The crystal structure of potassium magnesium niobium oxide phosphate, KMg(1/3)Nb(2/3)OPO(4), which was described in the space group P4(3)22 [McCarron & Calabrese, (1993 ▶). J. Solid State Chem.102, 354-361], has been redetermined in the revised space group P4(1). Accordingly, the assignment of the space group P4(3)22 and, therefore, localization of K at a single half-occupied position, as noted in the previous study, proved to be an artifact. As a consequence, two major and two minor positions of K are observed due to the splitting along [001], as first noted for KTiOPO(4) structure analogues. It has been shown that the geometry of the {M(II) (1/3)Nb(2/3)O(6/2)}(∞) framework is almost unaffected by the lowering of symmetry.
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http://dx.doi.org/10.1107/S1600536810004617 | DOI Listing |
J Intellect Dev Disabil
March 2021
Chair Group Humanism and Social Resilience, University of Humanistic Studies, Utrecht, Netherlands.
Often, people with and without intellectual disabilities do not mingle. Research has mostly focused on how to foster "convivial encounters" for social inclusion, but further thinking is needed on situations in which potential encounters do not take place. Discussion of philosophical and urban sociological literature on social interaction in public.
View Article and Find Full Text PDFFront Child Adolesc Psychiatry
October 2024
Centre for Rural Health, Centre for Health Science, University of Aberdeen, Inverness, United Kingdom.
Introduction: Group-based parenting programmes have specific mechanisms of change compared to individual delivery. The Mechanisms of Action in Group-based Interventions framework (MAGI); distinguishes between interpersonal and intrapersonal mechanisms of change. This paper articulates a theory of change for Mellow Babies, a 14-week attachment-based group parenting programme for mothers of infants aged under 18 months, identifying the inter and intrapersonal change processes.
View Article and Find Full Text PDFFront Child Adolesc Psychiatry
June 2024
Centre for Rural Health, Centre for Health Science, University of Aberdeen, Inverness, United Kingdom.
Introduction: The role of the group has been largely overlooked within evaluations of group-based parenting programmes. Group contextual factors, including size and level of homogeneity, may impact on essential group processes, such as group identification and cohesion, that are necessary to activate interpersonal change mechanisms and attain programme outcomes. This process evaluation of Mellow Babies, a 14-week attachment-based group parenting programme for mothers of infants aged under 18 months, explores how group context affected mother and practitioner experiences of the programme.
View Article and Find Full Text PDFDigit Discov
January 2025
School of Natural and Environmental Sciences, Newcastle University Newcastle Upon Tyne NE1 7RU UK
FEgrow is an open-source software package for building congeneric series of compounds in protein binding pockets. For a given ligand core and receptor structure, it employs hybrid machine learning/molecular mechanics potential energy functions to optimise the bioactive conformers of supplied linkers and functional groups. Here, we introduce significant new functionality to automate, parallelise and accelerate the building and scoring of compound suggestions, such that it can be used for automated design.
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