Upgrading of Single-Crystal X-Ray Diffraction Facility

用于材料结构研究的EAR-0444183SmythX-ray探测器技术在过去十年中有了显著的进步。这是一个项目，升级现有的单晶X射线衍射系统，配备一个二维探测器(CCD)和一个X射线引导装置，并将第二个P4衍射仪改装到现有的18kW旋转阳极源。升级包括布鲁克62 mm方形SMART-APEX CCDX射线探测器、X射线导轨和精细聚焦阳极以增加样品的X射线通量，以及最近作为礼物购买的第二台P4衍射仪与旋转阳极源的适配。拟议的升级将使我们能够扩大单晶X射线衍射法测量状态方程的压力限制，并减少用于实验产生的样品结构确定的样品大小限制和数据收集时间。CCD探测器还将允许进行高压粉末衍射研究，以补充我们在同步加速器设施中进行的状态方程研究。升级这一设施将有助于对研究学生进行矿物结晶学以及高压实验室方法和粉末衍射方面的培训，以支持国家研究设施正在进行的项目，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结晶学研究工作受益。

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.