Ba₄Ga₂B₈O₁₈Cl₂·NaCl:  A New Polar Structure with NaCl Inclusion

Abstract

The title compound, Ba4Ga2B8O18Cl2.NaCl, is found to crystallize in a polar space group P4(2)nm with cell dimensions of a = 12.1134(2) A and c = 6.8456(1) A. The basic building blocks of the structure are the B4O9 groups, which are interconnected by the GaO4 tetrahedron to form a three-dimensional net with Ba2+ ion-, Cl- ion-, and NaCl molecule-filled tunnels. This net structure is closely related to that of mineral hilgardite, with which many variant compounds have been found. Both a powder second-harmonic-generation test and calculations suggest that it possesses an optical nonlinearity comparable to that of potassium dihydrogen phosphate.

Cs2B4SiO9: A Deep‐Ultraviolet Nonlinear Optical Crystal

“…The fractional occupancy of some sites in the crystal structure is observed in other works. [20,27] Cs 2 B 4 SiO 9 [28] crystallizes in a NCS tetragonal space group I " 4 that is neither chiral nor polar. In the asymmetric unit, each Si and B atom occupies one crystallographically unique position and there are two unique Cs and three unique O positions.…”

Ba3M2[B3O6(OH)]2[B4O7(OH)2] (M=Al, Ga): Two Novel UV Nonlinear Optical Metal Borates Containing Two Types of Oxoboron Clusters

“…As part of our ongoing work, we further extended our interest to make inorganic‐templated ABOs and galloborates (GBOs). However, only limited inorganic‐templated ABOs and GBOs, such as K 2 Al 2 B 2 O 7 ,9 BaAl 2 B 2 O 7 ,10 Na 2 Al 2 B 2 O 7 ,11 A′Al 2 B 2 O 7 (A′=Ca/Sr),12 K 2 Al[B 5 O 10 ]⋅4 H 2 O,8c K 2 Ga 2 O(BO 3 ) 2 ,13a Sr 3 Ga 3 (BO 3 ) 4 O(OH),13b Ba 4 Ga 2 B 8 O 18 Cl 2 ⋅NaCl,13c and K 2 [Ga(B 5 O 10 )]⋅4 H 2 O,13d have been reported to date, and most of them are made under high‐temperature solid‐state conditions. In this study, we carried out systematical explorations on the use of alkaline‐earth metals as the templates in making ABOs and GBOs, and made two new borates Ba 3 M 2 [B 3 O 6 (OH)] 2 [B 4 O 7 (OH) 2 ] (M=Al ( 1 ), Ga ( 2 )).…”

A Novel Boron Oxide Organic Open‐Framework Compound: B6O9(en)2@(H2en)Cl2

“…The channels are occupied by (H 2 en)Cl 2 , which is a template and is essential to the formation of the open framework, as it prevents the interpenetration of neutral nets. Notably, the borate with an inclusion is rare, [9] and compound 1 is the only one with an inclusion in non-metal boron oxide organic compounds. The fundamental building block (FBB) [10] of neutral 2D [B 6 O 9 ] layers, which can be described as 4ᮀ2᭝Ͻ᭝2ᮀϾϽ᭝2ᮀϾ, [10] consists of two six-membered rings each comprising one triangular (᭝) BO 3 and two tetrahedral (ᮀ) BO 3 N groups.…”