Instrument/equipment Core/facility: Chemical and Biophysical Instrumentation Center (CBIC)

X-ray and electron diffraction

Sebastian Krajewski

Facility Manager & Crystallographer

Building: KCL 7 & 11

Diffraction, scattering, and imaging

Structural science is an interdisciplinary field that brings together powerful techniques, including single-crystal X-ray diffraction (SCXRD) and powder X-ray diffraction (pXRD), to uncover the structural foundations of materials at unprecedented depth. This facility further expands access to advanced methodologies such as microcrystal electron diffraction (microED). Our instrumentation is designed to directly probe real and reciprocal space across length scales, from the atomic to the mesoscale.

Small molecule X-ray policy
  • Staff-mounted samples will be mounted at the convenience of their schedule.
  • Samples can be submitted on the table outside KCL 3.
  • To independently use the single-crystal diffractometers, you must have met one of the following subpoints:
    • Completed CHEM 511 and 512.
    • Completed an equivalent course/training at a different institution with a recommendation from the instructor/instrument manager.
  • Independent access enables X-ray facility use for your own research.
  • Independent use does not enable facility use for you to collect data on behalf of other researchers at Yale.
  • Exceptions are granted on a case-by-case basis.

Samples can be submitted on the table outside KCL 3.

Available to Yale researchers & external researchers

Rates

2025/2026 Internal user rates
2025/2026 External for-profit user rates

NameInst. numberPrice ($) / unitUnitRate ($) / hour
X-ray
X-ray single crystal screening3977.25samplen/a
X-ray data collection15636.54datasetn/a
X-ray data processing and structure report18658.71structuren/a
Powder diffraction1479.57hour75
Electron diffraction (microED/3DED)
Sample preparation362121.80samplen/a
Data collection372121.80datasetn/a
Data processing and structure report382121.80structuren/a
Hourly data collection40257.50hour257.50

About the instruments

Learn more about our instruments below.

Pilatus3R HPC on a 007 VHF+Arc)Sec X-ray source
Rigaku CCD on a 007HF+ X-ray source
Rigaku CCD on a 007HF+Arc)Sec X-ray source
Rigaku MiniFlex600 powder X-ray diffractometer
Rigaku XtaLAB Mini II with a hybrid pixel detector
Rigaku XtaLAB Synergy, Dualflex, HyPix-Arc 100
XtaLab Synergy-ED 

Pilatus3R HPC on a 007 VHF+Arc)Sec X-ray source 

Scientific apparatus

Short name: 007c
Instrument location: KCL 7
Date of acquisition: October 2016 (Back to top)

The Pilatus3R 200KA detector on our Rigaku 007 HF+ rotating anode with VHF Arc)Sec optics is suitable for solving small molecule samples.
λ = 0.7107 Å

 

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Rigaku CCD on a 007HF+ X-ray source

Short name: 007a
Instrument location: KCL 7
Date of acquisition: October 2009 (Back to top)

Scientific apparatus

The HyPix-6000HE hybrid pixel array detector on our Rigaku 007 HF+ rotating anode X-ray source with HF optics is suitable for solving small-molecule and protein structures by single-crystal X-ray diffraction. This instrument can also be used to screen crystals before sending them to an x-ray beam line at a synchrotron. 
λ = 1.5418 Å

 

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Rigaku CCD on 007HF+Arc)Sec X-ray source

Short name: 007b
Instrument location: KCL 7
Date of acquisition: June 2016 (Back to top)

Scientific apparatus
Short name: 007b

The Rigaku Saturn 944HG CCD detector on our Rigaku 007 HF+ rotating anode X-ray source with HF Arc)Sec optics is suitable for solving small molecule samples. This instrument is run by CBIC staff. 
λ = 1.5418 Å

 

 

 

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Rigaku MiniFlex600 powder X-ray diffractometer

Short name: PXRD
Instrument location: KCL 7
Date of acquisition: December 2004 (Back to top)

Diffractometer with radiation warning stickers

This powder diffractometer can characterize crystallinity, crystal phases, and, in many cases, the identity of solid samples. Our instrument has a sealed-tube copper X-ray source, a scintillation counter with high dynamic range, and Bragg-Brentano geometry with slits providing high resolution for flat powder samples. 
λ = 1.5418 Å

 

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Rigaku XtaLAB Mini II with a hybrid pixel detector

Apparatus beside a computer display and a ring binder

Instrument location: KCL 7
Date of acquisition: May 2022 (Back to top)

The XtaLabMini II is a fully functional benchtop single-crystal X-ray diffractometer with a HyPix-Bantam semiconductor detector.
λ = 0.7107 Å

 

 

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Rigaku XtaLAB Synergy, Dualflex, HyPix-Arc 100

Short name: syn
Instrument location: KCL 7
Date of acquisition: January 2023 (Back to top)

Apparatus and computer workstation

Copper and silver X-ray sources are available. The HyPix Arc-100 curved image plate detector allows high dynamic range and collection out to a 2Θ angle of 144 degrees in a single image to yield high-resolution single-crystal data.

λ = 1.5418 or 0.5609 Å

 

 

 

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XtaLab Synergy-ED

Short name: mED
Instrument location: KCL 7
Date of acquisition: January 2025 (Back to top)

Electron diffractometer and cryotransfer system

The Synergy-ED is a state-of-the-art electron diffractometer designed for microcrystal electron diffraction (microED) / 3D electron diffraction (3DED) experiments. It enables high-resolution structural analysis of nanocrystalline materials that are too small for conventional X-ray diffraction techniques.

Key features
Wavelength: Operates at an electron wavelength of ~0.0251 Å with a 200 kV accelerating voltage, providing high-resolution diffraction data.
Temperature range: Capable of measuring samples from room temperature down to 100 K, allowing for studies of temperature-dependent structural changes.
Viable grain size: Suitable for nanocrystals and microcrystals ranging from several hundred nanometers to less than 10 microns.
Sample types
The Synergy-ED is optimized for a broad range of crystalline materials, including:
* Small organic molecules (e.g., pharmaceuticals, natural products)
* Inorganic nanomaterials
* Metal-organic frameworks (MOFs) and zeolites
* Peptides and small proteins
* Polymers and hybrid materials
Applications
Pharmaceutical research: 
Polymorph studies: Determines different crystal forms of a compound, crucial for drug formulation and stability.
Phase transitions: Investigates temperature- or pressure-induced structural changes.
Materials science & nanotechnology:
Grain boundary analysis: Characterizes defects, interfaces, and grain orientations in polycrystalline materials.
Nanocrystalline and amorphous phase identification: Helps differentiate between ordered and disordered structures.
Heterogeneous sample analysis:
Sample mixtures: Can resolve and identify multiple crystalline phases within complex mixtures.
Solid-state chemistry: Provides insight into phase purity and composition.

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