Journal of Inorganic Materials ›› 2018, Vol. 33 ›› Issue (6): 667-672.DOI: 10.15541/jim20170335
• Orginal Article • Previous Articles Next Articles
CHEN Qiao-Ling1, LUO Min2, LIN Chen-Sheng2
Received:
2017-07-17
Revised:
2017-08-24
Online:
2018-06-20
Published:
2018-05-24
CLC Number:
CHEN Qiao-Ling, LUO Min, LIN Chen-Sheng. Synthesis, Characterization and Property of a New UV Nonlinear Optical Crystal KNa5Ca5(CO3)8[J]. Journal of Inorganic Materials, 2018, 33(6): 667-672.
Formula | KNa5Ca5(CO3)8 |
---|---|
Formula mass/amu | 834.53 |
Crystal system | Hexagonal |
Space group | P63 mc |
a/nm | 1.00786(4) |
c/nm | 1.26256(8) |
α/(°) | 90 |
γ/(°) | 120 |
V/nm3 | 1.11066(9) |
Z | 2 |
ρ(calcd)(g/cm3) | 2.495 |
Temperature/K | 293(2) |
λ/nm | 0.071073 |
F (000) | 828 |
μ/mm-1 | 3.600 |
θ/(°) | 2.33-27.50 |
Rint | 0.0304 |
R/wR (I>2σ (I)) | 0.0620/0.1706 |
R/wR (all data) | 0.0624/0.1710 |
GOF on F2 | 1.083 |
Largest Diff. peak and hole (e/nm-3) | 0.900 and-0.000574 |
Table 1 Crystal data and structure refinement for KNa5Ca5(CO3)8
Formula | KNa5Ca5(CO3)8 |
---|---|
Formula mass/amu | 834.53 |
Crystal system | Hexagonal |
Space group | P63 mc |
a/nm | 1.00786(4) |
c/nm | 1.26256(8) |
α/(°) | 90 |
γ/(°) | 120 |
V/nm3 | 1.11066(9) |
Z | 2 |
ρ(calcd)(g/cm3) | 2.495 |
Temperature/K | 293(2) |
λ/nm | 0.071073 |
F (000) | 828 |
μ/mm-1 | 3.600 |
θ/(°) | 2.33-27.50 |
Rint | 0.0304 |
R/wR (I>2σ (I)) | 0.0620/0.1706 |
R/wR (all data) | 0.0624/0.1710 |
GOF on F2 | 1.083 |
Largest Diff. peak and hole (e/nm-3) | 0.900 and-0.000574 |
Crystal | Band gap/ eV | Nonlinear optical effect (×KDP) | Angle between CO3 group and c axis/(°) |
---|---|---|---|
KNa5Ca5(CO3)8 | 5.95 | 1.2 | 18.92 |
CsNa5Ca5(CO3)8 | 5.92 | 1.0 | 16.00 |
Table 2 Optical properties of KNa5Ca5(CO3)8 and CsNa5Ca5(CO3)8
Crystal | Band gap/ eV | Nonlinear optical effect (×KDP) | Angle between CO3 group and c axis/(°) |
---|---|---|---|
KNa5Ca5(CO3)8 | 5.95 | 1.2 | 18.92 |
CsNa5Ca5(CO3)8 | 5.92 | 1.0 | 16.00 |
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