Accounting the Eccentricity of a Polycrystalline Sample in the Debye–Scherrer Scheme. Certification of a New Y2O3 XRD Standards

Standard

Accounting the Eccentricity of a Polycrystalline Sample in the Debye–Scherrer Scheme. Certification of a New Y₂O₃ XRD Standards. / Ivanova, Y. A.; Kudryavtsev, A. L.; Serebrennikova, P. S. и др.

в: Journal of Structural Chemistry, Том 66, № 10, 20, 08.11.2025, стр. 2225-2238.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{a4bb81e6bfa246aeae60a91628355661,

title = "Accounting the Eccentricity of a Polycrystalline Sample in the Debye–Scherrer Scheme. Certification of a New Y2O3 XRD Standards",

abstract = "Issues related to the procedure of optimizing the calibration of modern area-detector diffractometers using reference single crystals are considered. It is shown that the accuracy of measuring the unit cell parameters (UCPs) of polycrystalline samples in the Debye–Scherrer scheme can be improved by considering the eccentricity. The procedure is tested on a CeO2 polycrystalline sample (SRM674b). The value obtained for the cubic unit cell parameter a = 5.4117(2) {\AA} differs from the reference one by 0.0002 {\AA}, in agreement with the experiment′s absolute error. The XRD certification of a promising Y2O3 XRD standard is performed (TU 48-4-524-90; ItO-V grade; 99.999% purity; cubic unit cell parameter a is 10.6047(3) {\AA}).",

keywords = "XRD, accuracy, area detector, calibration, eccentricity, reference, small crystals, unit cell parameters, XRD, area detector, calibration, small crystals, unit cell parameters, accuracy, reference, eccentricity",

author = "Ivanova, {Y. A.} and Kudryavtsev, {A. L.} and Serebrennikova, {P. S.} and Gromilov, {S. A.}",

note = "Ivanova, Y.A., Kudryavtsev, A.L., Serebrennikova, P.S. et al. Accounting the Eccentricity of a Polycrystalline Sample in the Debye–Scherrer Scheme. Certification of a New Y2O3 XRD Standards. J. Struct. Chem. 66, 2225–2238 (2025). https://doi.org/10.1134/S0022476625100208 This study was funded by the Russian Science Foundation and the Government of the Novosibirsk region (project No. 24-22-20017, https://rscf.ru/project/24-22-20017/).",

year = "2025",

month = nov,

day = "8",

doi = "10.1134/S0022476625100208",

language = "English",

volume = "66",

pages = "2225--2238",

journal = "Journal of Structural Chemistry",

issn = "0022-4766",

publisher = "Springer",

number = "10",

}

RIS

TY - JOUR

T1 - Accounting the Eccentricity of a Polycrystalline Sample in the Debye–Scherrer Scheme. Certification of a New Y2O3 XRD Standards

AU - Ivanova, Y. A.

AU - Kudryavtsev, A. L.

AU - Serebrennikova, P. S.

AU - Gromilov, S. A.

N1 - Ivanova, Y.A., Kudryavtsev, A.L., Serebrennikova, P.S. et al. Accounting the Eccentricity of a Polycrystalline Sample in the Debye–Scherrer Scheme. Certification of a New Y2O3 XRD Standards. J. Struct. Chem. 66, 2225–2238 (2025). https://doi.org/10.1134/S0022476625100208 This study was funded by the Russian Science Foundation and the Government of the Novosibirsk region (project No. 24-22-20017, https://rscf.ru/project/24-22-20017/).

PY - 2025/11/8

Y1 - 2025/11/8

N2 - Issues related to the procedure of optimizing the calibration of modern area-detector diffractometers using reference single crystals are considered. It is shown that the accuracy of measuring the unit cell parameters (UCPs) of polycrystalline samples in the Debye–Scherrer scheme can be improved by considering the eccentricity. The procedure is tested on a CeO2 polycrystalline sample (SRM674b). The value obtained for the cubic unit cell parameter a = 5.4117(2) Å differs from the reference one by 0.0002 Å, in agreement with the experiment′s absolute error. The XRD certification of a promising Y2O3 XRD standard is performed (TU 48-4-524-90; ItO-V grade; 99.999% purity; cubic unit cell parameter a is 10.6047(3) Å).

AB - Issues related to the procedure of optimizing the calibration of modern area-detector diffractometers using reference single crystals are considered. It is shown that the accuracy of measuring the unit cell parameters (UCPs) of polycrystalline samples in the Debye–Scherrer scheme can be improved by considering the eccentricity. The procedure is tested on a CeO2 polycrystalline sample (SRM674b). The value obtained for the cubic unit cell parameter a = 5.4117(2) Å differs from the reference one by 0.0002 Å, in agreement with the experiment′s absolute error. The XRD certification of a promising Y2O3 XRD standard is performed (TU 48-4-524-90; ItO-V grade; 99.999% purity; cubic unit cell parameter a is 10.6047(3) Å).

KW - XRD

KW - accuracy

KW - area detector

KW - calibration

KW - eccentricity

KW - reference

KW - small crystals

KW - unit cell parameters

KW - XRD

KW - area detector

KW - calibration

KW - small crystals

KW - unit cell parameters

KW - accuracy

KW - reference

KW - eccentricity

UR - https://www.scopus.com/pages/publications/105021234340

UR - https://elibrary.ru/item.asp?id=83185964

UR - https://elibrary.ru/item.asp?id=83134053

UR - https://www.mendeley.com/catalogue/df1ac443-02fc-34fe-b731-5675fd6c3736/

U2 - 10.1134/S0022476625100208

DO - 10.1134/S0022476625100208

M3 - Article

VL - 66

SP - 2225

EP - 2238

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 10

M1 - 20

ER -

ID: 72580071