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User:Graeme Bartlett/borate halide

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Ag4B4O7X2 (X = Br, I) https://pubs.acs.org/doi/10.1021/acs.inorgchem.0c00306

See Borate chloride

List

[edit]
name chem mw crystal system space group unit cell Å volume density comment references
Na3B4O7Br hexagonal P6522 a = 8.146 c = 20.24 1163.1 2.605 [1]
Na11B21O36Br2 1215.72 monoclinic C2/c a=15.722 b=8.951 c=24.087 β=100.728 Z=4 3330.3 2.425 [2]
KBOB K3B6O10Br 422.07 trigonal R3m a=10.1153 c=8.8592 Z=3 785.02 2.678 colourless [3]
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 [4]
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 [5]
KZn2BO3Br2 345.92 trigonal R32 a=4.9611 c=27.221 Z=3 580.2 2.970 white [6]
RbZn2BO3Br2 388.47 trigonal R32 a=4.9618 c=28.199 Z=3 601.2 3.219 white [6]
Ag4B4O7Br2 746.52 hexagonal P6122 a=8.8291 c=44.7416 Z=12 3020.5 4.92 [7]
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 [8]
NaBa4(GaB4O9)2Br3 1326.00 tetragonal P42nm a=12.33 c=6.91 Z=2 1053 4.18 NLO 1.1x KDP

[9]

La[B5O8(OH)(H2O)2Br] [10]
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 [11]
Ce[B5O8(OH)(H2O)2Br] [10]
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 [11]
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 [11]
Pr[B5O8(OH)(H2O)2Br] [10]
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 [11]
Nd4[B18O25(OH)13Br3] [10]
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 [11]
Ba2BO3Br P-3m1 a = 5.5157(10) Å, c = 11.019(4) Å, and Z = 2 [12]
Ba3BO3Br3 triclinic P-1 a = 9.280, b = 9.349 c = 13.025, α = 92.71°, β = 98.29°, γ = 116.20° and Z = 4 [12]
Ba7(BO3)3SiO4Br orthorhombic P63mc [13]
Ba7(BO3)3GeO4Br 1354.31 orthorhombic Pbam a=20.381 b=7.477 c=11.175 Z=4 1702.9 5.283 [13]
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 [14]
name chem mw crystal system space group unit cell Å volume density comment references
Cr3B7O13I F4_3c a = 12.171 Z=8 18029 4.17 [15]
Mn3B7O13I F4_3c a = 12.32 Z=8 1870 4.09 [15]
Fe3B7O13I Pca21 a = 8.654 , c = 12.2336 Z=4 915.57 4.19 [15]
Co3B7O13I F4_3c a = 12.119 Z=8 1779.9 4.38 [15]
Ni3B7O13I Pca21 a = 08.511 c = 12.037 Z=4 871.9 4.47 magnetoelectric, ferroelectric and ferroelastic [15]
Cu3B7O13I F4_3c a = 12.0203 Z=8 1736.8 4.60 [15]
Ag4B4O7I2 840.52 hexagonal P6122 a=8.9576 c=45.1956 Z=12 3140.6 5.33 [7]
tin iodide borate Sn3[B3O7]I orthorhombic Pbca a = 10.718, b = 8.523, and c = 20.168 Z = 8 [16]
La[B5O8(OH)(H2O)2I] 495.86 monoclinic P21/n a=6.529 b=15.494 c=10.744 β=90.353 Z=4 1086.8 3.03 colourless [17]
La[B7O11(OH)(H2O)3I] 581.48 orthorhombic P21/n a=8.178 b=17.251 c=9.849 Z=4 1389.4 2.78 colourless [11]
Ce[B5O8(OH)(H2O)2I] 497.07 monoclinic P21/n a= 6.498 b=15.416 c=10.704 β=90.306 Z=4 1072.3 3.079 colourless [17]
Ce[B7O11(OH)(H2O)3I] 582.69 orthorhombic P21/n a=8.1641 b=17.205 c=9.816 Z=4 1378.8 2.807 colourless [11]
Pr[B5O8(OH)(H2O)2I] β= [17]
Pr[B7O11(OH)(H2O)3I] 583.48 orthorhombic P21/n a=8.1504 b=17.205 c=9.814 Z=4 1376.2 2.816 light green [11]
Nd[B5O8(OH)(H2O)2I] [17]
Nd[B7O11(OH)(H2O)3I] 586.81 orthorhombic P21/n a=8.1464 b=17.199 c=9.735 Z=4 1372.2 2.841 purple [11]
Sm[B7O11(OH)(H2O)3I] 592.92 orthorhombic P21/n a=8.102 b=17.158 c=9.733 Z=4 1352.9 2.911 colourless [11]
dilead borate iodide Pb2BO3I trigonal P321 NLO 10 × KDP [18]
Pb2B5O9I 739.35 orthorhombic Pnm2 a=11.561 b=11.700 c=6.524 Z=4 882.5 5.565 colourless or yellow [19]
Pb6O4(BO3)I 1492.85 orthorhombic Pmmn a= 5.78 b=9.72 c=10.63 Z=2 597 8.302 colourless [20]
Pb10O4(BO3)3I3 2693.03 monoclinic Cc a=16.6423 b=9.0277 c=16.9746 β=115.658 Z=4 2298.8 7.781 colourless [21]
tetrabis­muth borate tetraoxy iodide Bi4BO7I 1085.6 orthorhombic Immm a=3.959 b=13.453 c=3.969 Z=1 211.4 8.5279 dark orange [22]
Pu[B7O11(OH)(H2O)2I] [17]

References

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  1. ^ Bai, Chunyan; Han, Shujuan; Pan, Shilie; Zhang, Bingbing; Yang, Yun; Li, Lin; Yang, Zhihua (2015). "Na 3 B 4 O 7 X (X = Cl, Br): two new borate halides with a 1D Na-X (X = Cl, Br) chain formed by the face-sharing XNa 6 octahedra". RSC Advances. 5 (16): 12416–12422. doi:10.1039/C4RA16639F. ISSN 2046-2069.
  2. ^ Dong, Xiaoyu; Wu, Hongping; Shi, Yunjing; Yu, Hongwei; Yang, Zhihua; Zhang, Bingbing; Chen, Zhaohui; Yang, Yun; Huang, Zhenjun; Pan, Shilie; Zhou, Zhongxiang (2013-06-03). "Na 11 B 21 O 36 X 2 (X=Cl, Br): Halogen Sodium Borates with a New Graphene-Like Borate Double Layer". Chemistry - A European Journal. 19 (23): 7338–7341. doi:10.1002/chem.201300902.
  3. ^ Zhang, Min; Su, Xin; Pan, Shilie; Wang, Zheng; Zhang, Hui; Yang, Zhihua; Zhang, Bingbing; Dong, Lingyun; Wang, Ying; Zhang, Fangfang; Yang, Yun (2014-06-05). "Linear and Nonlinear Optical Properties of K 3 B 6 O 10 Br Single Crystal: Experiment and Calculation". The Journal of Physical Chemistry C. 118 (22): 11849–11856. doi:10.1021/jp500858q. ISSN 1932-7447.
  4. ^ Zhang, Xueyan; Wu, Hongping; Cheng, Shichao; Han, Guopeng; Yang, Zhihua; Pan, Shilie (2019-05-20). "K 9 [B 4 O 5 (OH) 4 ] 3 (CO 3 )X·7H 2 O (X = Cl, Br): Syntheses, Characterizations, and Theoretical Studies of Noncentrosymmetric Halogen Borate–Carbonates with Short UV Cutoff Edges". Inorganic Chemistry. 58 (10): 6974–6982. doi:10.1021/acs.inorgchem.9b00593. ISSN 0020-1669.
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  6. ^ a b Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning (2016-12-27). "AZn 2 BO 3 X 2 (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". Chemistry of Materials. 28 (24): 9122–9131. doi:10.1021/acs.chemmater.6b04272. ISSN 0897-4756.
  7. ^ a b 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.; Bubnova, Rimma S. (2020-03-02). "Bridging the Salt-Inclusion and Open-Framework Structures: The Case of Acentric Ag 4 B 4 O 7 X 2 (X = Br, I) Borate Halides". Inorganic Chemistry. 59 (5): 2655–2658. doi:10.1021/acs.inorgchem.0c00306. ISSN 0020-1669.
  8. ^ Guo, Jingyu; Cheng, Shichao; Han, Shujuan; Yang, Zhihua; Pan, Shilie (March 2021). "Sn 2 B 5 O 9 Br as an Outstanding Bifunctional Material with Strong Second‐Harmonic Generation Effect and Large Birefringence". Advanced Optical Materials. 9 (5): 2001734. doi:10.1002/adom.202001734. ISSN 2195-1071.
  9. ^ Wen, Ming; Su, Xin; Wu, Hongping; Lu, Juanjuan; Yang, Zhihua; Pan, Shilie (2016-03-24). "NaBa 4 (GaB 4 O 9 ) 2 X 3 (X = Cl, Br) with NLO-Active GaO 4 Tetrahedral Unit: Experimental and ab Initio Studies". The Journal of Physical Chemistry C. 120 (11): 6190–6197. doi:10.1021/acs.jpcc.6b00265. ISSN 1932-7447.
  10. ^ a b c d 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". Inorganic Chemistry. 51 (14): 7859–7866. doi:10.1021/ic3009317. ISSN 0020-1669.
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  12. ^ a b Zhao, Jing; Li, R.K. (October 2013). "Two new barium borate bromides: Ba2BO3Br and Ba3BO3Br3". Solid State Sciences. 24: 54–57. doi:10.1016/j.solidstatesciences.2013.07.009.
  13. ^ a b Wen, Ming; Lian, Zhipeng; Wu, Hongping; Su, Xin; Yan, Qingfeng; Lu, Juanjuan; Yang, Zhihua; Pan, Shilie (2015). "Ba 7 (BO 3 ) 3 GeO 4 X (X = Cl, Br): borogermanate halides with rigid GeO 4 tetrahedra and flexible XBa 6 octahedra". RSC Advances. 5 (66): 53448–53454. doi:10.1039/C5RA07450A. ISSN 2046-2069.
  14. ^ Jing, Qun; Dong, Xiaoyu; Yang, Zhihua; Pan, Shilie (2015). "Synthesis and optical properties of the first lead borate bromide with isolated BO 3 groups: Pb 2 Ba 3 (BO 3 ) 3 Br". Dalton Transactions. 44 (38): 16818–16823. doi:10.1039/C5DT02652K. ISSN 1477-9226.
  15. ^ a b c d e f Schnelle, Walter; Schmid, Hans (2015-05-20). "Magnetic and structural phase transitions of multiferroic boracites M 3 B 7 O 13 X ( M = 3 d transition metal Cr–Zn or Mg; X = halogen Cl , Br, I)". Physical Review B. 91 (18): 184411. doi:10.1103/PhysRevB.91.184411. ISSN 1098-0121.
  16. ^ Schönegger, Sandra; Pielnhofer, Florian; Saxer, Andreas; Wurst, Klaus; Huppertz, Hubert (2019-05-06). "Synthesis and Characterization of the Tin Iodide Borate Sn 3 [B 3 O 7 ]I". Inorganic Chemistry. 58 (9): 6088–6094. doi:10.1021/acs.inorgchem.9b00377. ISSN 0020-1669.
  17. ^ a b c d e 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". Inorganic Chemistry. 51 (14): 7859–7866. doi:10.1021/ic3009317. ISSN 0020-1669.
  18. ^ Yu, Hongwei; Koocher, Nathan Z.; Rondinelli, James M.; Halasyamani, P. Shiv (2018-05-22). "Pb 2 BO 3 I: A Borate Iodide with the Largest Second-Harmonic Generation (SHG) Response in the KBe 2 BO 3 F 2 (KBBF) Family of Nonlinear Optical (NLO) Materials". Angewandte Chemie International Edition. 57 (21): 6100–6103. doi:10.1002/anie.201802079.
  19. ^ Huang, Yi-Zhi; Wu, Li-Ming; Wu, Xin-Tao; Li, Long-Hua; Chen, Ling; Zhang, Yong-Fan (2010-09-22). "Pb 2 B 5 O 9 I: An Iodide Borate with Strong Second Harmonic Generation". Journal of the American Chemical Society. 132 (37): 12788–12789. doi:10.1021/ja106066k. ISSN 0002-7863.
  20. ^ Li, Kuan; Yalikun, Alimujiang; Su, Zhi (2020). "[O 2 Pb 3 ] 2 (BO 3 )I: a new lead borate iodide with 1∞[O 2 Pb 3 ] double chains". Dalton Transactions. 49 (26): 8985–8990. doi:10.1039/D0DT01722A. ISSN 1477-9226.
  21. ^ Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng (2019). "Pb 10 O 4 (BO 3 ) 3 I 3 : a new noncentrosymmetric oxyborate iodide synthesized by the straightforward hydrothermal method". Dalton Transactions. 48 (40): 14996–15001. doi:10.1039/C9DT02579K. ISSN 1477-9226.
  22. ^ Volkov, Sergey; Bubnova, Rimma; Krzhizhanovskaya, Maria; Galafutnik, Lydia (2020-12-01). "The first bismuth borate oxyiodide, Bi 4 BO 7 I: commensurate or incommensurate?". Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 76 (6): 992–1000. doi:10.1107/S2052520620012640. ISSN 2052-5206.
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