A new boroantimonate K2SbB3O8 has been synthesized by high-temperature solidstate reactions, and its crystals have been obtained by the flux method. The crystal structure has been determined from single-crystal X-ray ...A new boroantimonate K2SbB3O8 has been synthesized by high-temperature solidstate reactions, and its crystals have been obtained by the flux method. The crystal structure has been determined from single-crystal X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/c with a = 5.8890（2）, b = 11.0512（4）, c = 10.8951（4）A, β =103.200（4）°, V = 690.32（4） A^3, Z = 4, F（000） = 672, ρc = 3.467 g/cm^3, Mr = 360.38 and μ = 5.215mm^-1. Its structure feature is a three-dimensional framework composed of SbO6 octahedra and isolated [B3O8]^7- groups with K＋ cations residing in the one-dimensional tunnels along the a-axis.Interestingly, the isolated [B3O8]^7- groups are distinct from the known [B3O8]^7- groups, which always connect to each other. The UV-vis-NIR absorption, thermal stability and infrared spectrum are also discussed in this paper.展开更多
Compared with borates, carbonates, nitrates and phosphates, sulfates have been ignored as nonlinear optical(NLO) materials for a long time. Recently, researchers started to realize sulfates which have the potential as...Compared with borates, carbonates, nitrates and phosphates, sulfates have been ignored as nonlinear optical(NLO) materials for a long time. Recently, researchers started to realize sulfates which have the potential as NLO materials, and synthesized some sulfate NLO materials by the water solution method and solvothermal method. However, all these sulfate NLO materials have the same problem of low thermal stability. Here, we synthesized a new Cs4 Mg6(SO4)8, which crystallizes in the orthorhombic space group P212121 with a = 9.102, b = 9.955, c = 16.127 ?, V = 1461.3 ?3, Z = 2, F(000) = 1352, μ = 5.777 mm-1, R = 0.0213 and wR = 0.0480. The single crystal structure can be described as a three-dimensional framework constructed by MgO6 octahedra and SO4 tetrahedra. Relevant optical measurements indicate that Cs4 Mg6(SO4)8 is short-wave ultraviolet transparent and has a moderate second harmonic generation response. Theoretical calculations by the CASTEP package reveal that S–O groups are NLO-active anionic groups. Significantly, Cs4 Mg6(SO4)8 has high thermal stability up to 781 ℃ based on thermal analyses. We believe that our work will provide a new strategy for researchers to develop new sulfate short-wave ultraviolet NLO materials of high thermal stability.展开更多
基金Supported by NSFC(21171166,21222102,21301172,21373220,21571178,21525104,51277091,51402296,51502288 and 51502290)Chunmiao Project of Haixi Institute of Chinese Academy of Sciences(CMZX-2015-003)NSF of Fujian Province(2015J01219,2015J05040)
文摘A new boroantimonate K2SbB3O8 has been synthesized by high-temperature solidstate reactions, and its crystals have been obtained by the flux method. The crystal structure has been determined from single-crystal X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/c with a = 5.8890（2）, b = 11.0512（4）, c = 10.8951（4）A, β =103.200（4）°, V = 690.32（4） A^3, Z = 4, F（000） = 672, ρc = 3.467 g/cm^3, Mr = 360.38 and μ = 5.215mm^-1. Its structure feature is a three-dimensional framework composed of SbO6 octahedra and isolated [B3O8]^7- groups with K＋ cations residing in the one-dimensional tunnels along the a-axis.Interestingly, the isolated [B3O8]^7- groups are distinct from the known [B3O8]^7- groups, which always connect to each other. The UV-vis-NIR absorption, thermal stability and infrared spectrum are also discussed in this paper.
基金This work was financially supported by the National Natural Science Foundation of China(22122507,21833010,61975207,22193042,and 21921001)the Natural Science Foundation of Fujian Province(2022J02012)+2 种基金the Youth Innovation Promotion Association of the Chinese Academy of Sciences(Y202069)the Key Research Program of Frontier Sciences of the Chinese Academy of Sciences(ZDBS-LY-SLH024)as well as Fujian Institute of Innovation(FJCXY18010201)in the Chinese Academy of Sciences.
基金financially supported by the National Natural Science Foundation of China(21833010,21571178,21601188,51872297,51802321)。
文摘Compared with borates, carbonates, nitrates and phosphates, sulfates have been ignored as nonlinear optical(NLO) materials for a long time. Recently, researchers started to realize sulfates which have the potential as NLO materials, and synthesized some sulfate NLO materials by the water solution method and solvothermal method. However, all these sulfate NLO materials have the same problem of low thermal stability. Here, we synthesized a new Cs4 Mg6(SO4)8, which crystallizes in the orthorhombic space group P212121 with a = 9.102, b = 9.955, c = 16.127 ?, V = 1461.3 ?3, Z = 2, F(000) = 1352, μ = 5.777 mm-1, R = 0.0213 and wR = 0.0480. The single crystal structure can be described as a three-dimensional framework constructed by MgO6 octahedra and SO4 tetrahedra. Relevant optical measurements indicate that Cs4 Mg6(SO4)8 is short-wave ultraviolet transparent and has a moderate second harmonic generation response. Theoretical calculations by the CASTEP package reveal that S–O groups are NLO-active anionic groups. Significantly, Cs4 Mg6(SO4)8 has high thermal stability up to 781 ℃ based on thermal analyses. We believe that our work will provide a new strategy for researchers to develop new sulfate short-wave ultraviolet NLO materials of high thermal stability.
基金supported by the National Natural Science Foundation of China(21833010,22193042,22125110,21921001,22122507,61975207,and U21A2069)the Youth Innovation Promotion of Chinese Academy of Sciences(Y202069)+5 种基金the Natural Science Foundation of Fujian Province(2021J01523 and2022J02012)the Key Research Program of Frontier Sciences of the Chinese Academy of Sciences(ZDBS-LY-SLH024)Fujian Institute of Innovation in Chinese Academy of Sciences(FJCXY18010201)Young Talent Supporting Project of Fujian Association of Science and Technology(2021000008)the National Postdoctoral Program for Innovative Talents(BX2021315)the National Key Research and Development Program of China(2019YFA0210402).
