scholarly journals Thermal analysis, X-ray diffraction, spectroscopy studies and magnetic properties of the new compound Tl2HAsO4.Te(OH)6

2011 ◽  
Vol 7 (3) ◽  
pp. 1399-1412
Author(s):  
I. Bechibani ◽  
H. Litaiem ◽  
S. Garcia Granda ◽  
M. Dammak ◽  
L. Ktari
Keyword(s):  
Thermal Analysis ◽  
Room Temperature ◽  
Thermal Analyses ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Triclinic System ◽  
Three Phase ◽  
Spectroscopy Studies

The Tl2HAsO4.Te(OH)6 (TlAsTe) compound crystallizes in the triclinic system P1 with unit cell parameters: a= 7.100(10) Å, b= 7.281(13) Å, c= 8.383(11) Å, α= 76.91(1)°, β= 87.16(1)°, γ= 66.96(2)°, Z= 2 and V= 388.19(1) Å3. This new structure can be described as a lamellar one with the atomic arrangement being built by planes of Te(OH)6 octahedra alterning with planes of arsenate tetrahedra. Raman and infrared spectra recorded at room temperature confirm the presence of As  and Te  groups and characterize the hydrogen bonds present in the crystal lattice. Differential scanning calorimerty shows the presence of three-phase transitions at 396 K, 408 K and 430 K present in the title compound. Typical thermal analyses, such as differential thermal analysis and thermogravimetry show that the decomposition of this material starts at about T= 445 K. Magnetization curve of Tl2HAsO4·Te(OH)6 substance have revealed a diamagnetic response overall temperature range studied.

scholarly journals Synthesis, Characterization, and Crystal Structure of Negundoside (2′-p-Hydroxybenzoyl Mussaenosidic Acid)

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
Suresh Sharma ◽  
B. D. Gupta ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Direct Method ◽  
Monoclinic Crystal System ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic Crystal ◽  
Full Matrix ◽  
X Ray ◽  
Cell Parameters

The structure of title compound Negundoside (2′-p-hydroxybenzoyl mussaenosidic acid) was established by spectral and X-ray diffraction studies. The compound crystallizes in the monoclinic crystal system with space group P21 having unit cell parameters: a=11.6201 (5) Å, b=9.2500 (4) Å, c=12.2516 (5) Å, β=97.793 (4)°, and Z=2. The crystal structure was solved by direct method using single crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R value of 0.0520 for 3389 observed reflections.

X-ray powder diffraction data of lapatinib ditosylate monohydrate

2009 ◽  
Vol 24 (3) ◽  
pp. 250-253 ◽  
Author(s):  
Peter Varlashkin
Keyword(s):  
Breast Cancer ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Structure

The room temperature powder pattern of lapatinib ditosylate monohydrate (active ingredient in Tykerb used to treat refractory breast cancer) was indexed and the cell from the single crystal X-ray diffraction structure was refined using the experimental capillary data. Unit-cell parameters for the orthorhombic compound with space group Pbca refined from powder diffraction data are a=9.6850±0.0009 Å, b=29.364±0.003 Å, and c=30.733±0.003 Å, α=β=γ=90°, z=8, V=8740.1 Å3. Values of 2θ, d, I, and Miller indices are reported.

Schmidite and wildenauerite, two new schoonerite-group minerals from the Hagendorf-Süd pegmatite, Oberpfalz, Bavaria

2018 ◽  
Vol 83 (02) ◽  
pp. 181-190
Author(s):  
Ian E. Grey ◽  
Erich Keck ◽  
Anthony R. Kampf ◽  
John D. Cashion ◽  
Colin M. MacRae ◽  
...  
Keyword(s):  
Thermal Analysis ◽  
Tetrahedral Site ◽  
Orthorhombic Symmetry ◽  
Charge Balance ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Symmetry Space ◽  
Symmetry Space Group

AbstractSchmidite, Zn(Fe3+0.5Mn2+0.5)2ZnFe3+(PO4)3(OH)3(H2O)8 and wildenauerite, Zn(Fe3+0.5Mn2+0.5)2Mn2+Fe3+(PO4)3(OH)3(H2O)8 are two new oxidised schoonerite-group minerals from the Hagendorf-Süd pegmatite, Hagendorf, Oberpfalz, Bavaria, Germany. Schmidite occurs as radiating sprays of orange–brown to copper-red laths on and near to altered phosphophyllite in a corroded triphylite nodule, whereas wildenauerite forms dense compacts of red laths, terminating Zn-bearing rockbridgeite. The minerals are biaxial (+) with α = 1.642(2), β = 1.680(1), γ = 1.735(2) and 2Vmeas = 81.4(8)° for schmidite, and with α = 1.659(3), β = 1.687(3), γ = 1.742(3) and 2Vmeas = 73(1)° for wildenauerite. Electron microprobe analyses, with H2O from thermal analysis and FeO/Fe2O3 from Mössbauer spectroscopy, gave FeO 0.4, MgO 0.3, Fe2O3 23.5, MnO 9.0, ZnO 15.5, P2O5 27.6, H2O 23.3, total 99.6 wt.% for schmidite, and FeO 0.7, MgO 0.3, Fe2O3 25.2, MnO 10.7, ZnO 11.5, P2O5 27.2, H2O 24.5, total 100.1 wt.% for wildenauerite. The empirical formulae, scaled to 3 P and with OH– adjusted for charge balance are Zn1.47Mn2+0.98Mg0.05Fe2+0.04Fe3+2.27(PO4)3(OH)2.89(H2O)8.54 for schmidite and Zn1.11Mn2+1.18Mg0.05Fe2+0.08Fe3+2.47(PO4)3(OH)3.25(H2O)9.03 for wildenauerite. The two minerals have orthorhombic symmetry, space group Pmab and Z = 4. The unit-cell parameters from refinement of powder X-ray diffraction data are a = 11.059(1), b = 25.452(1) and c = 6.427(1) Å for schmidite, and a = 11.082(1), b = 25.498(2) and c = 6.436(1) Å for wildenauerite. The crystal structures of schmidite and wildenauerite differ from that of schoonerite in having minor partitioning of Zn from the [5]Zn site to an adjacent vacant tetrahedral site [4]Zn, separated by ~1.0 Å from [5]Zn. The two minerals are distinguished by the cation occupancies in the octahedral M1 to M3 sites. Schmidite has M1 = M2 = (Fe3+0.5Mn2+0.5) and M3 = Zn and wildenauerite has M1 = M2 = (Fe3+0.5Mn2+0.5) and M3 = Mn2+.

scholarly journals Rb-=SUB=-1-x-=/SUB=-Cs-=SUB=-x-=/SUB=-NO-=SUB=-3-=/SUB=- (x=0.025, 0.05, 0.1) монокристаллы и их исследование методом высокотемпературной рентгенографии

2018 ◽  
Vol 52 (6) ◽  
pp. 565
Author(s):  
А.Ф. Хазиева ◽  
В.И. Насиров ◽  
Ю.Г. Асадов ◽  
Ю.И. Алыев ◽  
С.Г. Джабаров ◽  
...  
Keyword(s):  
Melting Point ◽  
Room Temperature ◽  
Diffraction Method ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Transformation Temperatures ◽  
X Ray ◽  
Cell Parameters

AbstractPolymorphic transformations in Rb_0.975Cs_0.025NO_3, Rb_0.950Cs_0.05NO_3, and Rb_0.90Cs_0.1NO_3 crystals grown by us have been studied by the X-ray diffraction method. Four different modifications are found for crystals in the range from room temperature to the melting point. The transformation temperatures and the unit-cell parameters are determined for the crystals of these modifications.

Synthesis and characterization of a new trimetallic compound (NH4)Ni2.4Co0.6O(OH)(MoO4)2•1.5H2O

2014 ◽  
Vol 29 (4) ◽  
pp. 379-382 ◽  
Author(s):  
Sandra Amaya ◽  
Johana Arboleda ◽  
Adriana Echavarría
Keyword(s):  
Thermal Analysis ◽  
Laser Raman Spectroscopy ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Laser Raman ◽  
Fourier Transformed Infrared Spectroscopy

A new trimetallic compound with formula (NH4)Ni2.4Co0.6O(OH)(MoO4)2•1.5H2O was obtained by hydrothermal synthesis. The solid was characterized by X-ray diffraction, thermal analysis (thermogravimetric analysis and differential thermal analysis), Fourier-transformed infrared spectroscopy, Laser Raman spectroscopy, and chemical analysis by atomic absorption, confirming the formation of the layered phase ϕy. Crystallographic studies showed that the compound obtained is trigonal with hexagonal unit-cell parameters, a = 6.0468 ± 0.0016 Å and c = 21.8433 ± 0.0001 Å, and space group R-3m.

The crystal structure of o-(1,2-dicarba-closo-dodecaborane-1-yl)methyl-cholesterol

1991 ◽  
Vol 56 (10) ◽  
pp. 1983-1992 ◽  
Author(s):  
Věra Šubrtová ◽  
Václav Petříček ◽  
Karel Malý
Keyword(s):  
Room Temperature ◽  
Valence Angle ◽  
X Ray Diffraction ◽  
Linear Absorption Coefficient ◽  
Unit Cell Parameters ◽  
Linear Absorption ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Temperature Radiation

The structure of C2B10H11.CH2C27H45O was determined by X-ray diffraction. This compound crystallizes in the orthorhombic system with the P212121 space group. The unit cell parameters are a = 994.0(4), b = 3 231.0(7), c = 1 039.6(2) pm, V = 3 338 . 106 pm3, Z = 4, calculated density Dc = 1.080Mg m-3. Mr = 542.9, linear absorption coefficient μ(MoK α) = 0.54 cm-1 F(000) = 1 184. Intensities were measured at room temperature, radiation used λ(MoK α) = 71.073 pm. Final R = 0.063 for 2 099 observed independent reflections. The studied molecule is built from ortho-carborane icosahedron connected with the cholesterol through the methylene CH2 group bonded to the icosahedral carbon atom C(B1) (C-C= 151.0(7) pm) and to the oxygen atom of the cholesterol (C-O = 138.3(7) pm). Valence angle C(B1)-C-O = 108(2)°, torsion angle C(B1)-C-O-C(3) = 164(4)°.

Mössbauer and X-ray data on β-FeOOH (akaganéite)

Clay Minerals ◽  
1979 ◽  
Vol 14 (4) ◽  
pp. 273-283 ◽  
Author(s):  
E. Murad
Keyword(s):  
Room Temperature ◽  
Mössbauer Spectra ◽  
Unit Cell ◽  
Mossbauer Spectrum ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Mossbauer Spectra ◽  
Hydrolysis Of

Abstractβ-FeOOH (akaganéite) was prepared by slow hydrolysis of an FeCl3 solution. X-ray diffraction measurements gave refined unit-cell parameters of a=10·535 Å, c=3·030 Å.Two doublets with δ(Fe)=0·39, ΔEQ=0·95, and δ=0·38, ΔEQ=0·55 mm s−1, respectively, can be fitted to the Mössbauer spectrum taken at room temperature.Magnetically split Mössbauer spectra were registered at 135 and 4°K. These can be resolved into at least three superimposed sextets, corresponding to different Fe3+ sites in the β-FeOOH structure. At 4°K a three sextet model gives parameters of δ=0·36, ΔEQ=0·90, Hi=473; δ=0·35, ΔEQ=0·30, Hi=479; and δ=0·37, ΔEQ=−0·05 mm s−1, Hi=486kOe, respectively.The complexity of the Mössbauer spectra of β-FeOOH limits the usefulness of this method as a tool for the identification of akaganéite in composite natural samples.

scholarly journals Synthesis, Crystal Structures and Characterization of Two Nonmetal Cation Tetrafluoroborates

Crystals ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 812
Author(s):  
Noura Othman Alzamil ◽  
Ghareeba Mussad Al-Enzi ◽  
Aishah Hassan Alamri ◽  
Insaf Abdi ◽  
Amor BenAli
Keyword(s):  
Thermal Analysis ◽  
Hydrofluoric Acid ◽  
Cell Parameter ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Microwave Assisted

Two new nonmetal cation tetrafluoroborate phases [H3tren](BF4)3 (I) and [H3tren](BF4)3 HF (II) were synthesized by microwave-assisted solvothermal and characterized by single crystal X-ray diffraction, IR spectroscopy and thermal analysis DTA-TGA. [H3tren](BF4)3 is cubic (P213) with unit cell parameter a = 11.688(1) Å. [H3tren](BF4)3•HF is trigonal (R3c) with unit cell parameters a = 15.297(6) Å and c = 12.007(2) Å. Both (I) and (II) structures can be described from isolated tetrafluoroborate BF4- anions, triprotonated tris-(2-aminoethyl)amine (tren) [H3tren]3+. Phase (II) contains disordered BF4- tetrahedron and hydrofluoric acid.

X-ray powder diffraction data for eluxadoline nitrate monohydrate, C32H35N5O5⋅2HNO3⋅H2O

2020 ◽  
Vol 35 (3) ◽  
pp. 213-215
Author(s):  
Xin Wei ◽  
Zi Li Suo ◽  
Man Zhang ◽  
Pei Xiao Tang ◽  
Hui Li
Keyword(s):  
Diffraction Data ◽  
Room Temperature ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Peaks

Single-crystal and powder X-ray diffraction data, collected at room temperature, unit-cell parameters and space group for eluxadoline nitrate monohydrate, C32H35N5O5⋅2HNO3⋅H2O, are reported [a = 11.066(5) Å, b = 13.452(6) Å, c = 24.373(9) Å, unit-cell volume V = 3628.15 Å3, Z = 4, ρcal = 1.344 g⋅cm−3, and space group P212121]. All the diffraction peaks in the experimental pattern have been indexed and are consistent with the P212121 space group.

Structural Study of the Compound [(C10O8H2)2 (C4N2H6)].2H2O Synthesized by Hydrothermal Condition

2013 ◽  
Vol 12 (7) ◽  
pp. 377-386
Author(s):  
Manel Halouani ◽  
M. Abdelhedi ◽  
M. Dammak ◽  
N. Audebrand ◽  
L. Ktari
Keyword(s):  
Aqueous Solution ◽  
Hydrothermal Condition ◽  
Carboxyl Group ◽  
X Ray Diffraction ◽  
Compound I ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Triclinic System ◽  
Metal Organic

A new metal–organic compound [(C10O8H2)2(C4N2H6)].2H2O(I) was hydrothermally synthesized from an aqueous solution of Fe (NO3)3 9H2O, (btec) (btec= 1, 2, 4, 5-benzenetetracarboxylic acid) and piperazine. Compound I crystallizes in the triclinic system with the P1 space group. The unit cell parameters are a = 8.271 Å, b = 8.500 Å, c = 9.660 Å, α = 87.12°, β = 89.53°, γ = 70.91°, Z= 2, V= 640.96(6) Å3 and Dx= 1.602g/cm3. The refinement converged into R= 0.047 and RW = 0.059. The structure, determined by single crystal X-ray diffraction, consists of two carboxyl group, piperazine and two molecules of water.

Sign in / Sign up

Export Citation Format

Share Document