Monitoring coastal change from space  British Geological Survey

Funding awarded for study on hydrogen storage potential in the East Midlands  British Geological Survey

BGS joins new initiative supporting technical career paths  British Geological Survey

New appointments to BGS Science Advisory Committee  British Geological Survey

Electromagnetic geophysics in Japan: a conference experience  British Geological Survey

UK Minerals Yearbook 2023 now available to download  British Geological Survey

Forty years and counting: new topsoil data provides most extensive snapshot of environmental pollution effects  British Geological Survey

2024 BGS summer placements scheme  British Geological Survey

Local MP helps BGS launch a ‘living laboratory’  British Geological Survey

What lies beneath Liverpool?  British Geological Survey

New underground observatory open for research  British Geological Survey

BGS Open Day 2024  British Geological Survey

New community launched to support effective management of the subsurface  British Geological Survey

World Mineral Production 2018 to 2022 is now available  British Geological Survey

Seabed geology data: stakeholder consultation  British Geological Survey

BGS announces collaboration with Ordnance Survey  British Geological Survey

Geochemistry and health in the Kenyan Rift Valley  British Geological Survey

Quake it off: Taylor Swift concerts shake Edinburgh  British Geological Survey

The thio­nocarbonate of trans-cyclo­octenediol, C9H12O2S, crystallizes with a 9/1 disorder in the position of the R,R and S,S-enanti­omers. As a result of trans-annulation, both rings adopt a twist conformation.

In the crystal structure of the title compound, inter­molecular N—H⋯N and N—H⋯O hydrogen bonds form a two-dimensional supra­molecular network along the ac plane, contributing to the cohesion of the crystal.

In the title compound, the symmetric phosphate derived from para-chloro­phenol and phospho­ric acid, two of the three aromatic moieties adopt syn-orientation towards the P&z-dbnd;O bond while the last chloro­phenol ring is pointing away from this bond. In the extended structure, C—H⋯O bonds connect the individual mol­ecules into sheets lying perpendicular to the crystallographic b axis.

The crystal structure of a neo­pentyl­oxypillar[5]arene with two pyridine mol­ecules encapsulated in the macrocyclic cavity is reported.

The title compound was synthesized by the condensation between tri­fluoro­methyl­aniline and di­chloro­salicyl­aldehyde by nucleophilic addition, forming a hemiaminal, followed by a dehydration to generate an imine. The compound crystallizes in an ortho­rhom­bic Pbca (Z = 8) space group with a dihedral angle of 44.70 (5)° between the two aromatic rings. In the crystal, the mol­ecules pack together to form a zigzag pattern along the c axis.

The crystal structure of a pyrrolidine analogue obtained from the stereoselective reduction of the enolic form of 4-hy­droxy-2-furyl-pyrrole­carboxyl­ate is described.

A recently discovered β polymorph of 1,3-diacetylpyrene has turned out to be a prominent negative thermal expansion material. Its unique properties can be linked to anharmonic oscillations in the crystal structure. The onset and development of anharmonic behavior have been successfully tracked over a wide temperature range by single-crystal X-ray diffraction experiments. Sufficient diffraction data quality combined with modern quantum crystallography tools allowed a thorough analysis of the elusive anharmonic effects for a moderate-scattering purely organic compound.

This study explores the high-pressure behavior of benzo[a]pyrene, revealing two previously unknown polymorphs at 4.8 and 7.1 GPa. These findings enhance our understanding of the structural dynamics and stability of polycyclic aromatic hydro­carbons under extreme conditions.

(Time-resolved) macromolecular crystallography at the new ESRF-ID29 beamline is described.

The structure of Ni3V2O8 was studied using X-ray diffraction at temperatures of 299 and 1323 K. No phase transition at high temperature is observed. The variation in V—O bond length is small as compared with the Ni—O bond due to its high rigidity.

Crystal structure and topology of two new thiosulfates formed with mono- and diprotonated species of 1-methylpiperazine is reported.

The results of the seventh blind test of crystal structure prediction are presented, focusing on structure generation methods.

A detailed structural characterization of the δ1-MnZn9.7 phase is presented.

The results of the seventh blind test of crystal structure prediction are presented, focusing on structure ranking methods.

Incommensurate phase of potassium guaninate monohydrate is the first example of a modulation in purine derivatives and of a high-pressure incommensurate crystal structure to be solved for an organic compound.

The crystal structure of calcium atorvastatin trihydrate was redetermined from previously published synchrotron powder diffraction data to give a much-improved agreement with two independent density-functional theory calculations.

We show that the interplay of multiple magnetic sublattices in Er2CuMnMn4O12 leads to four magnetic phase transitions characterized by the onset of ferrimagnetic order, spin-reorientation, spin canting, and the polarization of Er ions. While we elucidate numerous features of this complex magnetic system, the exact nature of the low-temperature coupling between erbium and manganese, and the origin of a k = (0, 0, ½) modulation, remain intriguing topics for future studies.

In-situ diffraction measurements reveal that magnesium chloride forms a unique high-pressure phase, a heptahydrate, above 2 GPa. The hydrogen-bonding structure appears to contain orientational disorder.

A comparative description is presented of the symmetry and the magnetic structures found in the family of double perovskites A2MnB'O6 (mainly B' = Co and some Ni compounds for comparative purposes).

A unique phase transition, twinning and ferroelastic domain structure in [NH3(CH2)2NH3]2[ZnBr4]Br2 is found. The new additional domain structure is observed at the phase transition on heating, which is preserved after cooling to room temperature.

1,2-Bis(3,5-di­methyl-2-thienyl)perfluoro­cyclo­pentene formed its own spherulites by sublimation onto the hydro­philic surfaces of the (0001) planes of α-quartz and sapphire substrates. The formation of different morphologies of these spherulites was attributed to the surface properties of each substrate. Depending on the morphology of the spherulites, hollow rod crystals with cross sections of different sizes and shapes and branching structures were generated on the surfaces of the spherulites.

The structures of nine hexa­methyl-[1,1'-bi­phenyl]-4,4'-di­ammonium (HMB) salts are described

Tetragonal YxOs4B4 (x = 1.161) is an incommensurate composite of columns of Y atoms in a three-dimensional Os4B4 framework. The structure was refined using the superspace approach.

The hydro­thermal synthesis and structural characterization of four novel 3D pillared-layer metal–organic frameworks are studied, revealing how the malleability of copper coordination geometries drives diverse supramolecular isomerism. The findings provide new insights into designing advanced hybrid materials with tailored properties, emphasizing the significant role of reaction conditions and metal ion flexibility in determining network topologies.

A new orthorhombic crystal Pb5(PO4)3OHδ of space-group symmetry Pnma significantly differs differing from the hexagonal apatite phases of Pb10(PO4)6O and Pb5(PO4)3OH.

Five multicomponent solid forms of an antifungal drug flucytosine are reported with a hygroscopic stability study. A detailed CSD search on the cocrystal/salts of flucytosine is evaluated and correlated the structures based on bond angles and bond distances.

The rotating substrate method of crystallite deposition is modeled, allowing computation of effective material coefficients of the layers resulting from the averaging. A worked numerical example particularized to 6mm ZnO is provided.

Low-concentration poly(ethylene oxide) exhibit the polymorph-dependent effects on both the surface and bulk crystal growth of carbamazepine polymorphs. These polymorph-dependent effects of PEO were mainly attributed to the polymer enrichment at the interface and different crystal surface-polymer interactions.

This study presents the first theoretical predictions of the phase transitions, elastic properties, and thermal behavior of AuMTe2 (M = Ga, In) chalcopyrite compounds. Using density functional theory and the quasi-harmonic Debye model, key mechanical and thermodynamic properties are analyzed, offering insights valuable for future experimental validation.

Single-crystal growth, differential thermal analysis (DTA), derivative thermogravimetry (DTG), differential scanning calorimetry (DSC), X-ray structural studies and polarized microscopy observations of bis(ethylenediammonium) tetrabromozincate(II) bromide [NH3(CH2)2NH3]2[ZnBr4]Br2 are presented. A reversible phase transition is described. At room temperature, the complex crystallizes in the monoclinic system. In some cases, the single crystals are twinned into two or more large domains of ferroelastic type with domain walls in the (100) crystallographic plane. DTA and DTG measurements show chemical stability of the crystal up to ∼538 K. In the DSC studies, a reversible isostructural phase transition was revealed at ∼526/522 K on heating/cooling run, respectively. Optical observation on the heating run reveals that at the phase transition the plane of twinning (domain wall) does not disappear and additionally the appearance of a new domain structure of ferroelastic type with domain walls in the planes (101), (101), (100) and (001) is observed. The domain structure pattern is preserved after cooling to the room-temperature phase and the symmetry of this phase is unchanged.