TY - JOUR

T1 - Refinement of Unit Cell Parameters on Modern Single-Crystal Diffractometers. Study of the Anisotropy of the α-33S Single Crystal Thermal Expansion

AU - Serebrennikova, P. S.

AU - Panchenko, A. V.

AU - Egorov, N. B.

AU - Gromilov, S. A.

PY - 2024/9/27

Y1 - 2024/9/27

N2 - 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.

AB - 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.

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85205453755&origin=inward&txGid=44f603c02adc2aabc31e96cf8d8f7c68

UR - https://www.mendeley.com/catalogue/8bbf612b-4dae-3b94-a8e9-0b1f7c22d32d/

U2 - 10.1134/S1063774524601412

DO - 10.1134/S1063774524601412

M3 - Article

VL - 69

SP - 513

EP - 521

JO - Crystallography Reports

JF - Crystallography Reports

SN - 1063-7745

IS - 4

ER -