Refinement of Unit Cell Parameters on Modern Single-Crystal Diffractometers. Study of the Anisotropy of the α-33S Single Crystal Thermal Expansion Full article
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Crystallography Reports
ISSN: 1063-7745 , E-ISSN: 1562-689X |
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Output data | Year: 2024, Volume: 69, Number: 4, Pages: 513-521 Pages count : 9 DOI: 10.1134/S1063774524601412 | ||||||
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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
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
Dates:
Submitted: | Jan 16, 2024 |
Accepted: | Feb 6, 2024 |
Published print: | Sep 27, 2024 |
Published online: | Sep 28, 2024 |
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