The ternary phase diagram of the system Bi2O3-CdO-GeO2 was investigated in several isothermal sections using predominantly X-ray powder diffraction. The following phases are described with respect to their crystal chemistry, phase relations and powder patterns: Bi2−2xCd2x(O3−x⍽9+x) (solid solution with anti-α-AgI structure), CdGeO3 (complicated polymorphism), Bi12GeO20 (stoichiometric sillenite), Cd-sillenite (solid solution), Bi1.8Cd0.2GeO4.9 (metastable, new phase, new structure type with GeO5 polyhedra), Bi2CdGeO6 (new ternary oxide, new structure type).

Trigonal CdSb2O6, prepared as a very crystalline powder by solid state reaction of CdO and Sb2O3, is isostructural with PbSb2O6 Space Group (S.G.) P31m (162), with a = 5.2399(2), c = 4.8045(4) Å, Z = 1 and Dc = 6.57 Mg.m−3. For the refinement of structural parameters from X-ray powder diffraction data two different methods have been employed and compared, both leading to very similar results. The refinements converged to RI = 0.025 using 35 intensities in the incremental optimization technique and to RF = 0.038, RW = 0.033 from 161 reflections in the least-squares refinement.

Indexed powder diffraction patterns and related crystallographic data are reported for ErNiSb, which is not represented in the X-ray Powder Diffraction File. The compound ErNiSb is cubic [space group F43m, Z=4, a=6.2693(1) Å]. The R=0.067 indicates that experimental intensities agree well with the calculated patterns.

The present paper establishes that the ratio between the XRD pulse counts of cement clinkers at d=0.278 and 0.274 nm bears a distinct relationship with the degree of sintering of the clinker, which is one of the factors that determine the cement quality. The paper also presents a rapid and accurate method for predicting both 3- and 28-day compressive strength (CCS) of cement mortar cubes based on XRD of the cement clinkers. The method is based on an index Xn derived from the XRD pulse counts at d=0.2959 and 0.287 nm corresponding to alite (hkl=202) and belite (hkl=102) phases of the clinker, respectively. The regression equation derived for a particular plant is (1) 3 day CCS=Xn×240 kg/cm2, when Xn<1 and 240+26 (Xn−1) kg/cm2, when Xn>1, where Xnmaximum=5.5. (2) 28 day CCS=C+C×In/100, where C=3 days CCS estimated by XRD (1), In=90−10Xn, where Xnmax=5.5. Calculated CCS values, in average, vary from the conventional test values by +5.9% to −5.4% and +3.8% to −3.5% in cases of 3- and 28-day CCS, respectively.

Using the Rietveld profile method, the atomic coordinates and anisotropic temperature factors of KCaF3 were refined. At room temperature, KCaF3 crystallizes in monoclinic B21/m symmetry, with the lattice parameters: a=8.754(2) Å, b=8.765(4) Å, c=8.760(5) Å, β=90.48(3)°, V=672.1(3) Å3, Z=8. The refinement procedure was stopped when RB=0.05 and the Durbin–Watson statistic factor=0.85 had been reached. The structure determined is related to the tilting of CaF6 octahedra of the a−b+c− type, which are responsible for the monoclinic distortion in perovskite crystals.

This paper describes a straightforward method for the identification of the Miller indices associated with the face of a crystal of low symmetry. The method relies on orienting a crystal face parallel to the sample holder in the goniometer of a powder diffractometer. An intense diffractogram resulting from a single family of lattice planes parallel to the crystal face is obtained. The application of silicon powder to the surface of the crystal provides a means to correct 2Θ values for any misalignment of the crystal face. Calculated 2Θ and intensity values are used to assign the reflections from the corrected single-crystal diffractogram to a particular set of related lattice planes. In this paper are listed the corrected experimental 2Θ and intensity values for a particular face of a large single crystal of monoclinic hydroxylapatite and the theoretical 2Θ and intensity values for the h00 set of planes. Comparison of these parameters leads to the unambiguous assignment of that particular crystal face to the h00 Miller index.

It is known that solids with composition Na3Zr2Si2PO12 heated at 1200 °C crystallize in the nasicon structure. This material shows a high ionic conductivity that represents an interesting improvement in the field of solid electrolytes. Our experimental results allow to establish for the first time that nasicon structures are stable along the compositional join Na3Zr2−x/4Si2−xP1+xO12 with x extending from 0 to 1.667. These structures are characterized by a Zr underoccupation of octahedral sites and a constant number of Na+ ions. This fact envisages a possible application of these materials in the field of ceramic sensors and ionic conductors.

Indexed X-ray powder diffraction data are reported for the semiconducting compound Ba2Cl2Cu3O4. The structure was refined by the Rietveid technique on the basis of the space group I4/mmm. Refined unit cell dimensions are a = 5.5156(1) Å, c = 13.8221(3) Å, V = 420.49 Å3Dx = 4.74 g/cm3, F30 = 129(0.0075,30), M20 = 121, Rp = 6.58, Rwp = 8.66, and RB = 4.49.

X-ray powder diffraction data for buckminsterfullerene, C60 are reported. The crystal structure is a face-centered cubic unit cell with a = 14.165 (1) Å. The reference intensity ratio (I/Icor) is 2.20.

Precise X-ray powder diffraction patterns for the tetragonal form of Li3B5O8(OH)2 were obtained using a Huber camera; photographs were taken at 22 °C with CuKα1 radiation (λ =1.5406 Å) and with Si as internal standard (a = 5.4308 Å). Refinements of indexed reflections yielded the following parameters: a = 6.8455(4)Å, c = 14.551(1)Å, space group P41212, Z = 4, Dx = 2.31, and Dm = 2.28 g/cm3. The Smith–Snyder figure of merit of F30 = 97(O.OO7,45) compares to that of F30 = 2.6(0.206,57) reported for the existing pattern in the Powder Diffraction File (34-1070).

Indexed X-ray powder diffraction data and crystal data are reported for: synthetic pargasite (P: NaCa2Mg4AlSi6Al2O22(OH)2), fluor-pargasite (FP: NaCa2Mg4AlSi6Al2O22F2), scandian pargasite (SP: NaCa2Mg4.4Sc0.6Si6Al2O22(OH)2) and scandian fluor-pargasite (SFP: NaCa2Mg4.2Sc0.8Si6Al2O22F2).

A rapid whole-pattern profile-matching procedure for the quantitative assessment of multiphase powder diffraction patterns is described. Using a position-sensitive detector, with fixed beam-sample-detector geometry, we report on the efficacy and speed of this method in the quantitative assessment of four different multiphase samples.

Ammonium manganese phosphate monohydrate (NH4MnPO4.H2O) has been investigated by means of X-ray powder diffraction. The title compound is orthorhombic with unit-cell parameters a=5.7289(11), b=8.8167 (12), and c=4.9098 (8) Å.

Two new solubility-limiting phases relevant to nuclear waste disposal are reported, namely CeSiO4 and Ca2Ce8(SiO4)O2, produced by hydrothermal synthesis at 180 °C. X-ray diffraction data are presented for both compounds. Rietveld refinement was performed for each of these phases. CeSiO4 was confirmed to be a zircon structure type, with space group I41/amd, unit celltype="bold">abold=6.9564(3),type="bold">cbold=6.1953(4) Å. Bond lengths for SiO4 are in excellent agreement with published values; Ce4+ is coordinated to eight oxygen atoms with four regular and four short bonds. Ca2Ce8(SiO4)O2 was shown to have an apatite structure, with space group P63/m and unit celltype="bold">abold=9.4343(3),type="bold">cbold=6.8885(4) Å. The unit cell and bond lengths were found to be slightly smaller than would be expected from other lanthanide-containing analogs; possible reasons for this are discussed.