Basic halides and related species of molybdenum(III). I. The empirical formulae and unit cell dimensions of the basic halides

1976 ◽  
Vol 29 (4) ◽  
pp. 711 ◽  
Author(s):  
DJ Stabb
Keyword(s):  
Evolved Gas Analysis ◽  
Gas Analysis ◽  
Unit Cell ◽  
Water Molecules ◽  
Orthorhombic Unit Cell ◽  
Evolved Gas ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The basic halides MoOX(H2O), (X = F, Cl) were examined by vacuogravimetric and evolved gas analysis and by X-ray and electron diffraction techniques. The basic chloride prepared by slow crystallization had y = 3.08, with an orthorhombic unit cell 0.723 by 0.820 by 1.805 nm. Basic chlorides produced by rapid precipitation were less crystalline, of slightly larger unit cell dimensions and had 3.0 < y < 4.3. The water in excess of y = 3 was loosely held, while three water molecules per molybdenum were more strongly held. The fluoride, which could not be obtained with the perfect MoOF(H2O)3 stoichiometry, was isomorphous (cell parameters 0.710 by 0.823 by 1.824 nm for [MoOF0.96(OH)0.04(H2O)3] (H2O)0.28). It is concluded that the only hydrate of MoOX existing under normal conditions is MoOX(H2O)3, not the previously reported tetrahydrate.

Crystal Data for Complexes of Co(II) and Ni(II) Perchlorates with Mepirizole

1992 ◽  
Vol 7 (3) ◽  
pp. 166-168
Author(s):  
J.M. Amigó ◽  
L.E. Ochando ◽  
M.M. Reventós ◽  
J. García-Lozano ◽  
L. Soto-Tuero
Keyword(s):  
Powder Diffraction ◽  
Unit Cell ◽  
Crystal Data ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

AbstractMetal mepirizole perchlorates, M(C11H14N4O2)3 (C104)2 where M = Co(II) and Ni(II) have been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined by indexing programs from diffractometer data. Refined cell parameters (monoclinic with a C-centered cell), calculated density and Z values are presented.

scholarly journals On the Use of a Modified Radial Distribution Analysis for Indexing Powder Patterns

1962 ◽  
Vol 6 ◽  
pp. 18-24
Author(s):  
A. F. Berndt
Keyword(s):  
Radial Distribution ◽  
Unit Cell ◽  
Powder Pattern ◽  
Distribution Analysis ◽  
Trial And Error ◽  
Orthorhombic Unit Cell ◽  
X Ray ◽  
Tetragonal Unit Cell ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

AbstractA modification of the theory of X-ray radial distribution analysis is presented. This modification can serve as a guide to the values of the unit cell dimensions and may be useful in indexing powder patterns of unknown structures, although the use of trial and error methods is not eliminated. This technique is shown to give consistent results with known structures and is applied to the indexing of powder patterns of Pu3Ru and Pu5Ru3. The powder pattern of Pu3Ru can be indexed on the basis of an orthorhombic unit cell with a0 = 6.216 Å, b0 = 6.924 Å, and c0 = 8.093 Å, and Pu5Ru3 on the basis of a tetragonal unit cell with a0 = 8.092 Å and c0 - 10.023 Å.

X-ray powder diffraction pattern for lactitol and lactitol monohydrate

1994 ◽  
Vol 9 (3) ◽  
pp. 213-216 ◽  
Author(s):  
J. Valkonen ◽  
P. Perkkalainen ◽  
I. Pitkänen ◽  
H. Rautiainen
Keyword(s):  
Powder Diffraction ◽  
Least Squares Method ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Diffraction Patterns ◽  
Unit Cell Dimensions

Diffraction patterns were recorded, and unit cell dimensions refined by the least-squares method, for lactitol and lactitol monohydrate. Refined unit cell parameters for lactitol are: a =7.622(1) Å, b = 10.764(2) Å, c = 9.375(1) Å, β= 108.25(1)° in space group P21, and those for lactitol monohydrate a =7.844(1) Å, b = 12.673(2) Å, c = 15.942(2) Å in space group P212121.

Site-occupancy scheme in disordered Ca3RE2(BO3)4: a dependence on rare-earth (RE) ionic radius

2021 ◽  
Vol 77 (3) ◽  
Author(s):  
Katarzyna M. Kosyl ◽  
Wojciech Paszkowicz ◽  
Roman Minikayev ◽  
Alexey N. Shekhovtsov ◽  
Miron B. Kosmyna ◽  
...  
Keyword(s):  
Rare Earth ◽  
Ionic Radius ◽  
Site Occupancy ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Interatomic Distances ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The structures of polycrystalline Ca3RE2(BO3)4 (RE = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Y; space group Pnma) orthoborates were determined using powder X-ray diffraction. Trends in the unit-cell dimensions and yet unreported trends in other structural properties (interatomic distances and the fractional occupation of three Ca/RE sites) for these compounds are demonstrated as a function of RE ionic radius. The unit-cell volume and a unit-cell parameter present a linear dependence, while the b and c unit-cell parameters change in a nonlinear manner. For the whole series, the RE atoms are present at all three cationic sites (labelled as M1, M2 and M3), but the fractional occupancies depend on the RE ionic radius. The small rare-earth atoms tend to enter mainly the M3 site; for the larger rare earths, the occupancy of this site decreases sharply. The occupancy of the M1 site by RE atoms is around 0.5 and tends to increase with increasing RE ionic radius. The M2 site is the least preferentially occupied by RE ions, but the occupancy discernibly increases with rising radius as well. These findings are assembled with properties of isostructural strontium and barium borates, allowing prediction of occupancy schemes for not yet investigated compounds from the A 3RE2(BO3)4 (A = Ca, Ba, Sr).

Crystal Data for Metal Cimetidine Isotiocionates: M(CM)2(NCS)2 (M = Co(II), Ni(II), Cu(II))

1992 ◽  
Vol 7 (4) ◽  
pp. 231-235
Author(s):  
J.M. Amigó ◽  
L.E. Ochando ◽  
M.M. Reventós ◽  
M.A. Martínez ◽  
L. Soto-Tuero ◽  
...  
Keyword(s):  
Powder Diffraction ◽  
Unit Cell ◽  
Crystal Data ◽  
Primitive Cell ◽  
X Ray ◽  
Cell Parameters ◽  
Powder Diffractometer ◽  
Cell Dimensions ◽  
Z Value ◽  
Unit Cell Dimensions

AbstractMetal cimetidine isothiocyanates, M(C10H16SN6)2(NCS)2, where M = Co(II), Ni(II) and Cu(II), have been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined from powder diffractometer data. Refined cell parameters (monoclinic with a primitive cell), powder data, calculated densities and Z value are presented.

Crystal data of Nitrofurantoin C8H6N4O5

1993 ◽  
Vol 8 (2) ◽  
pp. 107-108 ◽  
Author(s):  
G. Bandoli ◽  
A. Ongaro ◽  
F. Lotto ◽  
M. Rossi
Keyword(s):  
Diffraction Analysis ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Crystal Data ◽  
Unit Cell Parameters ◽  
Powder Diffraction File ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

X-ray powder diffraction of Nitrofurantoin C8H6N4O5 reveals that the compound crystallizes in a monoclinic unit cell with the powder data unit cell parameters of a = 7.852(2), b= 6.497(1), c = 18.927(5) Å, β=93.15(2)°, V=964.1(2) Å3. The unit cell dimensions determined by single crystal agree very well with those of powder diffraction analysis. A comparison with the Powder Diffraction File (PDF) 34-1603 indicates that the present data provide a more precise match to the unit cell, include additional weak reflections, along with the indexing of the powder pattern.

Crystal Data of Diltiazem Hydrochloride C22H26N2O4S·HCl

1990 ◽  
Vol 5 (3) ◽  
pp. 160-161
Author(s):  
I. Mayer ◽  
S. Cohen ◽  
L. Tsamir
Keyword(s):  
Diffraction Analysis ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Diltiazem Hydrochloride ◽  
Orthorhombic Unit Cell ◽  
Single Crystal Diffraction ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Crystallization Conditions ◽  
Unit Cell Dimensions

AbstractX-ray powder diffraction analysis of Diltiazem Hydrochloride C22H26N2O4S·HCl reveals that the compound crystallizes in an orthorhombic unit cell with the powder data unit cell parameters of a=9.08(1), b=42.09(4), c=6.03(1) Å, V=2305 Å3. The unit cell dimensions determined by single crystal diffraction analysis agree well with those of powder diffraction analysis. Samples prepared under different crystallization conditions yielded the same powder patterns.

Hydroxyl-bastnaesite-(Nd), a new mineral from Montenegro, Yugoslavia

1985 ◽  
Vol 49 (354) ◽  
pp. 717-720 ◽  
Author(s):  
Zoran Maksimović ◽  
György Pantó
Keyword(s):  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Electron Probe ◽  
Evolved Gas Analysis ◽  
Gas Analysis ◽  
New Mineral ◽  
Electron Probe Analysis ◽  
Evolved Gas ◽  
X Ray ◽  
Cell Dimensions

AbstractHydroxyl-bastnaesite-(Nd), the Nd- and OH-dominant new member of the bastnaesite group, has been found in the red karstic bauxites near Nikšić, Montenegro. It occurs as whitish, irregular aggregates of crystals usually 100–200 µm in diameter. Hexagonal with the cell dimensions a = 7.191 and c = 9.921 Å, with Z = 6. The strongest lines of the X-ray powder diffraction pattern (d, I, hkl) are: 4.95 80(002); 3.596 79(110); 2.911 100(112); 2.077 29(300); 2.042 51(114); 1.914 30(302). The mineral is uniaxial positive, ω 1.715, ɛ 1.81; Dcalc 4.89 g/cm3.Electron probe analysis, using garnet, apatite and synthetic glass standards, combined with thermogravimetric and evolved gas analysis, gave Y2O3 0.2, La2O3 27.1, Ce2O3 0.3, Pr2O3 8.5, Nd2O3 31.5, Sm2O3 4.4, Eu2O3 1.3, Gd2O3 1.4, CaO 0.3, F 3.3, H2O 2.26, CO2 20.63, sum 101.19, less O = F 1.39, total 99.80%. This analysis calculates to (Nd0.41La0.36Pr0.11Sm0.06Gd0.02 Eu0.02Ca0.01)Σ0.99(CO3)1.03[(OH)0.55F0.38]Σ0.93, or ideally, (Nd,La)CO3(OH,F), with Nd > La and OH > F.

Crystallization and preliminary X-ray studies on the molbindin ModG from Azotobacter vinelandii

1999 ◽  
Vol 55 (7) ◽  
pp. 1356-1358 ◽  
Author(s):  
Clare E. M. Williams ◽  
Daniel J. White ◽  
Laure Delarbre ◽  
Lesley A. Mitchenall ◽  
Richard N. Pau ◽  
...  
Keyword(s):  
Marked Improvement ◽  
Azotobacter Vinelandii ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Vapour Diffusion ◽  
Unit Cell Dimensions

Crystals of the molbindin ModG (subunit Mr = 14359 Da), a cytoplasmic molybdate-binding protein from Azotobacter vinelandii, were grown by vapour diffusion. Both apo and tungstate-bound forms were crystallized and X-ray data were collected at 100 K. Apo-ModG crystallizes in space group P6322, with unit-cell dimensions a = b = 90.62, c = 79.46 Å. Native data to a resolution of 2.5 Å were collected from a single crystal, which showed a marked improvement in diffraction quality after annealing. Data from a single-site gold derivative were also collected at 2.7 Å resolution. Crystals of the ligand-bound form of ModG belong to space group P321, with unit-cell parameters a = b = 50.57, c = 79.29 Å. X-ray data to a resolution of 2.0 Å were collected.

The External Shape of Human γ GI Immunoglobulin from Crystal Sections

1971 ◽  
Vol 29 ◽  
pp. 428-429
Author(s):  
L. W. Labaw
Keyword(s):  
Molecular Weight ◽  
Sodium Phosphate ◽  
Osmium Tetroxide ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Large Molecular Weight ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Crystallographic Axes

Crystals of a human γGl immunoglobulin have the external morphology of diamond shaped prisms. X-ray studies have shown them to be monoclinic, space group C2, with 2 molecules per unit cell. The unit cell dimensions are a = 194.1, b = 91.7, c = 51.6Å, 8 = 102°. The relatively large molecular weight of 151,000 and these unit cell dimensions made this a promising crystal to study in the EM.Crystals similar to those used in the x-ray studies were fixed at 5°C for three weeks in a solution of mother liquor containing 5 x 10-5M sodium phosphate, pH 7.0, and 0.03% glutaraldehyde. They were postfixed with 1% osmium tetroxide for 15 min. and embedded in Maraglas the usual way. Sections were cut perpendicular to the three crystallographic axes. Such a section cut with its plane perpendicular to the z direction is shown in Fig. 1.This projection of the crystal in the z direction shows periodicities in at least four different directions but these are only seen clearly by sighting obliquely along the micrograph.

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