The department's X-ray diffraction facility offers single crystal X-ray data collection, structure solution and refinement of small molecule structures (< 350 non-hydrogen Atoms) including determination of the absolute configuration of chiral molecules from anomalous scattering.

The latest additions to this service are multipole refinement and charge density calculations. All charge density work requires exceptionally good, ultra-high resolution, low-temperature data and the absence of heavy elements in the crystal (up to Cl is fine, Fe should work with good data, Mo may work with luck and W will probably not work). If you think you have a crystal suitable for charge density, contact
 Dr. Peter Mueller. The facility also offers data collection for-profit customers.

Effective July 1, 2017, the rates for services of the X-Ray Diffraction Facility are as follows:

  MIT Chemistry Department Other MIT customers

Other non-profit customers


Data Collection $378 $378 $655 $1000
Structure Determination $340 $340 $590

For details contact Dr. Peter Mueller

Examination $189 $189 $328 $400
Unit Cell Determination  $95 $95 $156 $200
Powder Diffractogram $95 $95 $164 $200

A "Unit Cell Determination" is any diffraction experiment during which between 5 and 60 frames (100 frames for Cu radiation) are collected. If more than 60 frames (100 for Cu radiation) are collected, another price category applies.

An "Examination" is any diffraction experiment during which between 60 and 400 frames for Mo radiation or between 100 and 1000 frames for Cu radiation are collected. A project that results in collection of fewer frames than the specifed number is billed as "Unit Cell Determination". If more than 400 frames for Mo or 1000 frames for Cu radiation are collected, the project will be billed as "Data Collection".

Free of charge for members of the MIT community are assistance with structure solution or refinement, training, consultations etc.