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The first bismuth borate oxyiodide, Bi4BO7I : commensurate or incommensurate? / Volkov, Sergey; Bubnova, Rimma; Krzhizhanovskaya, Maria; Galafutnik, Lydia.

In: Acta crystallographica Section B, Structural science, crystal engineering and materials, Vol. 76, 01.12.2020, p. 992-1000.

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

Harvard

Volkov, S, Bubnova, R, Krzhizhanovskaya, M & Galafutnik, L 2020, 'The first bismuth borate oxyiodide, Bi4BO7I: commensurate or incommensurate?', Acta crystallographica Section B, Structural science, crystal engineering and materials, vol. 76, pp. 992-1000. https://doi.org/10.1107/S2052520620012640

APA

Volkov, S., Bubnova, R., Krzhizhanovskaya, M., & Galafutnik, L. (2020). The first bismuth borate oxyiodide, Bi4BO7I: commensurate or incommensurate? Acta crystallographica Section B, Structural science, crystal engineering and materials, 76, 992-1000. https://doi.org/10.1107/S2052520620012640

Vancouver

Volkov S, Bubnova R, Krzhizhanovskaya M, Galafutnik L. The first bismuth borate oxyiodide, Bi4BO7I: commensurate or incommensurate? Acta crystallographica Section B, Structural science, crystal engineering and materials. 2020 Dec 1;76:992-1000. https://doi.org/10.1107/S2052520620012640

Author

Volkov, Sergey ; Bubnova, Rimma ; Krzhizhanovskaya, Maria ; Galafutnik, Lydia. / The first bismuth borate oxyiodide, Bi4BO7I : commensurate or incommensurate?. In: Acta crystallographica Section B, Structural science, crystal engineering and materials. 2020 ; Vol. 76. pp. 992-1000.

BibTeX

@article{436e02c133f2408c82b5e618f3a1164e,
title = "The first bismuth borate oxyiodide, Bi4BO7I: commensurate or incommensurate?",
abstract = "The first bismuth borate oxyiodide, Bi4BO7I, has been prepared by solid-state reaction in evacuated silica ampoules. Its crystal structure [space group Immm(00γ)000] comprises litharge-related layers of edge-sharing OBi4 tetrahedra; the interlayer space is filled by I- and [BO3]3- anions. The wavevector, q = 0.242 (3)c*, is very close to the rational value of c*/4, yet refinement based on commensurate modulation faces serious problems indicating the incommensurate nature of the modulation. The I-/[BO3]3- anions are ordered in a complex sequence along [001], i.e. -<-BO3-BO3-I-I->n = 28-I-I-I-<-BO3-BO3-I-I->n = 28-BO3-BO3-BO3-, leading to a structural modulation. The principal feature of the latter is the presence of -I-I-I- and -BO3-BO3-BO3- sequences that cannot be accounted for in the a × b × 4c supercell. The thermal expansion of Bi4BO7I is weakly anisotropic (αa = 8, αb = 15 and αc = 17 × 10-6 K-1 at 500 K) which is caused by preferential orientation of the borate groups.",
keywords = "bismuth, borate, incommensurately modulated structure, thermal expansion",
author = "Sergey Volkov and Rimma Bubnova and Maria Krzhizhanovskaya and Lydia Galafutnik",
note = "Copyright: This record is sourced from MEDLINE/PubMed, a database of the U.S. National Library of Medicine",
year = "2020",
month = dec,
day = "1",
doi = "10.1107/S2052520620012640",
language = "English",
volume = "76",
pages = "992--1000",
journal = "Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials",
issn = "2052-5192",
publisher = "International Union of Crystallography",

}

RIS

TY - JOUR

T1 - The first bismuth borate oxyiodide, Bi4BO7I

T2 - commensurate or incommensurate?

AU - Volkov, Sergey

AU - Bubnova, Rimma

AU - Krzhizhanovskaya, Maria

AU - Galafutnik, Lydia

N1 - Copyright: This record is sourced from MEDLINE/PubMed, a database of the U.S. National Library of Medicine

PY - 2020/12/1

Y1 - 2020/12/1

N2 - The first bismuth borate oxyiodide, Bi4BO7I, has been prepared by solid-state reaction in evacuated silica ampoules. Its crystal structure [space group Immm(00γ)000] comprises litharge-related layers of edge-sharing OBi4 tetrahedra; the interlayer space is filled by I- and [BO3]3- anions. The wavevector, q = 0.242 (3)c*, is very close to the rational value of c*/4, yet refinement based on commensurate modulation faces serious problems indicating the incommensurate nature of the modulation. The I-/[BO3]3- anions are ordered in a complex sequence along [001], i.e. -<-BO3-BO3-I-I->n = 28-I-I-I-<-BO3-BO3-I-I->n = 28-BO3-BO3-BO3-, leading to a structural modulation. The principal feature of the latter is the presence of -I-I-I- and -BO3-BO3-BO3- sequences that cannot be accounted for in the a × b × 4c supercell. The thermal expansion of Bi4BO7I is weakly anisotropic (αa = 8, αb = 15 and αc = 17 × 10-6 K-1 at 500 K) which is caused by preferential orientation of the borate groups.

AB - The first bismuth borate oxyiodide, Bi4BO7I, has been prepared by solid-state reaction in evacuated silica ampoules. Its crystal structure [space group Immm(00γ)000] comprises litharge-related layers of edge-sharing OBi4 tetrahedra; the interlayer space is filled by I- and [BO3]3- anions. The wavevector, q = 0.242 (3)c*, is very close to the rational value of c*/4, yet refinement based on commensurate modulation faces serious problems indicating the incommensurate nature of the modulation. The I-/[BO3]3- anions are ordered in a complex sequence along [001], i.e. -<-BO3-BO3-I-I->n = 28-I-I-I-<-BO3-BO3-I-I->n = 28-BO3-BO3-BO3-, leading to a structural modulation. The principal feature of the latter is the presence of -I-I-I- and -BO3-BO3-BO3- sequences that cannot be accounted for in the a × b × 4c supercell. The thermal expansion of Bi4BO7I is weakly anisotropic (αa = 8, αb = 15 and αc = 17 × 10-6 K-1 at 500 K) which is caused by preferential orientation of the borate groups.

KW - bismuth

KW - borate

KW - incommensurately modulated structure

KW - thermal expansion

UR - http://www.scopus.com/inward/record.url?scp=85097572461&partnerID=8YFLogxK

U2 - 10.1107/S2052520620012640

DO - 10.1107/S2052520620012640

M3 - Article

C2 - 33289711

AN - SCOPUS:85097572461

VL - 76

SP - 992

EP - 1000

JO - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

JF - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

SN - 2052-5192

ER -

ID: 72745152