Standard
Ag4B7O12X (X = Cl, Br, I) Heptaborate Family: Comprehensive Crystal Chemistry, Thermal Stability Trends, Topology, and Vibrational Anharmonicity. / Volkov, Sergey N. ; Charkin, Dmitry ; Firsova, V.A.; Manelis, Lev S.; Banaru, Alexander M.; Povolotskiy, Alexey V. ; Yukhno, V. A.; Arsent'Ev, Maxim Yu; Savchenko, Y.; Ugolkov, V. L.; Krzhizhanovskaya, Maria G. ; Bubnova, Rimma S. .
In:
Inorganic Chemistry, Vol. 62, No. 1, 01.2023, p. 30-34.
Research output: Contribution to journal › Article › peer-review
Harvard
Volkov, SN, Charkin, D, Firsova, VA, Manelis, LS, Banaru, AM
, Povolotskiy, AV, Yukhno, VA, Arsent'Ev, MY, Savchenko, Y, Ugolkov, VL
, Krzhizhanovskaya, MG & Bubnova, RS 2023, '
Ag4B7O12X (X = Cl, Br, I) Heptaborate Family: Comprehensive Crystal Chemistry, Thermal Stability Trends, Topology, and Vibrational Anharmonicity',
Inorganic Chemistry, vol. 62, no. 1, pp. 30-34.
https://doi.org/10.1021/acs.inorgchem.2c03680APA
Volkov, S. N., Charkin, D., Firsova, V. A., Manelis, L. S., Banaru, A. M.
, Povolotskiy, A. V., Yukhno, V. A., Arsent'Ev, M. Y., Savchenko, Y., Ugolkov, V. L.
, Krzhizhanovskaya, M. G., & Bubnova, R. S. (2023).
Ag4B7O12X (X = Cl, Br, I) Heptaborate Family: Comprehensive Crystal Chemistry, Thermal Stability Trends, Topology, and Vibrational Anharmonicity.
Inorganic Chemistry,
62(1), 30-34.
https://doi.org/10.1021/acs.inorgchem.2c03680Vancouver
Volkov SN, Charkin D, Firsova VA, Manelis LS, Banaru AM
, Povolotskiy AV et al.
Ag4B7O12X (X = Cl, Br, I) Heptaborate Family: Comprehensive Crystal Chemistry, Thermal Stability Trends, Topology, and Vibrational Anharmonicity.
Inorganic Chemistry. 2023 Jan;62(1):30-34.
https://doi.org/10.1021/acs.inorgchem.2c03680Author
Volkov, Sergey N. ; Charkin, Dmitry ; Firsova, V.A. ; Manelis, Lev S. ; Banaru, Alexander M.
; Povolotskiy, Alexey V. ; Yukhno, V. A. ; Arsent'Ev, Maxim Yu ; Savchenko, Y. ; Ugolkov, V. L.
; Krzhizhanovskaya, Maria G. ; Bubnova, Rimma S. . /
Ag4B7O12X (X = Cl, Br, I) Heptaborate Family: Comprehensive Crystal Chemistry, Thermal Stability Trends, Topology, and Vibrational Anharmonicity. In:
Inorganic Chemistry. 2023 ; Vol. 62, No. 1. pp. 30-34.
BibTeX
@article{9cfdcc9612884dc8b85529eaa1008c97,
title = "Ag4B7O12X (X = Cl, Br, I) Heptaborate Family: Comprehensive Crystal Chemistry, Thermal Stability Trends, Topology, and Vibrational Anharmonicity",
abstract = "Using glass crystallization and solid-state techniques, we were able to complete the family of salt-inclusion silver halide borates, Ag4B7O12X, by the X = Cl and I members. The new compounds are characterized by differential scanning calorimetry, single-crystal and high-temperature powder X-ray diffraction, optical spectroscopy, and density functional theory calculations. In all structures, the silver atoms exhibit strong anharmonicity of thermal vibrations, which could be modeled using Gram-Charlier expansion, and its asymmetry was characterized by the skewness vector. The topology of the silver halide and borate sublattices has been analyzed separately for the first time. Along the I → Br → Cl series, we observe a decrease of the melting point and configuration entropy and an increase of thermal expansion and its anisotropy and thermal vibration anharmonicity, which indicates decreasing stability.",
author = "Volkov, {Sergey N.} and Dmitry Charkin and V.A. Firsova and Manelis, {Lev S.} and Banaru, {Alexander M.} and Povolotskiy, {Alexey V.} and Yukhno, {V. A.} and Arsent'Ev, {Maxim Yu} and Y. Savchenko and Ugolkov, {V. L.} and Krzhizhanovskaya, {Maria G.} and Bubnova, {Rimma S.}",
year = "2023",
month = jan,
doi = "10.1021/acs.inorgchem.2c03680",
language = "English",
volume = "62",
pages = "30--34",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "1",
}
RIS
TY - JOUR
T1 - Ag4B7O12X (X = Cl, Br, I) Heptaborate Family: Comprehensive Crystal Chemistry, Thermal Stability Trends, Topology, and Vibrational Anharmonicity
AU - Volkov, Sergey N.
AU - Charkin, Dmitry
AU - Firsova, V.A.
AU - Manelis, Lev S.
AU - Banaru, Alexander M.
AU - Povolotskiy, Alexey V.
AU - Yukhno, V. A.
AU - Arsent'Ev, Maxim Yu
AU - Savchenko, Y.
AU - Ugolkov, V. L.
AU - Krzhizhanovskaya, Maria G.
AU - Bubnova, Rimma S.
PY - 2023/1
Y1 - 2023/1
N2 - Using glass crystallization and solid-state techniques, we were able to complete the family of salt-inclusion silver halide borates, Ag4B7O12X, by the X = Cl and I members. The new compounds are characterized by differential scanning calorimetry, single-crystal and high-temperature powder X-ray diffraction, optical spectroscopy, and density functional theory calculations. In all structures, the silver atoms exhibit strong anharmonicity of thermal vibrations, which could be modeled using Gram-Charlier expansion, and its asymmetry was characterized by the skewness vector. The topology of the silver halide and borate sublattices has been analyzed separately for the first time. Along the I → Br → Cl series, we observe a decrease of the melting point and configuration entropy and an increase of thermal expansion and its anisotropy and thermal vibration anharmonicity, which indicates decreasing stability.
AB - Using glass crystallization and solid-state techniques, we were able to complete the family of salt-inclusion silver halide borates, Ag4B7O12X, by the X = Cl and I members. The new compounds are characterized by differential scanning calorimetry, single-crystal and high-temperature powder X-ray diffraction, optical spectroscopy, and density functional theory calculations. In all structures, the silver atoms exhibit strong anharmonicity of thermal vibrations, which could be modeled using Gram-Charlier expansion, and its asymmetry was characterized by the skewness vector. The topology of the silver halide and borate sublattices has been analyzed separately for the first time. Along the I → Br → Cl series, we observe a decrease of the melting point and configuration entropy and an increase of thermal expansion and its anisotropy and thermal vibration anharmonicity, which indicates decreasing stability.
UR - https://www.mendeley.com/catalogue/9a5805bb-a8fc-30dd-b65b-5e5cfc4c1ed2/
U2 - 10.1021/acs.inorgchem.2c03680
DO - 10.1021/acs.inorgchem.2c03680
M3 - Article
VL - 62
SP - 30
EP - 34
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 1
ER -
