Etude structurale du fluorure de chloryle en phase solide

1978 ◽  
Vol 56 (12) ◽  
pp. 1634-1637 ◽  
Author(s):  
Georges Tantot ◽  
Philippe Joubert ◽  
Roland Bougon
Keyword(s):  
Neutron Diffraction ◽  
Powder Diffraction ◽  
Solid Phase ◽  
Density Measurements ◽  
Space Group ◽  
X Ray ◽  
Orthorhombic Cell ◽  
Diffraction Patterns ◽  
Monoclinic Cell

Chloryl fluoride, ClO2F was studied in its solid phase by X-ray and neutron diffraction techniques and by vibrational spectroscopy.The powder diffraction patterns of ClO2F were indexed by comparison with ClF3. At 77 K, the parameters of the monoclinic cell of ClO2F are as follows: a = 8.85 ± 0.02 Å, b = 6.17 ± 0.02 Å, c = 4.62 ± 0.01 Ǻ, β = 95.0 ± 0.1°, Z = 4. This cell, which can be thought as arising from a slight monoclinic deformation of the orthorhombic cell of ClF3, is consistent with the density measurements also performed on ClO2F and ClF3.The space group [Formula: see text] was found to be the best compatible with both the vibrational data and the lines observed in the powder diffraction patterns for ClO2F in the polycrystalline state.

New X-ray powder diffraction data for heterometallic complexes with unsaturated organic ligands Cp(CO)2MnPt(μ-C=CHPh)(η2-dppm), [Cp(CO)2MnCu(μ-C=CHPh)]2(μ-Cl)2, CpMnFe2(μ3-C=CHPh)(CO)8 and η4-[Cp(CO)2MnC(CO)CHPh]Fe(CO)3(Cp=η5-C5H5;dppm=Ph2PCH2PPh2)

2005 ◽  
Vol 20 (3) ◽  
pp. 246-253
Author(s):  
Alla B. Antonova ◽  
Oleg S. Chudin ◽  
Sergei D. Kirik
Keyword(s):  
Powder Diffraction ◽  
Heterometallic Complexes ◽  
Carbonyl Complexes ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Orthorhombic Cell ◽  
Monoclinic Cell ◽  
Good Agreement

Four heterometallic carbonyl complexes: (1) Cp(CO)2MnPt(μ-C=CHPh)dppm) (2) [Cp(CO)2MnCu(μ-C=CHPh)(μ-Cl)]2, (3) CpMnFe2(μ3-C=CHPh)(CO)8, and (4) η4-[Cp(CO)2MnC(CO)CHPh]Fe(CO)3 have been studied by X-ray powder diffraction and their unit cell parameters are reported. Orthorhombic cell parameters for complex (1) are a=18.5719(14) Å, b=18.6092(14) Å, c=23.8117(18) Å, Z=8, space group Pbca. Monoclinic cell parameters found for complex (2) are a=11.5816(5) Å, b=7.9784(5) Å, c=16.7819(7) Å, β=105.460(2)°, Z=2, space group P21∕n. Orthorhombic cell parameters for complex (3) are a=13.5260(9) Å, b=15.1487(10) Å, c=10.3330(6) Å, Z=4, space group Pna21. Monoclinic cell parameters for complex (4) are a=10.3545(45) Å, b=8.0002(43) Å, c=21.8355(95) Å, β=102.89(2), Z=4, space group P21∕c. Parameters found for complexes (1–4) are in good agreement with those obtained from single crystal X-ray diffractometry.

New X-ray powder diffraction data for the series CpMn(CO)3, Cp(CO)2Mn=C=CHPh, [Cp(CO)2Mn]2(μ-C=CHPh), and [Cp(CO)2Mn]2(μ-C4Ph2) complexes (Cp=η5-C5H5)

2004 ◽  
Vol 19 (2) ◽  
pp. 165-171 ◽  
Author(s):  
Alla B. Antonova ◽  
Oleg S. Chudin ◽  
Sergei D. Kirik
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Diffraction Method ◽  
Carbonyl Complexes ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Orthorhombic Cell ◽  
Manganese Carbonyl ◽  
Monoclinic Cell

Four manganese carbonyl complexes: CpMn(CO)3 (1) and its phenylvinylidene derivatives Cp(CO)2Mn=C=CHPh (2), [Cp(CO)2Mn]2(μ-C=CHPh) (3), and Cp(CO)2Mn=C=C(Ph)–C(Ph)=C=Mn(CO)2Cp (4) have been studied by X-ray powder diffraction and their unit cell parameters are reported. The monoclinic cell parameters found for complex (1) are a=12.0479(7) Å, b=7.0614(5) Å, c=10.9172(6) Å, β=117.626(2)°, Z=4, space group P2(1)/a (No. 14). The orthorhombic cells parameters for complex (2) are a=10.5240(12) Å, b=33.1105(48) Å, c=7.5007(9) Å, Z=8, space group PCCN (No. 56); for complex (3) are a=15.3545(17) Å, b=15.3966(18) Å, c=8.0033(7) Å, Z=4, space group P21212121 (No. 19). The parameters found for complexes (1–3) are in good agreement with those obtained from single crystal X-ray diffractometry. The single crystal structure of complex (4) has not been studied. The orthorhombic cell parameters for complex (4) found by X-ray powder diffraction method are a=10.0986(9) Å, b=33.2937(27) Å, c=7.4139(5) Å, Z=4, space group P21 (No. 4).

Crystal data and X-ray powder diffraction data of 2,4-diiodo-4-nitrophenol (disophenol), C6H3I2NO3. More precise X-ray powder diffraction data of p-nitrophenol, C6H5NO3

1996 ◽  
Vol 11 (4) ◽  
pp. 301-304
Author(s):  
Héctor Novoa de Armas ◽  
Rolando González Hernández ◽  
José Antonio Henao Martínez ◽  
Ramón Poméz Hernández
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

p-nitrophenol, C6H5NO3, and disophenol, C6H3I2NO3, have been investigated by means of X-ray powder diffraction. The unit cell dimensions were determined from diffractometer methods, using monochromatic CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found for p-nitrophenol was a=6.159(2) Å, b=8.890(2) Å, c=11.770(2) Å, β=103.04(2)°, Z=4, space group P21 or P2l/m, Dx=1.469 Mg/m3. The monoclinic cell found for disophenol has the dimensions a=8.886(1) Å, b=14.088(2) Å, c=8.521(1) Å, β=91.11(1)°, Z=4, space group P2, P2, Pm or P2/m, Dx=2.438 Mg/m3.

Powder X-Ray Diffraction Data for Ca2Bi2O5and C4Bi6O13

1992 ◽  
Vol 7 (2) ◽  
pp. 109-111 ◽  
Author(s):  
C.J. Rawn ◽  
R.S. Roth ◽  
H.F. McMurdie
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Neutron Powder Diffraction ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Powder Samples ◽  
Orthorhombic Cell ◽  
Unit Cell Dimensions

AbstractSingle crystals and powder samples of Ca2Bi5O5and Ca4Bi6O13have been synthesized and studied using single crystal X-ray diffraction as well as X-ray and neutron powder diffraction. Unit cell dimensions were calculated using a least squares analysis that refined to a δ2θof no more than 0.03°. A triclinic cell was found with space group , a = 10.1222(7), b = 10.1466(6), c = 10.4833(7) Å. α= 116.912(5), β= 107.135(6) and γ= 92.939(6)°, Z = 6 for the Ca2Bi2O5compound. An orthorhombic cell was found with space group C2mm, a = 17.3795(5), b = 5.9419(2) and c = 7.2306(2) Å, Z = 2 for the Ca4Bi6O13compound.

X-ray powder diffraction data for compound DyNiSn

1997 ◽  
Vol 12 (3) ◽  
pp. 134-135
Author(s):  
Liangqin Nong ◽  
Lingmin Zeng ◽  
Jianmin Hao
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Figure Of Merit ◽  
Room Temperature ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Diffraction Patterns

The compound DyNiSn has been studied by X-ray powder diffraction. The X-ray diffraction patterns for this compound at room temperature are reported. DyNiSn is orthorhombic with lattice parameters a=7.1018(1) Å, b=7.6599(2) Å, c=4.4461(2) Å, space group Pna21 and 4 formula units of DyNiSn in unit cell. The Smith and Snyder Figure-of-Merit F30 for this powder pattern is 26.7(0.0178,63).

X-ray powder diffraction data for ammonium hydrogen (acid) urate, NH4C5H3N4O3

1999 ◽  
Vol 14 (4) ◽  
pp. 305-307 ◽  
Author(s):  
Rodney T. Tettenhorst ◽  
Roger E. Gerkin
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Title Compound ◽  
Powder Pattern ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Ammonium Hydrogen ◽  
Monoclinic Cell

Crystal and X-ray powder diffraction data are presented for the title compound. The powder pattern was indexed and refined on a monoclinic cell with a=17.356(6) Å, b=3.528(1) Å, c=11.285(1) Å, β=94.23(2) Å. The cell volume and Dm=1.772 g/cm3 give Z=4. The space group could not be determined with certainty. The planes of the urate anions likely are stacked parallel or nearly parallel to (010).

X-ray powder diffraction data of anilinium trimolybdate tetrahydrate and anilinium trimolybdate dihydrate

1999 ◽  
Vol 14 (4) ◽  
pp. 280-283 ◽  
Author(s):  
A. Rafalska-Łasocha ◽  
W. Łasocha ◽  
M. Michalec
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns

The X-ray powder diffraction patterns of anilinium trimolybdate tetrahydrate, (C6H5NH3)2Mo3O10·4H2O, and anilinium trimolybdate dihyhydrate, (C6H5NH3)2Mo3O10·2H2O, have been measured in room temperature. The unit cell parameters were refined to a=11.0670(7) Å, b=7.6116(8) Å, c=25.554(3) Å, space group Pnma(62) and a=17.560(2) Å, b=7.5621(6) Å, c=16.284(2) Å, β=108.54(1)°, space group P21(4) or P21/m(11) for orthorhombic anilinium trimolybdate tetrahydrate and monoclinic anilinium trimolybdate dihydrate, respectively.

An X-ray diffraction study of semiconductor and metallic vanadium dioxide

1993 ◽  
Vol 8 (4) ◽  
pp. 240-244 ◽  
Author(s):  
K. D. Rogers
Keyword(s):  
Vanadium Dioxide ◽  
Room Temperature ◽  
Transition Process ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Coexistence Of Phases ◽  
Diffraction Patterns ◽  
Tetragonal Cell ◽  
Monoclinic Cell

Powder diffraction data for semiconductor and metallic states of vanadium dioxide are presented. The structures are refined by Rietveld methods using a monoclinic cell (a = 5.7529Å, b = 4.5263Å, c = 5.3825Å, β = 122.61°) and space group P21/c for the room temperature data, and a tetragonal cell (a =4.5540Å, c = 2.8557Å) and space group P42/mnm for data collected at 400 K. The similarity between the corresponding X-ray diffraction patterns is discussed. The transition process from the monoclinic to tetragonal phase is investigated and initial evidence for the coexistence of phases over a small temperature range is presented.

Nelenite, a manganese arsenosilicate of the friedelite group, polymorphous with schallerite, from Franklin, New Jersey

1984 ◽  
Vol 48 (347) ◽  
pp. 271-275 ◽  
Author(s):  
Pete J. Dunn ◽  
Donald R. Peacor
Keyword(s):  
New Jersey ◽  
Smithsonian Institution ◽  
Coarse Grained ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Sussex County ◽  
Mohs Hardness ◽  
Diffraction Patterns ◽  
Monoclinic Cell

AbstractNelenite, (Mn,Fe)16si12O30(OH)14[O6 (OH)3], is a polymorph of schallerite and a member of the friedelite group. X-ray diffraction patterns can be indexed on a supercell with a = 13.418(5) and c = 85.48(8)A, space group Rm, but by analogy with TEM results on mcGillite and friedelite, the structure is based on a one-layer monoclinic cell with a = 23.240, b = 13.418, c = 7.382 Å, β = 105.21°, and space group C2/m. Chemical analysis yields SiO2 31.12, FeO 17.12, MgO 0.12, ZnO 3.63, MnO 29.22, As2O3 12.46, H2O 6.42, sum = 100.09%. Analysis of a number of samples indicates that Fe substitutes for Mn up to 5.8 of the 16 octahedrally coordinated cations, but that the Si: As ratio is constant. The strongest lines in the X-ray powder diffraction pattern (d, I/Io) are: 2.552,100; 2.878,70; 1.677,60; 3.55,60; 1.723,50.Nelenite is brown in colour with a vitreous luster and perfect {0001} cleavage, which easily distinguishes it from schallerite. The Mohs' hardness is approximately 5. The density is 3.45 g/cm3 (calc.) and 3.46 g/cm3 (obs.). Nelenite is uniaxial negative with ɛ = 1.700 and ω = 1.718 (both ± 0.004). Nelenite was formerly known as ferroschallerite, which is a misnomer. It was found in the Franklin Mine, Franklin, Sussex County, New Jersey, in the 1920s. It occurs in several parageneses, associated with actinolite, tirodite, albite, garnet, feldspars, and several members of the stilpnomelane group in coarse-grained assemblages with pegmatitic texture and a breccia likely derived from this rock. Nelenite is named in honour of Joseph A. Nelen, chemist at the Smithsonian Institution.

X-ray powder diffraction studies of (BaxSr1−x)2Co2Fe12O22 and (BaxSr1−x)Co2Fe16O27

2015 ◽  
Vol 30 (2) ◽  
pp. 139-148 ◽  
Author(s):  
W. Wong-Ng ◽  
G. Liu ◽  
Y. Yan ◽  
K. R. Talley ◽  
J. A. Kaduk
Keyword(s):  
Seebeck Coefficient ◽  
Powder Diffraction ◽  
Lattice Parameters ◽  
Hexagonal Ferrite ◽  
Layered Compounds ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray ◽  
Diffraction Patterns

X-ray structural characterization and X-ray reference powder patterns have been determined for two series of iron- and cobalt-containing layered compounds (BaxSr1−x)2Co2Fe12O22 (x = 0.2, 0.4, 0.6, 0.8) and (BaxSr1−x)Co2Fe16O27 (x = 0.2, 0.4, 0.6, 0.8). The (BaxSr1−x)2Co2Fe12O22 series of compounds crystallized in the space group R$\bar 3$m (No. 166), with Z = 3. The structure is essentially that of the Y-type hexagonal ferrite, BaM2+Fe63+O11. The lattice parameters range from a = 5.859 15(8) to 5.843 72(8) Å, and c = 43.4975(9) to 43.3516(9) Å for x = 0.2 to 0.8, respectively. The (BaxSr1−x)Co2Fe16O27 series (W-type hexagonal ferrite) crystallized in the space group P63/mmc (No. 194) and Z = 2. The lattice parameters range from a = 5.902 05(12) to 5.8979(2) Å and c = 32.9002(10) to 32.8110(13) Å for x = 0.2 to 0.8. Results of measurements of the Seebeck coefficient and resistivity of these two sets of samples indicated that they are insulators. Powder X-ray diffraction patterns of these two series of compounds have been submitted to be included in the Powder Diffraction File.

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