Combined Approach to the Calibration of a Single-Crystal Diffractometer. Studying the CsLiMo3O10 Structure in the Region from 90 K to 450 K

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Combined Approach to the Calibration of a Single-Crystal Diffractometer. Studying the CsLiMo3O10 Structure in the Region from 90 K to 450 K. / Serebrennikova, P. S.; Komarov, V. Y.; Trifonov, V. A. et al.

In: Journal of Structural Chemistry, Vol. 65, No. 1, 01.2024, p. 169-185.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{31f4469f4e254dd9877bff6952e6c1a4,

title = "Combined Approach to the Calibration of a Single-Crystal Diffractometer. Studying the CsLiMo3O10 Structure in the Region from 90 K to 450 K",

abstract = "We propose a number of approaches for refining unit cell parameters of single crystals using serial laboratory diffractometers equipped with 2D detectors and discuss the corresponding mathematical apparatus for processing the obtained results. The approaches are demonstrated on the example of orthorhombic LiCsMo3O10 crystals grown by the low-gradient Czochralski method using two different seed orientations but being identical in terms of the XRD analysis. It is shown that unit cell parameters of the crystals coincide within the estimated measurement error. The temperature dependence of unit cell parameters in the temperature range 90-450 K is studied, the view of the elements of the thermal expansion tensor is determined. The changes in the structural characteristics of LiCsMo3O10 in the studied temperature range are discussed.",

keywords = "2D detector calibration, X-ray diffraction analysis, accuracy of measuring unit cell parameters, diffraction data processing, goniometer calibration, high-temperature XRD, single-crystal diffractometer",

author = "Serebrennikova, {P. S.} and Komarov, {V. Y.} and Trifonov, {V. A.} and Panchenko, {A. V.} and Gromilov, {S. A.}",

note = "This work was funded by the Ministry of Science and Higher Education of the Russian Federation and by the Priority 2030 program.",

year = "2024",

month = jan,

doi = "10.1134/S0022476624010165",

language = "English",

volume = "65",

pages = "169--185",

journal = "Journal of Structural Chemistry",

issn = "0022-4766",

publisher = "Springer GmbH & Co, Auslieferungs-Gesellschaf",

number = "1",

}

RIS

TY - JOUR

T1 - Combined Approach to the Calibration of a Single-Crystal Diffractometer. Studying the CsLiMo3O10 Structure in the Region from 90 K to 450 K

AU - Serebrennikova, P. S.

AU - Komarov, V. Y.

AU - Trifonov, V. A.

AU - Panchenko, A. V.

AU - Gromilov, S. A.

N1 - This work was funded by the Ministry of Science and Higher Education of the Russian Federation and by the Priority 2030 program.

PY - 2024/1

Y1 - 2024/1

N2 - We propose a number of approaches for refining unit cell parameters of single crystals using serial laboratory diffractometers equipped with 2D detectors and discuss the corresponding mathematical apparatus for processing the obtained results. The approaches are demonstrated on the example of orthorhombic LiCsMo3O10 crystals grown by the low-gradient Czochralski method using two different seed orientations but being identical in terms of the XRD analysis. It is shown that unit cell parameters of the crystals coincide within the estimated measurement error. The temperature dependence of unit cell parameters in the temperature range 90-450 K is studied, the view of the elements of the thermal expansion tensor is determined. The changes in the structural characteristics of LiCsMo3O10 in the studied temperature range are discussed.

AB - We propose a number of approaches for refining unit cell parameters of single crystals using serial laboratory diffractometers equipped with 2D detectors and discuss the corresponding mathematical apparatus for processing the obtained results. The approaches are demonstrated on the example of orthorhombic LiCsMo3O10 crystals grown by the low-gradient Czochralski method using two different seed orientations but being identical in terms of the XRD analysis. It is shown that unit cell parameters of the crystals coincide within the estimated measurement error. The temperature dependence of unit cell parameters in the temperature range 90-450 K is studied, the view of the elements of the thermal expansion tensor is determined. The changes in the structural characteristics of LiCsMo3O10 in the studied temperature range are discussed.

KW - 2D detector calibration

KW - X-ray diffraction analysis

KW - accuracy of measuring unit cell parameters

KW - diffraction data processing

KW - goniometer calibration

KW - high-temperature XRD

KW - single-crystal diffractometer

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85185099561&origin=inward&txGid=f3c446e44442aadb706112b81d18ebcd

UR - https://www.mendeley.com/catalogue/be634211-c51a-3031-84ea-0e8163901b29/

U2 - 10.1134/S0022476624010165

DO - 10.1134/S0022476624010165

M3 - Article

VL - 65

SP - 169

EP - 185

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 1

ER -

ID: 60461436