Upgrading of Single-Crystal X-Ray Diffraction Facility

用于材料结构研究的x射线探测器技术在过去十年中有了显著的进步。本项目是对现有的单晶x射线衍射系统进行升级，增加二维探测器（CCD）和x射线引导装置，并将第二台P4衍射仪适配到现有的18KW旋转阳极源上。升级包括一个Bruker 62毫米方形SMART-APEX CCD x射线探测器，一个x射线导向器和精细聚焦阳极，以增加样品的x射线通量，以及最近作为礼物获得的第二个P4衍射仪，用于旋转阳极源。提出的升级将使我们能够扩展单晶x射线衍射测量状态方程的压力极限，并减少实验生产样品结构测定的样本量限制和数据收集时间。CCD探测器还将允许高压粉末衍射研究，以补充我们在同步加速器设施的状态方程研究。升级该设施将有助于培养矿物晶体学、高压实验室方法和粉末衍射方面的研究生，以支持正在进行的国家研究设施项目，如APS、ALS和NLS的同步加速器以及橡树岭和洛斯阿拉莫斯国家实验室的中子衍射设施。这次升级也将使落基山脉地区的其他小分子晶体学研究工作受益。

EAR-0444183SmythX-ray detector technology for material structure studies has improved dramatically in the past decade. This is a project to upgrade the existing single-crystal X-ray diffraction system with a two-dimensional detector (CCD) and an X-ray guide device, and to adapt a second P4 diffractometer to the existing 18KW rotating anode source. The upgrades include a Bruker 62 mm square SMART-APEX CCD X-ray detector, an X-ray guide and fine focus anodes to increase X-ray flux at the sample, and adaptation of a second P4 diffractometer, recently acquired as a gift, to the rotating-anode source. The proposed upgrades will allow us to extend the pressure limits for equation of state measurements by single-crystal X-ray diffraction and reduce the sample size limit and data collection times for structure determinations of experimentally produced samples. The CCD detector will also permit high pressure powder diffraction studies to complement our equation of state studies at synchrotron facilities. Upgrading this facility will facilitate the training of research students in mineral crystallography as well as high pressure laboratory methods and powder diffraction in support of on-going projects at national research facilities such as synchrotrons at APS, ALS, and NLS and neutron diffraction facilities at Oak Ridge and Los Alamos National Laboratories. The upgrade will also benefit other small-molecule crystallographic research efforts in the Rocky Mountain Region.