Chemistry:Borate bromide

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Short description: Mixed anion compounds

The borate bromides are mixed anion compounds that contain borate and bromide anions. They are in the borate halide family of compounds which also includes borate fluorides, borate chlorides, and borate iodides.

List

name chem mw crystal system space group unit cell Å volume density comment references
Li3B8O13Br 395.21 orthorhombic Pca21 a 17.3967(5)Å b 9.4077(3)Å c 6.6750 1092.45 2.403 birefringence 0.088@1064 nm [1]
Na3B4O7Br hexagonal P6522 a = 8.146 c = 20.24 1163.1 2.605 [2]
Na11B21O36Br2 1215.72 monoclinic C2/c a=15.722 b=8.951 c=24.087 β=100.728 Z=4 3330.3 2.425 [3]
KBOB K3B6O10Br 422.07 trigonal R3m a=10.1153 c=8.8592 Z=3 785.02 2.678 colourless [4]
K9[B4O5(OH)4]3(CO3)Br·7H2O 1191.75 hexagonal P6_2c a=11243 c=17.132 Z=2 1875 2.11 band gap 5.65 eV [5]
Zn2BO3Br·H2O 287.48 orthorhombic P212121 a=4.962 b=8.484 c=14.644 Z=4 616.5 3.097 NLO 0.6x KDP [6]
KZn2BO3Br2 345.92 trigonal R32 a=4.9611 c=27.221 Z=3 580.2 2.970 white [7]
RbZn2BO3Br2 388.47 trigonal R32 a=4.9618 c=28.199 Z=3 601.2 3.219 white [7]
Ag4B4O7Br2 746.52 hexagonal P6122 a=8.8291 c=44.7416 Z=12 3020.5 4.92 [8]
Ag4BrB7O12 779 triclinic P1 a=8.802 b=8.864 c=9.287 α=64.618 β=74.695 γ=60.765° Z=2 569.9 pale yellow; layered [9]
Sn2B5O9Br 515.34 orthorhombic Pnn2 a = 11.398 b = 11.446 c = 6.553 Z=4 854.9 4.004 birefringence=0.439 at 546 nm; SHG 4.8x; white [10]
Sn3B3O7Br 580.41 orthorhombic Pbca a=10.677 b=8.471 c=20.174 Z=8 1825 4.226 birefringence 0.123@1064 nm [11]
NaBa4(GaB4O9)2Br3 1326.00 tetragonal P42nm a=12.33 c=6.91 Z=2 1053 4.18 NLO 1.1x KDP [12]
La[B5O8(OH)(H2O)2Br] 448.87 monoclinic P21/n a=6.520 b=15.213 c=10.704 β=90.017 Z=4 1061.6 2.808 colourless [13]
LaBOBr La[B7O10(OH)3(H2O)Br] 518.49 monoclinic P21/n a=7.944 b=15.105 c=9.836 β=90 Z=4 1180.3 2.918 [14]
Ce[B5O8(OH)(H2O)2Br] 450.08 monoclinic P21/n a=6.495 b=15.159 c=10.670 β=90.048 Z=4 1050.6 2.846 colourless [13]
CeBOBr Ce[B6O9(OH)2(H2O)2Br]·0.5H2O 500.89 monoclinic P21/n a=8.1507 b=14.874 c=9.867 β=90.085 Z=4 1196.3 2.781 [14]
PrBOBr Pr[B6O9(OH)2(H2O)2Br]·0.5H2O 501.68 monoclinic P21/n a=8.1346 b=14.819 c=9.847 β=90.153 Z=4 1187.0 2.807 green [14]
Pr[B5O8(OH)(H2O)2Br] 450.87 monoclinic P21/n a=6.4910 b=15.143 c=10.664 β=90.0440 Z=4 1048.2 2.857 [13]
NdBOBr Nd2[B12O17.5(OH)5(H2O)4Br1.5]Br0.5·H2O 1018.02 orthorhombic Fdd2 a=30.6641 b=19.7946 c=16.0737 Z=16 9757.3 2.772 purple [14]
Nd4[B18O25(OH)13Br3] 1619.27 monoclinic P2/c a=10.544 b=6.451 c=23.485 β=97.754 Z=2 1583 3.397 purple [13]
SmBOBr Sm4[B18O25(OH)13Br3] 1643.71 monoclinic P21/n a=10.508 b=6.427 c=23.408 β=97.585 Z=2 1567 3.484 [14]
Ba2BO3Br P3m1 a = 5.516, c = 11.019, and Z = 2 [15]
Ba3BO3Br3 triclinic P1 a = 9.280, b = 9.349 c = 13.025, α = 92.71°, β = 98.29°, γ = 116.20° and Z = 4 [15]
Ba7(BO3)3SiO4Br orthorhombic P63mc [16]
Ba7(BO3)3GeO4Br 1354.31 orthorhombic Pbam a=20.381 b=7.477 c=11.175 Z=4 1702.9 5.283 [16]
Pb2Ba3(BO3)3Br 1082.74 orthorhombic C2221 a=10.538 b=14.2878 c=8.107 Z=4 1220.7 5.891 NLO 3.1×KDP; colourless [17]

References

  1. ↑ Hu, Mei; Tuerhong, Nuerbiye; Chen, Zhaohui; Jing, Qun; Lee, Ming-Hsien (2023-02-16). "Li3B8O13X (X = Cl and Br): Two New Noncentrosymmetric Crystals with Large Birefringence Induced by BO3 Units" (in en). Inorganic Chemistry 62 (8): 3609–3615. doi:10.1021/acs.inorgchem.2c04376. ISSN 0020-1669. PMID 36795025. https://pubs.acs.org/doi/10.1021/acs.inorgchem.2c04376. 
  2. ↑ Bai, Chunyan; Han, Shujuan; Pan, Shilie; Zhang, Bingbing; Yang, Yun; Li, Lin; Yang, Zhihua (2015). "Na3B4O7X (X = Cl, Br): two new borate halides with a 1D Na-X (X = Cl, Br) chain formed by the face-sharing XNa6 octahedra" (in en). RSC Advances 5 (16): 12416–12422. doi:10.1039/C4RA16639F. ISSN 2046-2069. Bibcode: 2015RSCAd...512416B. http://xlink.rsc.org/?DOI=C4RA16639F. 
  3. ↑ Dong, Xiaoyu; Wu, Hongping; Shi, Yunjing; Yu, Hongwei; Yang, Zhihua; Zhang, Bingbing; Chen, Zhaohui; Yang, Yun et al. (2013-06-03). "Na11B21O36X2 (X=Cl, Br): Halogen Sodium Borates with a New Graphene-Like Borate Double Layer" (in en). Chemistry - A European Journal 19 (23): 7338–7341. doi:10.1002/chem.201300902. PMID 23630069. Bibcode: 2013ChEuJ..19.7338D. http://doi.wiley.com/10.1002/chem.201300902. 
  4. ↑ Zhang, Min; Su, Xin; Pan, Shilie; Wang, Zheng; Zhang, Hui; Yang, Zhihua; Zhang, Bingbing; Dong, Lingyun et al. (2014-06-05). "Linear and Nonlinear Optical Properties of K3B6O10Br Single Crystal: Experiment and Calculation" (in en). The Journal of Physical Chemistry C 118 (22): 11849–11856. doi:10.1021/jp500858q. ISSN 1932-7447. https://pubs.acs.org/doi/10.1021/jp500858q. 
  5. ↑ Zhang, Xueyan; Wu, Hongping; Cheng, Shichao; Han, Guopeng; Yang, Zhihua; Pan, Shilie (2019-05-20). "K9[B4O5(OH)43(CO3)X·7H2O (X = Cl, Br): Syntheses, Characterizations, and Theoretical Studies of Noncentrosymmetric Halogen Borate–Carbonates with Short UV Cutoff Edges"] (in en). Inorganic Chemistry 58 (10): 6974–6982. doi:10.1021/acs.inorgchem.9b00593. ISSN 0020-1669. PMID 31042371. https://pubs.acs.org/doi/10.1021/acs.inorgchem.9b00593. 
  6. ↑ Song, Yunxia; Yang, Guangsai; Gong, Pifu; Luo, Min; Lin, Zheshuai; Ye, Ning (2020-06-01). "Hydrogen-Bond-Assisted Reinforcement of Interlayer Connections in Zn2BO3X·H2O (X = Cl, Br): Two UV Nonlinear Optical Crystals with KBBF-Type Structure" (in en). Inorganic Chemistry 59 (11): 7789–7794. doi:10.1021/acs.inorgchem.0c00874. ISSN 0020-1669. PMID 32401026. https://pubs.acs.org/doi/10.1021/acs.inorgchem.0c00874. 
  7. ↑ 7.0 7.1 Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning (2016-12-27). "AZn2BO3X2 (A = K, Rb, NH 4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures" (in en). Chemistry of Materials 28 (24): 9122–9131. doi:10.1021/acs.chemmater.6b04272. ISSN 0897-4756. https://pubs.acs.org/doi/10.1021/acs.chemmater.6b04272. 
  8. ↑ Volkov, Sergey N.; Charkin, Dmitri O.; Arsent'ev, Maxim Yu.; Povolotskiy, Alexey V.; Stefanovich, Sergey Yu.; Ugolkov, Valery L.; Krzhizhanovskaya, Maria G.; Shilovskikh, Vladimir V. et al. (2020-03-02). "Bridging the Salt-Inclusion and Open-Framework Structures: The Case of Acentric Ag4B4O7X2 (X = Br, I) Borate Halides" (in en). Inorganic Chemistry 59 (5): 2655–2658. doi:10.1021/acs.inorgchem.0c00306. ISSN 0020-1669. PMID 32049501. https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.0c00306. 
  9. ↑ Volkov, Sergey N.; Charkin, Dmitri O.; Manelis, Lev S.; Arsent'ev, Maxim Yu; Yukhno, Valentina A.; Povolotskiy, Alexey V.; Ugolkov, Valery L.; Krzhizhanovskaya, Maria G. et al. (March 2022). "A new salt-inclusion compound, |Ag4Br|@[B7O12, with a novel type of the porous double-layered borate anion and strong anharmonicity of the "guest" sublattice"] (in en). Solid State Sciences 125. doi:10.1016/j.solidstatesciences.2022.106831. https://linkinghub.elsevier.com/retrieve/pii/S1293255822000267. 
  10. ↑ Guo, Jingyu; Cheng, Shichao; Han, Shujuan; Yang, Zhihua; Pan, Shilie (March 2021). "Sn2B5O9Br as an Outstanding Bifunctional Material with Strong Second-Harmonic Generation Effect and Large Birefringence" (in en). Advanced Optical Materials 9 (5). doi:10.1002/adom.202001734. ISSN 2195-1071. https://onlinelibrary.wiley.com/doi/10.1002/adom.202001734. 
  11. ↑ Guo, Jingyu; Tudi, Abudukadi; Lu, Xiaoquan; Han, Shujuan (2023-01-16). "Noncentrosymmetric versus Centrosymmetric: Halogen Induced Variable Coordination Modes of Sn 2+ and Structural Transition in Sn 3 B 3 O 7 X (X = Cl and Br)" (in en). Inorganic Chemistry 62 (2): 679–684. doi:10.1021/acs.inorgchem.2c04255. ISSN 0020-1669. PMID 36583543. https://pubs.acs.org/doi/10.1021/acs.inorgchem.2c04255. 
  12. ↑ Wen, Ming; Su, Xin; Wu, Hongping; Lu, Juanjuan; Yang, Zhihua; Pan, Shilie (2016-03-24). "NaBa 4 (GaB4O9)2X3 (X = Cl, Br) with NLO-Active GaO 4 Tetrahedral Unit: Experimental and ab Initio Studies" (in en). The Journal of Physical Chemistry C 120 (11): 6190–6197. doi:10.1021/acs.jpcc.6b00265. ISSN 1932-7447. https://pubs.acs.org/doi/10.1021/acs.jpcc.6b00265. 
  13. ↑ 13.0 13.1 13.2 13.3 Polinski, Matthew J.; Wang, Shuao; Cross, Justin N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E. (2012-07-16). "Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates" (in en). Inorganic Chemistry 51 (14): 7859–7866. doi:10.1021/ic3009317. ISSN 0020-1669. PMID 22734798. https://pubs.acs.org/doi/10.1021/ic3009317. 
  14. ↑ 14.0 14.1 14.2 14.3 14.4 Polinski, Matthew J.; Alekseev, Evgeny V.; Darling, Victoria R.; Cross, Justin N.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E. (2013-02-18). "A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework" (in en). Inorganic Chemistry 52 (4): 1965–1975. doi:10.1021/ic302309z. ISSN 0020-1669. PMID 23360290. https://pubs.acs.org/doi/10.1021/ic302309z. 
  15. ↑ 15.0 15.1 Zhao, Jing; Li, R.K. (October 2013). "Two new barium borate bromides: Ba2BO3Br and Ba3BO3Br3" (in en). Solid State Sciences 24: 54–57. doi:10.1016/j.solidstatesciences.2013.07.009. Bibcode: 2013SSSci..24...54Z. https://linkinghub.elsevier.com/retrieve/pii/S1293255813002100. 
  16. ↑ 16.0 16.1 Wen, Ming; Lian, Zhipeng; Wu, Hongping; Su, Xin; Yan, Qingfeng; Lu, Juanjuan; Yang, Zhihua; Pan, Shilie (2015). "Ba7(BO3)3GeO4X (X = Cl, Br): borogermanate halides with rigid GeO4 tetrahedra and flexible XBa 6 octahedra" (in en). RSC Advances 5 (66): 53448–53454. doi:10.1039/C5RA07450A. ISSN 2046-2069. Bibcode: 2015RSCAd...553448W. http://xlink.rsc.org/?DOI=C5RA07450A. 
  17. ↑ Jing, Qun; Dong, Xiaoyu; Yang, Zhihua; Pan, Shilie (2015). "Synthesis and optical properties of the first lead borate bromide with isolated BO3 groups: Pb2Ba3(BO3)3Br" (in en). Dalton Transactions 44 (38): 16818–16823. doi:10.1039/C5DT02652K. ISSN 1477-9226. PMID 26347088. http://xlink.rsc.org/?DOI=C5DT02652K. 

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