, one of which has the probable composition . This compound has an hexagonal unit cell of dimensions a = 9,034 ± 0.004 Å, c = 27.81 ± 0.02 Å, probable space group . Its structure has been determined from 942 independent reflections collected by a counter technique and refined by least squares methods to a conventional R value of 0.062. The basic structure consists of strings of four NbO6 octahedra sharing opposite corners, each string joined to the next by edge sharing of the end octahedra, so that the c axis corresponds to the length of a strand of seven corner-linked octahedra. Chains of three such strands are formed by corner sharing between the strands. The chains in turn are joined by NbO6 octahedra and Si2O7 groups in which the SiOSi linkage is linear. Barium atoms are in sites between the chains coordinated by 13 oxygen atoms. A second site, 15 coordinated, probably has a small amount of barium as well; the fractional occupancy for barium in this site is 0.076. 相似文献
3.
Régnault von der Mühll Françoise Daut Jean Ravez 《Journal of solid state chemistry》1973,8(3):206-212
The crystal structure of SrFeF5 has been determined by single crystal X-ray diffraction methods.The unit cell is monoclinic (space group ) with a = 7.062 ± 0.001 Å, b = 7.289 ± 0.001 Å, c = 14.704 ± 0.001 Å, β = 95.40 ± 0.01° and Z = 8.The lattice is built up of spiral chains of octahedra parallel to the Oy axis. These chains are formed by (FeF6)3? octahedra sharing corners of the same edge. The strontium atoms bridge three neighbouring chains. The SrTiF5, SrVF5, SrCoF5, and BaInF5 phases are isostructural with SrFeF5. 相似文献
4.
M. Julien-Pouzol S. Jaulmes M. Guittard P. Laruelle 《Journal of solid state chemistry》1978,26(2):185-188
Sc2O2S is hexagonal, Å, c = 12.519(2) Å, Z = 2, Dc = 3.807 g cm?3, Dm = 4.014 g cm?3, μ(MoKα) = 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
5.
β-TeVO4 crystallizes in the monoclinic system with the space group and the parameters: a = 4.379 Å, b = 13.502 Å, c = 5.446 Å, and β = 91.72°. Vanadium occupies the center of a square pyramid of oxygens, an extra oxygen is at VO = 2.77 Å. These distorted octahedra share corners forming puckered sheets parallel to (010). The sheets are held together by [Te2O6]4? groups in which tellurium is one-side coordinated by four oxygen atoms. 相似文献
6.
Alan D. Potoff Bertrand L. Chamberland Lewis Katz 《Journal of solid state chemistry》1973,8(3):234-237
A single crystal study of hydrothermally prepared eight-layer BaMnO3 has been carried out which confirms the (Zhdanov notation) 121121 layer stacking scheme for the BaO3 layers. The MnO6 octahedra share faces in strings of four, and these strings are connected to each other by corner sharing. The compound has an hexagonal unit cell of dimensions a = 5.667 ± 0.003 and c = 18.738 ± 0.009 Å, probable space group . Its structure has been determined from 352 independent reflections, of which 242 were considered observed, collected manually by a counter technique and refined to a conventional R value of 0.079. 相似文献
7.
Koji Kuroda Nobuo Ishizawa Nobuyasu Mizutani Masanori Kato 《Journal of solid state chemistry》1981,38(3):297-299
α-SrMnO3 crystallizes in the hexagonal system with unit-cell dimensions a = 5.454(1) Å, c = 9.092(2)Å, space group . The structure was solved by the heavy-atom method; of 404 unique reflections measured by counter method, 203 that obeyed the condition |F0| ≥ 3σ (|F0|) were used in the refinement to a conventional R value of 0.043. The structure consists of four close-packed SrO3 layers in an ABAC stacking sequence along the hexagonal c axis. Oxygen octahedra containing Mn4+ are grouped into face-sharing pairs linked by corner sharing within the cubically stacked “A” layer. 相似文献
8.
The structure of Pb3O4 at 293 K has been refined to an R value of 0.06, using 29 neutron diffraction data obtained from a powdered sample.Oxygen atoms are displaced in the quadratic cell (space group Å and c = 6.563 Å) with respect to previous results obtained by several authors. The interatomic PbIVO and PbIIO distances are compared with those found in other lead oxides. While the oxygen octahedra around PbIV atoms are characterized by bondings a little too long, the divalent lead coordination is characterized by bondings a little too short. 相似文献
9.
10.
Kjell Waltersson 《Journal of solid state chemistry》1979,28(1):121-131
The crystal structure of has been determined and refined on the basis of three-dimensional X-ray diffractometer data (MoKα radiation). The structure is monoclinic, a = 7.710(2), b = 19.474(7), c = 7.216(2)Å, β = 116.75(1)°, V = 967.5Å3, Z =8, space group Cc (No. 9). The final R and Rw were 0.0295 and 0.0300, respectively, for 1356 independent reflections and 117 variables.The structure contains two crystallographically different VOF5 octahedra linked so as to form complex chains. Two non-equivalent octahedra share one FF edge, forming V2O2F8 doublets. Two F atoms, connected to different V atoms within the doublet, form an edge in the adjacent equivalent V2O2F8 unit thus continuing the chain. The VO distances are 1.583(7) and 1.595(7) Å. The VF distances are in the range 1.881-2.205 Å, mean value: 1.989 Å. The H2O group is a crystal water molecule. 相似文献
11.
The system MgOSiO2H2O was investigated at pressures between 40 and 95 kbar and at temperatures between 500 and 1400°C. The reaction products were examined by X-ray, optical and thermal analysis techniques and the density of phase A discovered by Ringwood and Major was also measured. It was found that phase A was hydrated and its chemical formula was H6Mg7Si2O14. When the ratio of the system is 2, phase A + clinoenstatite, and forsterite are stable at temperatures lower and higher than a boundary curve T (°C) = 10P (kbar), respectively. When the ratio of the system is 3, phase A + phase D (which is completely different from the phases, A, B and C discovered by Ringwood and Major, and any other known phases of magnesium silicate) and phase D + brucite are stable at temperatures lower and higher than a boundary curve T(°C) = 10P (kbar) + 200. Phase A has approximately an hexagonal symmetry and the space group and the lattice parameters are determined as P63 or and a = 7.866(2) Å and c = 9.600(3) Å, respectively. The measured density is 2.96 ± 0.02 g/cm3. The optical observations show that phase A is biaxial positive crystal with refractive indices α = 1.638 ± 0.001, β = 1.640 ± 0.002, and γ = 1.649 ± 0.001. Some interpretation is given on the inconsistency between the symmetry determined by the X-ray diffraction and the optical observation. The new phase D belongs to the space group with lattice parameters a = 7.914(2)Å, b = 4.752(1) Å, c = 10.350(2) Å and β = 108.71(5)° and is a biaxial crystal with refractive indices α = 1.630 ± 0.002, β = 1.642 ± 0.002 and γ = 1.658 ± 0.001. 相似文献
12.
The LiPO3CeP3O9 and NaPO3CeP3O9 systems have been investigated for the first time by DTA, X-ray diffraction, and infrared spectroscopy. Each system forms a single 1:1 compound. LiCe(PO3)4 melts in a peritectic reaction at 980°C. NaCe(PO3)4 melts incongruently, too, at 865°C. These compounds have a monoclinic unit cell with the parameters: a = 16.415(6), b = 7,042(6), c = 9.772(7)Å; β = 126.03(5)°; Z = 4; space group for LiCe (PO3)4; and a = 9.981(4), b = 13.129(6), c = 7.226(5) Å, β = 89.93(4)°, Z = 4, space group for NaCe(PO3)4. It is established that both compounds are mixed polyphosphates with chain structure of the type |MIIMIIIII (PO3)4|∞MII: alkali metal, MIIIII: rare earth. 相似文献
13.
Single crystal Na2TeO4 has been prepared by hydrothermal synthesis and its structure determined from three dimensional X-ray analysis. The crystal is monoclinic, space group with a = 10.632(5)Å, b = 5.161(2)Å; c = 13.837(11)Å, and β = 103.27(4)°. The crystal structure is built up of chains of Te(VI)O6 octahedra parallel to the [010] axis which can be formulated as [TeO4]n2n?. All sodium cations are in very distorted octahedral coordination. 相似文献
14.
A new hydrate of tungsten trioxide, has been obtained by hydrothermal treatment at 120°C of an aqueous suspension of either tungstic acid gel or crystallized dihydrate. This hydrate has been characterized by different methods. A crystallographic study was carried out from X-ray powder diffraction. The hydrate crystallizes in the orthorhombic system: a = 7.359(3) Å, b = 12.513(6) Å, c = 7.704(5) Å, Z = 12. The existence of structural relationships between the hydrate, , and the product of dehydration, hexagonal WO3, has permitted us to propose a structural model in agreement with the experimental data. must be regarded as an interesting compound because its dehydration leads to a new anhydrous tungsten trioxide, hexagonal WO3. 相似文献
15.
The compound Th0.25 NbO3 melts congruently at 1390°C. Single crystals obtained by slow cooling from the melt are transparent and show uniaxial optical properties. A single-crystal X-ray analysis confirms the tetragonal cell found by Kovba and Trunov from a powder data and gives a = 3.90 Å and c = 7.85 Å. No systematic absence of the hkl reflections is observed on precession films. The relative intensities of the main reflections are characteristic of a perovskite-like arrangement ABO3 whose large dodecahedral A sites are only partly occupied. Several domains have been found in the perovskite-type solid solution (1 ? x) Th0.25NbO3-x NaNbO3. For 0 ? x ? 0.5 the phases have a tetragonal cell with and as in pure Th0.25 NbO3. When 0.6 ? x ? 0.8 the corresponding phases crystallize with a small cubic cell (Å), while phases with 0.9 ? x ? 1 have an orthorhombic cell (). 相似文献
16.
FeIIFeIII2F8(H2O)2 and MnFe2F8(H2O)2, grown by hydrothermal synthesis (), crystallize in the monoclinic system with cell dimensions (Å): a = 7.609(5), b = 7.514(6), c = 7.453(4), β = 118.21(3)°; and a = 7.589(6), b = 7.503(8), c = 7.449(5), β = 118.06(3)°, and space group . The structure is related to that of . It is described in terms of perovskite type layers of Fe3+ octahedra separated by Fe2+ or Mn2+ octahedra, or in terms of shifted hexagonal bronze type layers. Both compounds present a weak ferromagnetism below TN (157 and 156 K, respectively). Mössbauer spectroscopy points to an “idle spin” behavior for FeIIFeIII2F8(H2O)2: only Fe3+ spins order at TN, while the Fe2+ spins remain paramagnetic between 157 and 35 K. Below 35 K, the hyperfine magnetic field at the Fe2+ nuclei is very weak: Hhf = 47 kOe at T = 4.2 K. For MnFe2F8(H2O)2, Mn2+ spin disorder is expected at 4.2 K. This “idle spin” behavior is due to magnetic frustration. 相似文献
17.
Crystal structures for the fluorite-related phases CaHf4O9) and Ca6Hf19O44 () have been determined from X-ray powder diffraction data. qf1 is monoclinic, , with a = 17.698 Å, b = 14.500Å, c = 12.021 Å, β = 119.47° and Z = 16. qf2 is rhombohedral, , with a = 12.058 Å, α = 98.31° and Z = 2.Both phases are superstructures derived from the defect fluorite structure by ordering of the cations and of the anion vacancies. The ordering is such that the calcium ions are always 8-coordinated by oxygen ions, while the hafnium ions may be 6-, 7-, or 8-coordinated. The closest approach of anion vacancies is a fluorite subcell vector, and in each structure vacancies with this separation form strings. 相似文献
18.
Li2WO4II, synthesized at 3 kbar and 630°C, has tetragonal symmetry, and c = 8.410(1)Å, Z = 16, Dcalc = 5.78 g cm?3. The structure was determined by countermeasuring 469 independent reflections from a single crystal and was refined up to R = 0.032 by the full-matrix least-squares method. It is based on cubic closest packing of oxygen atoms and is closely related to the β-phase structure of Mg2SiO4. W and Li(2) are in octahedral sites and Li(1), in tetrahedral sites. Four Li(1)O4 tetrahedra form a Li4O12 group, WO6 and Li(2)O6 construct a octahedral double chain along the a axis, and four WO6 octahedra build a W4O16 group by sharing their octahedral edges. 相似文献
19.
Ninh Nguyen Jacques Choisnet Maryvonne Hervieu Bernard Raveau 《Journal of solid state chemistry》1981,39(1):120-127
Oxygen defect K2NiF4-type oxides have been synthesized for a wide composition range: 0 ≤ x ≤ 1.34. From the X-ray and electron diffraction study three domains have been characterized: orthorhombic compounds with La2CuO4 structure for 0 ≤ x < 0.10, tetragonal oxides similar to LaSrCuO4 for 0.10 ≤ x < 1 and several superstructures derived from the tetragonal cell ( with n = 3, 4, 4.5, 5, 6) for 1 ≤ x ≤ 1.34. The compounds corresponding to 0 < x < 1 differ from the other oxides in that they are characterized by the presence of copper with two oxidation states: + 2 and + 3. A model structure for La0.8Sr1.2CuλO3.4, in which copper has only the + 2 oxidation state, and for which the actual cell is tegragonal—a = 18.804 Å and c = 12.94 Å—has been established. The particular structural evolution of these compounds is discussed in terms of a competition between the capability of Cu(II) to be oxidized to Cu(III) and the ordering of oxygen vacancies. 相似文献
20.
Neutron diffraction studies on polycrystalline UF6 have been carried out at 193°K and 293°K. At both temperatures, UF6 is orthorhombic with the space group Pnma (D162h) and Z = 4. Measured lattice parameters are a = 9.924 (10) Å, b = 8.954 (9) Å, c = 5.198 (5)Å at 293°K and a = 9.843 (11), b = 8.920 (10), c = 5.173 (6) Å at 193°K. The neutron diffraction patterns were analyzed by the least-squares profile-fitting technique. The final values of over the pattern points, where Ioi is a background corrected measured intensity, were 0.081 at 193°K and 0.133 at 293°K.On cooling, the hexagonal close-packing tends to become more regular, and the FF distances external to a UF6 octahedron contract. The octahedra are nearly regular with a mean UF distance of 1.98 Å, a mean FF edge of 2.80 Å, and a FUF angle of 90.0° at 193°K. 相似文献