On the accuracy of determining unit cell parameters of single crystals on modern laboratory diffractometers

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On the accuracy of determining unit cell parameters of single crystals on modern laboratory diffractometers. / Serebrennikova, P. C.; Komarov, V. Yu ; Sukhikh, A. S. et al.

In: Journal of Structural Chemistry, Vol. 62, No. 5, 05.2021, p. 682-691.

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

BibTeX

@article{180a94584ee945fba9cfac6cd9c31d91,

title = "On the accuracy of determining unit cell parameters of single crystals on modern laboratory diffractometers",

abstract = "We propose a technique for the refinement of unit cell parameters (UCPs) using a single crystal diffractometer equipped with a flat-panel area detector. The technique is based on choosing Kα1 components of X-ray radiation when processing diffraction reflections. The capabilities of the technique are demonstrated on [NiEn3]MoO4 single crystals. In two independent experiments, the difference between 2θexp and 2θcalc did not exceed 0.02° while the reproducibility of unit cell parameters was at least 0.008 {\AA}.",

keywords = "accuracy, unit cell parameters, X-ray diffraction, X-ray diffraction of polycrystals",

author = "Serebrennikova, {P. C.} and Komarov, {V. Yu} and Sukhikh, {A. S.} and Gromilov, {S. A.}",

year = "2021",

month = may,

doi = "10.1134/S0022476621050048",

language = "English",

volume = "62",

pages = "682--691",

journal = "Journal of Structural Chemistry",

issn = "0022-4766",

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

number = "5",

}

RIS

TY - JOUR

T1 - On the accuracy of determining unit cell parameters of single crystals on modern laboratory diffractometers

AU - Serebrennikova, P. C.

AU - Komarov, V. Yu

AU - Sukhikh, A. S.

AU - Gromilov, S. A.

PY - 2021/5

Y1 - 2021/5

N2 - We propose a technique for the refinement of unit cell parameters (UCPs) using a single crystal diffractometer equipped with a flat-panel area detector. The technique is based on choosing Kα1 components of X-ray radiation when processing diffraction reflections. The capabilities of the technique are demonstrated on [NiEn3]MoO4 single crystals. In two independent experiments, the difference between 2θexp and 2θcalc did not exceed 0.02° while the reproducibility of unit cell parameters was at least 0.008 Å.

AB - We propose a technique for the refinement of unit cell parameters (UCPs) using a single crystal diffractometer equipped with a flat-panel area detector. The technique is based on choosing Kα1 components of X-ray radiation when processing diffraction reflections. The capabilities of the technique are demonstrated on [NiEn3]MoO4 single crystals. In two independent experiments, the difference between 2θexp and 2θcalc did not exceed 0.02° while the reproducibility of unit cell parameters was at least 0.008 Å.

KW - accuracy

KW - unit cell parameters

KW - X-ray diffraction

KW - X-ray diffraction of polycrystals

UR - http://www.scopus.com/inward/record.url?scp=85108105453&partnerID=8YFLogxK

U2 - 10.1134/S0022476621050048

DO - 10.1134/S0022476621050048

M3 - Article

AN - SCOPUS:85108105453

VL - 62

SP - 682

EP - 691

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 5

ER -

ID: 28869442