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Borate Phosphors for Radiation Dosimetery
Published in S. K. Omanwar, R. P. Sonekar, N. S. Bajaj, Borate Phosphors, 2022
L. Wu et al.[56] has investigated the phase relations in Li2O-CaO-B2O3 and found several new ternary compounds. They further identified that by using the flux method a high-quality single crystal of LiCaBO3 (along with other three LiMgBO3, LiSrBO3 and LiBaBO3) could be obtained. Its structure has also been refined from a powder X-ray diffraction data and found that it is very different from the other three alkaline-earth metal compounds, LiMgBO3 [57] and LiBaBO3 [58] though they have similar chemical formula. The other three compounds all belong to monoclinic crystal system. Specifically, LiCaBO3 compound crystallizes in an orthorhombic unit cell (space group Pbca) with lattice parameters a = 13.227(13) Å, b = 6.1675(6) Å, and c = 6.0620(6) Å. There are eight formulas per unit cell and six unique atoms sites in the unit. Its structure is stacked alternately with [LiBO] and [CaO] layers along the [100] direction. In the [LiBO] layers, the isolated [BO3]3− anionic groups, distributed along two directions, [011] and [0 1− 1], are almost perpendicular to each other. Because of the low Z, LiMgBO3:D & LiCaBO3:D could be the potential candidates as TLD materials.
Oxide Based Supercapacitors I-Manganese Oxides
Published in Ling Bing Kong, Nanomaterials for Supercapacitors, 2017
Ling Bing Kong, Wenxiu Que, Lang Liu, Freddy Yin Chiang Boey, Zhichuan J. Xu, Kun Zhou, Sean Li, Tianshu Zhang, Chuanhu Wang
The spinel sample had a 3D microstructure, with a cubic crystal structure and a Fd3m space group, as well as lattice constant a = 8.03 Å [52, 55]. According to the XRD pattern of OMS-5, hydrothermal reaction under basic conditions led to MnO2 with a 2 × 4 tunnel structure [46, 56, 57]. Splitting of diffraction peaks was observed, suggesting that the sample was a mixture of poorly crystallized microdomains that possessed different cell parameters [12]. The MnO2 phase belonged to monoclinic crystal system, with a C2/m space group and cell parameters of a = 14.434 Å, b = 2.849 Å, c = 23.976 Å and β = 98.18°.
Phase-Change Materials
Published in George A. Lane, Solar Heat Storage: Latent Heat Materials, 1986
Sodium thiosulfate pentahydrate, a form, crystallizes in the monoclinic crystal system, with a, b, and c axes equal to 7.543, 21.618, and 5.9522 Å (10−10 β. The angle β is 103.804°. The crystal is assigned to space group P21/c, with four formula units per unit cell. Figure 28 is a simple representation of this crystal.
Mechanochemical control of solvent content in a 1D coordination polymer
Published in Journal of Coordination Chemistry, 2021
Lisa M. Van Wyk, Leigh Loots, Leonard J. Barbour
All of the materials considered in this study crystallize in the monoclinic crystal system (1aC2/c, 1bP21/n and 1cP21/c, Tables 1 and S1). They all exhibit analogous packing motifs comprising infinite 1D “zig-zag” strands (Figure S6) that form hourglass-shaped guest-accessible channels (Figure 1). These channels comprise ca. 39–44% of the total volume (probe-accessible volume [35]). Adjacent 1D strands are interdigitated and associate by means of offset π···π interactions between their bpy moieties.
Synthesis of phosphoric triamide nanostructures, characterization, X-ray crystallography, and preparation of P2O5-RGO nanocomposites by solvothermal method
Published in Inorganic and Nano-Metal Chemistry, 2023
Tayebeh Charkhandaz, Niloufar Dorosti, Saeed Farhadi, Maciej Kubicki
Details of the X-ray analysis are listed in Table 1. Figure 7 shows ORTEP drawing of the molecular structure. Selected bond distances, angles, and torsion angles are summarized in Table 2, and structural parameters are presented in Tables S1–S5. Compound crystallizes in the monoclinic crystal system with C12/c1 space group. The P = O distance is 1.467(3) Å that is longer than the normal P = O distance (1.45 Å).[28] The configuration of P atom can be described as a distorted tetrahedral with angles in the range of 106.46(17)° –117.41(18)°.
Synthesis, characterization and discussion of two copper(I) complexes with different luminescent properties under the influence of multiple weak forces
Published in Journal of Coordination Chemistry, 2022
Chengjie Gao, Zhenzhou Sun, Ning Zhu, Hongliang Han, Zhongfeng Li, Chaoyue Gu, Yuping Yang, Xiulan Xin, Qiming Qiu, Wei Yang, Guo Wang, Qionghua Jin
Single crystal X-ray diffraction analysis reveals that 1 crystallizes in the monoclinic crystal system in space group I2/a. The asymmetric unit (Figure 2a) consists of one Cu(I) cation, one dmp ligand and one 2-bdppmapy ligand, forming a simple mononuclear heteroleptic complex. The Cu(I) ion is tetracoordinated by two N donor atoms from a dmp molecule and two P donor atoms from the 2-bdppmapy ligand to form a tetrahedral structure. The charge of Cu(I) cation is balanced by a trifluoromethylsulfonate anion. Since the ligand is coordinated in a chelating pattern, the two Cu-P bond lengths [Cu(1)-P(1) = 2.2399(8), Cu(1)-P(2) = 2.2525(7) Å] are similiar and the two Cu-N bonds lengths [Cu(1)-N(1) = 2.077(2), Cu(1)-N(2) = 2.066(2) Å] are similar (Table 2). Compared with the free 2-bdppmapy ligand [19], the structure of 2-bdppmapy was slightly changed after coordination with the central metal. C(33)-N(3)-C(20) = 116.64(3) (2-bdppmapy in 1), C(13)-N(1)-C(14) = 118.27(15)° (free 2-bdppmapy ligand) (Table S2, ESI†) Compared with the free dmp ligand [24], the twist angle between the methyl group and aromatic ring changes after coordination [C(14)-C(13)-N(1) = 118.4(2) (dmp in 1), C(61)-C(6)-N(1) = 116.8(2)° (free dmp ligand)]. Complex 1 forms a 1-D chain structure through a kind of C-H···π interaction (C(44)-H(44) → Cg(7), 2.75 Å) (Figure 2b). In addition, there are four kinds of hydrogen bonds (C(3)-H(3) → F(1), 2.53 Å; C(4)-H(4) → O(2), 2.44 Å; C(9)-H(9) → O(2), 2.55 Å; C(35)-H(35) → O(1), 2.40 Å) between the C-H groups from the ligands and X (X = F,O) atoms from the counter anions, which promotes the complexes into a 2-D network structure (Figure 2c). The network structure can increase the coplanarity of molecules and reduce structural distortion [25]. The structure of 1 is similar to the reported complexes [Cu(dmp)(2-bdppmapy)](BF4) and [Cu(dmp)(2-bdppmapy)(ClO4)] [12, 26], but their packing modes are different due to the difference of counter anions. [Cu(dmp)(2-bdppmapy)](BF4) and [Cu(dmp)(2-bdppmapy)(ClO4)] exhibit different structural characteristics compared with 1 in the packing modes. A kind of π-π interaction, three kinds of C-H···π and C-H···O interactions between the C-H groups from the ligands and oxygen atoms from the counter anions promote the complexes into a 3-D supramolecular structure.