Structure of calcium fluoroborate, Ca5(BO3)3F

Growth and characterization of a new nonlinear optical crystal Ca5(BO3)3F

“…The major SHG effect of Ca 5 (BO 3 ) 3 F comes from the BO 3 triangles, and the CaO 4 X 2 octahedrons contribute nearly zero [1]. The structure of Ca 5 (BO 3 ) 3 F is similar to those of RECa 4 O(-BO 3 ) 3 .…”

“…The structure of calcium fluoroborate (Ca 5 (BO 3 ) 3 F) was described in 1989 by Lei et al [1]. It crystallizes in Cm space group (monoclinic system) with cell parameters a ¼ 8:125ð3ÞÅ, b ¼ 16:051ð5ÞÅ, c ¼ 3:538ð2ÞÅ, b ¼ 100:90ð4Þ1, and z ¼ 2, and the authors reported that powder secondharmonic generation (SHG) efficiency of Ca 5 (BO 3 ) 3 F was two to three times as large as that of NH 4 H 2 PO 4 (ADP) and transparency range was 190-3600 nm.…”

Borate Materials in Nonlinear Optics

“…Crystals grown within 1050 C±1100 C by slow cooling (1±2 C/day) obtained dimensions of 7´7´3 mm 3 and were reported to be of good optical quality. [101,102] The potential NLO borate Ca 5 (BO 3 ) 3 F with isolated [BO 3 ] triangles as NLO-active groups and monoclinic space group symmetry Cm [103] is only grown as small crystals by the flux method from a melt containing CaCO 3 , H 3 BO 3 , and CaF 2 , but no further details are reported. [103] The family of the pyroborates ANbOB 2 O 5 , with A = K, Rb, Cs, crystallizing in Pna2 1 (for A = K) [104,105] and Pnm2 1 (for A = Rb, [106] Cs [107] ) [104] to 8 C/day, [105] resulting in crystal sizes up to 8´10´3 mm 3 for RbNbOB 2 O 5 and 2´2´5 mm 3 for KNbOB 2 O 5 .…”

Crystal Structures of the New Borate Fluorides BaMBO3F2 (M=Ga, Al)

“…These two compounds represent new members of the family of #uoride borates which, from a survey of the inorganic databases (2,3), is so far limited to a handful of well-characterized compounds. These include M (BO ) F with M"Mg, Ca (4,5) (12) and MBe BO F (M"Na, K, Rb, Cs) (13}15). The latter compounds are noncentrosymmetric and, for M"Na and K, have been shown to possess interesting nonlinear optical properties (14,15).…”