The room-temperature superstructure of ZrP2O7 is orthorhombic: There are no unusual 180 degrees P-O-P bond angles
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A novel lithium zinc niobium oxide LiZnNb4O11.5 (LZNO) has been found in the Nb-rich part of Li2O–ZnO–Nb2O5 system. LZNO, with an original a-PbO2 related structure, has been synthesized by the routine ceramic technique and characterized by X-ray diffractio ...
An X-ray diffraction experiment on multilamellar membranes incorporated into an X-ray waveguide structure is reported. In the device, the lipid bilayers are confined to one side by the silicon substrate and to the other side by an evaporated thin metal cap ...
The title compound, C10H18, a decalin stereoisomer, crystallizes with Z' = 0.5 in the space group P21/n. The trans-decalin molecule is located on an inversion centre with both rings in a chair conformation, making for a quasi-flat overall shape. Despite th ...
Prepn. of the title compd. (I) from starting materials CI4 and AgAl{OC(CF3)3}4 was performed with the complete exclusion of light and with carefully purified diiodine-free CI4, since CI4 decomps. within minutes in soln. in light with formation of I2 ...
An La2Co1.7 crystal was investigated by single-crystal neutron and X-ray diffraction. The neutron measurement was performed with a Laue white-beam technique at 15 K and room temperature, using a large position-sensitive detector. The X-ray measurements wer ...
A first-principle molecular dynamics study on liquid GeSe2 yields structural properties in good agreement with detailed neutron scattering data. The short range order is accurately described by a variety of bonding configurations, in which regular tetrahed ...
We have solved and refined the crystal structure of the orthorhombic gamma-phase of Ca(BD4)(2) by combined synchrotron X-ray powder diffraction, neutron powder diffraction, and ab initio calculations. Among five structural candidates giving the same qualit ...
The preparation of single crystals suitable for X-ray analysis is frequently the most difficult step in structural studies of proteins.With the aid of two examples, it is shown that de novo solution of the crystallographic phase problem can be achieved at l ...
Metergoline is a dopamine agonist and serotonin antagonist used both in human and veterinary medicine. In addition to the previously known crystalline form, a new polymorph, which crystallizes from aqueous solution, was found. Since it was initially imposs ...
First-principles molecular dynamics simulations are carried out to study the structural properties of liquid GeSe2. We use a generalized gradient approximation for the exchange and correlation energy, which we find to improve significantly upon the local d ...
