Borate bromide explained

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[B<sub>4</sub>O<sub>5</sub>(OH)<sub>4</sub>]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
	Ag4B4O7Br2	746.52	hexagonal	P6122	a=8.8291 c=44.7416 Z=12	3020.5	4.92		^[8]
	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	^[9]
	NaBa4(GaB4O9)2Br3	1326.00	tetragonal	P42nm	a=12.33 c=6.91 Z=2	1053	4.18	NLO 1.1x KDP	^[10]
	La[B<sub>5</sub>O<sub>8</sub>(OH)(H<sub>2</sub>O)<sub>2</sub>Br]	448.87	monoclinic	P21/n	a=6.520 b=15.213 c=10.704 β=90.017 Z=4	1061.6	2.808	colourless	^[11]
LaBOBr	La[B<sub>7</sub>O<sub>10</sub>(OH)<sub>3</sub>(H<sub>2</sub>O)Br]	518.49	monoclinic	P21/n	a=7.944 b=15.105 c=9.836 β=90 Z=4	1180.3	2.918		^[12]
	Ce[B<sub>5</sub>O<sub>8</sub>(OH)(H<sub>2</sub>O)<sub>2</sub>Br]	450.08	monoclinic	P21/n	a=6.495 b=15.159 c=10.670 β=90.048 Z=4	1050.6	2.846	colourless
CeBOBr	Ce[B<sub>6</sub>O<sub>9</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>Br]·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
PrBOBr	Pr[B<sub>6</sub>O<sub>9</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>Br]·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
	Pr[B<sub>5</sub>O<sub>8</sub>(OH)(H<sub>2</sub>O)<sub>2</sub>Br]	450.87	monoclinic	P21/n	a=6.4910 b=15.143 c=10.664 β=90.0440 Z=4	1048.2	2.857
NdBOBr	Nd2[B<sub>12</sub>O<sub>17.5</sub>(OH)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>Br<sub>1.5</sub>]Br0.5·H2O	1018.02	orthorhombic	Fdd2	a=30.6641 b=19.7946 c=16.0737 Z=16	9757.3	2.772	purple
	Nd4[B<sub>18</sub>O<sub>25</sub>(OH)<sub>13</sub>Br<sub>3</sub>]	1619.27	monoclinic	P2/c	a=10.544 b=6.451 c=23.485 β=97.754 Z=2	1583	3.397	purple
SmBOBr	Sm4[B<sub>18</sub>O<sub>25</sub>(OH)<sub>13</sub>Br<sub>3</sub>]	1643.71	monoclinic	P21/n	a=10.508 b=6.427 c=23.408 β=97.585 Z=2	1567	3.484
	Ba2BO3Br			P-3m1	a = 5.516, c = 11.019, and Z = 2				^[13]
	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
	Ba7(BO3)3SiO4Br		orthorhombic	P63mc					^[14]
	Ba7(BO3)3GeO4Br	1354.31	orthorhombic	Pbam	a=20.381 b=7.477 c=11.175 Z=4	1702.9	5.283
	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	^[15]

Notes and References

1. Hu . Mei . Tuerhong . Nuerbiye . Chen . Zhaohui . Jing . Qun . Lee . Ming-Hsien . 2023-02-16 . Li 3 B 8 O 13 X (X = Cl and Br): Two New Noncentrosymmetric Crystals with Large Birefringence Induced by BO 3 Units . Inorganic Chemistry . 62 . 8 . en . 3609–3615 . 10.1021/acs.inorgchem.2c04376 . 36795025 . 256899976 . 0020-1669.
2. 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. en. 5. 16. 12416–12422. 10.1039/C4RA16639F. 2015RSCAd...512416B. 2046-2069.
3. 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. en. 19. 23. 7338–7341. 10.1002/chem.201300902. 23630069.
4. 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. en. 118. 22. 11849–11856. 10.1021/jp500858q. 1932-7447.
5. 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. en. 58. 10. 6974–6982. 10.1021/acs.inorgchem.9b00593. 31042371. 143422681. 0020-1669.
6. Song. Yunxia. Yang. Guangsai. Gong. Pifu. Luo. Min. Lin. Zheshuai. Ye. Ning. 2020-06-01. Hydrogen-Bond-Assisted Reinforcement of Interlayer Connections in Zn 2 BO 3 X·H 2 O (X = Cl, Br): Two UV Nonlinear Optical Crystals with KBBF-Type Structure. Inorganic Chemistry. en. 59. 11. 7789–7794. 10.1021/acs.inorgchem.0c00874. 32401026. 218618490. 0020-1669.
7. 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. en. 28. 24. 9122–9131. 10.1021/acs.chemmater.6b04272. 0897-4756.
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.. 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. en. 59. 5. 2655–2658. 10.1021/acs.inorgchem.0c00306. 32049501. 211101969. 0020-1669.
9. 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. en. 9. 5. 2001734. 10.1002/adom.202001734. 230528677. 2195-1071.
10. 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. en. 120. 11. 6190–6197. 10.1021/acs.jpcc.6b00265. 1932-7447.
11. 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. en. 51. 14. 7859–7866. 10.1021/ic3009317. 22734798. 0020-1669.
12. 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. Inorganic Chemistry. en. 52. 4. 1965–1975. 10.1021/ic302309z. 23360290. 0020-1669.
13. Zhao. Jing. Li. R.K.. October 2013. Two new barium borate bromides: Ba2BO3Br and Ba3BO3Br3. Solid State Sciences. en. 24. 54–57. 10.1016/j.solidstatesciences.2013.07.009. 2013SSSci..24...54Z.
14. 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. en. 5. 66. 53448–53454. 10.1039/C5RA07450A. 2015RSCAd...553448W. 2046-2069.
15. 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. en. 44. 38. 16818–16823. 10.1039/C5DT02652K. 26347088. 1477-9226.