Abstract: A technique for refining unit cell parameters of crystals belonging to arbitrary systems on modern single-crystal diffractometers is described. The technique is based on the 2D-detector position calibration. The elementary orthorhombic unit cell parameters of the α-33S single crystal have been refined. The anisotropy of change in the parameters in the range of 90–350 K has been analyzed. The relative increase in the parameter c is shown to be 6.4%. The obtained dependences are approximated by second–third degree polynomials. The absolute and relative increments in the unit cell volume were found to be 138.4 Å3 and 4.3%, respectively. The temperature dependences of the thermal expansion tensor elements have been refined. The coefficients of thermal expansion of α-33S at room temperature turned out to be α11 = 15.35 × 10–5, α22 = 8.56 × 10–5, and α33 = 9.12 × 10–5 K–1.

Cite: Serebrennikova P.S. , Panchenko A.V. , Egorov N.B. , Gromilov S.A.
Refinement of Unit Cell Parameters on Modern Single-Crystal Diffractometers. Study of the Anisotropy of the α-33S Single Crystal Thermal Expansion
Crystallography Reports. 2024. V.69. N4. P.513-521. DOI: 10.1134/S1063774524601412 WOS Scopus РИНЦ OpenAlex

Original: Серебренникова П.С. , Панченко А.В. , Егоров Н.Б. , Громилов С.А.
УТОЧНЕНИЕ ПАРАМЕТРОВ ЭЛЕМЕНТАРНОЙ ЯЧЕЙКИ НА СОВРЕМЕННЫХ МОНОКРИСТАЛЬНЫХ ДИФРАКТОМЕТРАХ. ИЗУЧЕНИЕ АНИЗОТРОПИИ ТЕПЛОВОГО РАСШИРЕНИЯ МОНОКРИСТАЛЛА α-33S
Кристаллография. 2024. Т.69. №4. С.620-629. DOI: 10.31857/S0023476124040071 РИНЦ OpenAlex

Dates:

Submitted:	Jan 16, 2024
Accepted:	Feb 6, 2024
Published print:	Sep 27, 2024
Published online:	Sep 28, 2024

Identifiers:

Web of science:	WOS:001325080900002
Scopus:	2-s2.0-85205453755
Elibrary:	71320308
OpenAlex:	W4402903461

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