POWGEN: rebuild of a third-generation powder diffractometer at the Spallation Neutron Source

Huq, Ashfia; Kirkham, Melanie; Peterson, Peter F.; Hodges, Jason P.; Whitfield, Pamela S.; Page, Katharine; Hűgle, Thomas; Iverson, Erik B.; Parizzi, Andre; Rennich, George

doi:10.1107/S160057671901121X

Title: POWGEN: rebuild of a third-generation powder diffractometer at the Spallation Neutron Source

Journal Article · 01 October 2019 · Journal of Applied Crystallography (Online)

DOI: https://doi.org/10.1107/S160057671901121X · OSTI ID:1617946

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Technology Division
Excelsus Structural Solutions, Villigen (Switzerland)

The neutron powder diffractometer POWGEN at the Spallation Neutron Source has recently (2017–2018) undergone an upgrade which resulted in an increased detector complement along with a full overhaul of the structural design of the instrument. The current instrument has a solid angular coverage of 1.2 steradians and maintains the original third-generation concept, providing a single-histogram data set over a wided-spacing range and high resolution to access large unit cells, detailed structural refinements and in situ/operando measurements.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357

OSTI ID:: 1617946

Alternate ID(s):: OSTI ID: 1569387

Journal Information:: Journal of Applied Crystallography (Online), Vol. 52, Issue 5; ISSN 1600-5767

Publisher:: International Union of CrystallographyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 48 works

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References (38)

Event-based processing of neutron scattering data Peterson, Peter F.; Campbell, Stuart I.; Reuter, Michael A. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 803 https://doi.org/10.1016/j.nima.2015.09.016	journal	December 2015
Mantid—Data analysis and visualization package for neutron scattering and μ SR experiments Arnold, O.; Bilheux, J. C.; Borreguero, J. M. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764 https://doi.org/10.1016/j.nima.2014.07.029	journal	November 2014
Emergence of Long-Range Order in BaTiO 3 from Local Symmetry-Breaking Distortions Senn, M. S.; Keen, D. A.; Lucas, T. C. A. Physical Review Letters, Vol. 116, Issue 20 https://doi.org/10.1103/PhysRevLett.116.207602	journal	May 2016
The mystery of birefringent garnet: is the symmetry lower than cubic? Antao, Sytle M. Powder Diffraction, Vol. 28, Issue 4 https://doi.org/10.1017/S0885715613000523	journal	July 2013
Metastable Li _1+δ Mn ₂ O ₄ (0 ≤ δ ≤ 1) Spinel Phases Revealed by in Operando Neutron Diffraction and First-Principles Calculations Song, Bohang; Veith, Gabriel M.; Park, Jinseon Chemistry of Materials, Vol. 31, Issue 1 https://doi.org/10.1021/acs.chemmater.8b03199	journal	November 2018
Double-Q spin-density wave in iron arsenide superconductors Allred, J. M.; Taddei, K. M.; Bugaris, D. E. Nature Physics, Vol. 12, Issue 5 https://doi.org/10.1038/nphys3629	journal	January 2016
A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory Calder, S.; An, K.; Boehler, R. Review of Scientific Instruments, Vol. 89, Issue 9 https://doi.org/10.1063/1.5033906	journal	September 2018
Magnetic structure of CaSrFeCoO 6–δ : Correlations with structural order Hona, Ram Krishna; Huq, Ashfia; Ramezanipour, Farshid Materials Research Bulletin, Vol. 106 https://doi.org/10.1016/j.materresbull.2018.05.030	journal	October 2018
Rietveld refinement with spallation neutron powder diffraction data Von Dreele, R. B.; Jorgensen, J. D.; Windsor, C. G. Journal of Applied Crystallography, Vol. 15, Issue 6 https://doi.org/10.1107/S0021889882012722	journal	December 1982
Powder diffraction peak shapes. Parameterization of the pseudo-Voigt as a Voigt function David, W. I. F. Journal of Applied Crystallography, Vol. 19, Issue 1 https://doi.org/10.1107/S0021889886089999	journal	February 1986
Identification of the strong Brønsted acid site in a metal–organic framework solid acid catalyst Trickett, Christopher A.; Osborn Popp, Thomas M.; Su, Ji Nature Chemistry, Vol. 11, Issue 2 https://doi.org/10.1038/s41557-018-0171-z	journal	November 2018
The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS Neuefeind, Jörg; Feygenson, Mikhail; Carruth, John Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 287 https://doi.org/10.1016/j.nimb.2012.05.037	journal	September 2012
Negative Thermal Expansion in ZrW ₂ O ₈ and HfW ₂ O ₈ Evans, J. S. O.; Mary, T. A.; Vogt, T. Chemistry of Materials, Vol. 8, Issue 12 https://doi.org/10.1021/cm9602959	journal	January 1996
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Performance improvements of wavelength-shifting-fiber neutron detectors using high-resolution positioning algorithms Wang, C. L. Review of Scientific Instruments, Vol. 87, Issue 5 https://doi.org/10.1063/1.4949496	journal	May 2016
Dilithium (citrate) crystals and their relatives Cigler, Andrew J.; Kaduk, James A. Acta Crystallographica Section C Structural Chemistry, Vol. 74, Issue 10 https://doi.org/10.1107/S2053229618012597	journal	September 2018
Structural-Distortion-Driven Magnetic Transformation from Ferro- to Ferrimagnetic Iron Chains in B ₆ -based Nb ₆ FeIr ₆ B ₈ Sharma, Neetika; Mbarki, Mohammed; Zhang, Yuemei Angewandte Chemie International Edition, Vol. 57, Issue 32 https://doi.org/10.1002/anie.201804841	journal	July 2018
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals Farrow, C. L.; Juhas, P.; Liu, J. W. Journal of Physics: Condensed Matter, Vol. 19, Issue 33 https://doi.org/10.1088/0953-8984/19/33/335219	journal	July 2007
Synthesis of a Ferrolite: A Zeolitic All-Iron Framework Latshaw, Allison M.; Chance, W. Michael; Morrison, Gregory Angewandte Chemie International Edition, Vol. 55, Issue 42 https://doi.org/10.1002/anie.201607800	journal	October 2016
In Situ Neutron Diffraction Studies of the Flux Crystal Growth of the Reduced Molybdates La ₄ Mo ₂ O ₁₁ and Ce ₄ Mo ₂ O ₁₁ : Revealing Unexpected Mixed-Valent Transient Intermediates and Determining the Sequence of Events during Crystal Growth Abeysinghe, Dileka; Huq, Ashfia; Yeon, Jeongho Chemistry of Materials, Vol. 30, Issue 3 https://doi.org/10.1021/acs.chemmater.8b00072	journal	January 2018
Nanoscale Ni/Mn Ordering in the High Voltage Spinel Cathode LiNi _0.5 Mn _1.5 O ₄ Liu, Jue; Huq, Ashfia; Moorhead-Rosenberg, Zachary Chemistry of Materials, Vol. 28, Issue 19 https://doi.org/10.1021/acs.chemmater.6b02946	journal	September 2016
Anisotropic lattice thermal expansion of PbFeBO4: A study by X-ray and neutron diffraction, Raman spectroscopy and DFT calculations Murshed, M. Mangir; Mendive, Cecilia B.; Curti, Mariano Materials Research Bulletin, Vol. 59 https://doi.org/10.1016/j.materresbull.2014.07.005	journal	November 2014
Mn ₂ (Fe _0.8 Mo _0.2 )MoO ₆ : A Double Perovskite with Multiple Transition Metal Sublattice Magnetic Effects Li, Man-Rong; Stephens, Peter W.; Croft, Mark Chemistry of Materials, Vol. 30, Issue 14 https://doi.org/10.1021/acs.chemmater.8b00250	journal	June 2018
On the numerical corrections of time-of-flight neutron powder diffraction data Avdeev, Maxim; Jorgensen, James; Short, Simine Journal of Applied Crystallography, Vol. 40, Issue 4 https://doi.org/10.1107/S0021889807030014	journal	July 2007
Na2Ca3Al2F14: A new example of a structure with “independent F−”—A new method of comparison between fluorides and oxides of different formula Courbion, G.; Ferey, G. Journal of Solid State Chemistry, Vol. 76, Issue 2 https://doi.org/10.1016/0022-4596(88)90239-3	journal	October 1988
Improvements to the Chebyshev expansion of attenuation correction factors for cylindrical samples Mildner, D. F. R.; Carpenter, J. M. Journal of Applied Crystallography, Vol. 23, Issue 5 https://doi.org/10.1107/S0021889890005258	journal	October 1990
Precise implications for real-space pair distribution function modeling of effects intrinsic to modern time-of-flight neutron diffractometers Olds, Daniel; Saunders, Claire N.; Peters, Megan Acta Crystallographica Section A Foundations and Advances, Vol. 74, Issue 4 https://doi.org/10.1107/S2053273318003224	journal	June 2018
Design and operating characteristic of a vacuum furnace for time-of-flight inelastic neutron scattering measurements Niedziela, J. L.; Mills, R.; Loguillo, M. J. Review of Scientific Instruments, Vol. 88, Issue 10 https://doi.org/10.1063/1.5007089	journal	October 2017
Representational analysis of extended disorder in atomistic ensembles derived from total scattering data Neilson, James R.; McQueen, Tyrel M. Journal of Applied Crystallography, Vol. 48, Issue 5 https://doi.org/10.1107/S1600576715016404	journal	September 2015
A profile refinement method for nuclear and magnetic structures Rietveld, H. M. Journal of Applied Crystallography, Vol. 2, Issue 2, p. 65-71 https://doi.org/10.1107/S0021889869006558	journal	June 1969
AGES: Automated Gas Environment System for in situ neutron powder diffraction Kirkham, Melanie; Heroux, Luke; Ruiz-Rodriguez, Mariano Review of Scientific Instruments, Vol. 89, Issue 9 https://doi.org/10.1063/1.5031432	journal	September 2018
Event-based processing of neutron scattering data at the Spallation Neutron Source Granroth, Garrett E.; An, Ke; Smith, Hillary L. Journal of Applied Crystallography, Vol. 51, Issue 3 https://doi.org/10.1107/S1600576718004727	journal	May 2018
Probing Local Dipoles and Ligand Structure in BaTiO ₃ Nanoparticles Page, Katharine; Proffen, Thomas; Niederberger, Markus Chemistry of Materials, Vol. 22, Issue 15 https://doi.org/10.1021/cm100440p	journal	August 2010
Neutron powder diffraction – new opportunities in hydrogen location in molecular and materials structure Wilson, Chick C.; Henry, Paul F.; Schmidtmann, Marc Crystallography Reviews, Vol. 20, Issue 3 https://doi.org/10.1080/0889311X.2014.886202	journal	March 2014
Synthesis of a Ferrolite: A Zeolitic All-Iron Framework Latshaw, Allison M.; Chance, W. Michael; Morrison, Gregory Angewandte Chemie, Vol. 128, Issue 42 https://doi.org/10.1002/ange.201607800	journal	October 2016
Structural‐Distortion‐Driven Magnetic Transformation from Ferro‐ to Ferrimagnetic Iron Chains in B ₆ ‐based Nb ₆ FeIr ₆ B ₈ Sharma, Neetika; Mbarki, Mohammed; Zhang, Yuemei Angewandte Chemie, Vol. 130, Issue 32 https://doi.org/10.1002/ange.201804841	journal	July 2018
Dilithium (citrate) crystals and their relatives Kaduk, James Albert; Cigler, Andrew Acta Crystallographica Section A Foundations and Advances, Vol. 73, Issue a2 https://doi.org/10.1107/s2053273317086405	journal	December 2017
Double-Q spin-density wave in iron arsenide superconductors Allred, J. M.; Taddei, K. M.; Bugaris, D. E. arXiv https://doi.org/10.48550/arxiv.1505.06175	text	January 2015