Acta Chimica Sinica ›› 2022, Vol. 80 ›› Issue (3): 259-264.DOI: 10.6023/A21120585 Previous Articles Next Articles
Special Issue: 中国科学院青年创新促进会合辑
Article
赵锦旭a,b, 张铭枢a, 陈文发a, 姜小明a, 刘彬文a,*(), 郭国聪a,*()
投稿日期:
2021-12-27
发布日期:
2022-01-12
通讯作者:
刘彬文, 郭国聪
作者简介:
基金资助:
Jinxu Zhaoa,b, Mingshu Zhanga, Wenfa Chena, Xiaoming Jianga, Binwen Liua(), Guocong Guoa()
Received:
2021-12-27
Published:
2022-01-12
Contact:
Binwen Liu, Guocong Guo
About author:
Supported by:
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Jinxu Zhao, Mingshu Zhang, Wenfa Chen, Xiaoming Jiang, Binwen Liu, Guocong Guo. KAg3Ga8S14: An Mid- and Far-infrared Nonlinear Optical Material Exhibiting High Laser-induced Damage Threshold※[J]. Acta Chimica Sinica, 2022, 80(3): 259-264.
Empirical formula | KAg3Ga8S14 |
---|---|
Fw | 1369.31 |
Temperature/K | 293(2) |
Space group | Cm |
a/nm | 1.23185(6) |
b/nm | 1.11823(4) |
c/nm | 0.92501(4) |
α/(°) | 90 |
β/(°) | 115.661(4) |
γ/(°) | 90 |
Volume/nm3 | 1.14852(9) |
Z | 2 |
Dcalc/(g•cm-3) | 3.960 |
μ/mm-1 | 13.161 |
GOF on F2 | 1.062 |
R1a [I≥2σ (I)] | 0.0172 |
wR2b [I≥2σ (I)] | 0.0350 |
R1a [all data] | 0.0176 |
wR2b [all data] | 0.0351 |
Flack | 0.032(10) |
(Δρmax/Δρmin)/(e•nm-3) | 820/–500 |
Empirical formula | KAg3Ga8S14 |
---|---|
Fw | 1369.31 |
Temperature/K | 293(2) |
Space group | Cm |
a/nm | 1.23185(6) |
b/nm | 1.11823(4) |
c/nm | 0.92501(4) |
α/(°) | 90 |
β/(°) | 115.661(4) |
γ/(°) | 90 |
Volume/nm3 | 1.14852(9) |
Z | 2 |
Dcalc/(g•cm-3) | 3.960 |
μ/mm-1 | 13.161 |
GOF on F2 | 1.062 |
R1a [I≥2σ (I)] | 0.0172 |
wR2b [I≥2σ (I)] | 0.0350 |
R1a [all data] | 0.0176 |
wR2b [all data] | 0.0351 |
Flack | 0.032(10) |
(Δρmax/Δρmin)/(e•nm-3) | 820/–500 |
Bond | Distance/nm | Bond | Distance/nm |
---|---|---|---|
K1—S5 | 0.3496(4) | Ga1—S1 | 0.2319(1) |
K1—S5 | 0.3496(4) | Ga1—S3 | 0.2308(2) |
K1—S6 | 0.3436(2) | Ga1—S4 | 0.2251(9) |
K1—S6 | 0.3436(2) | Ga1—S6 | 0.2235(9) |
K1—S7 | 0.3445(2) | Ga2—S1 | 0.2348(4) |
K1—S7 | 0.3445(2) | Ga2—S6 | 0.2256(2) |
K1—S8 | 0.3297(3) | Ga2—S7 | 0.2259(2) |
K1—S9 | 0.3312(3) | Ga2—S9 | 0.2266(2) |
Ag1—S2 | 0.2591(2) | Ga3—S1 | 0.2318(2) |
Ag1—S4 | 0.2534(2) | Ga3—S2 | 0.2250(4) |
Ag1—S7 | 0.2490(5) | Ga3—S3 | 0.2322(2) |
Ag1—S7 | 0.2490(5) | Ga3—S5 | 0.2250(1) |
Ag2—S4 | 0.2616(2) | Ga4—S3 | 0.2370(2) |
Ag2—S5 | 0.2573(8) | Ga4—S5 | 0.2259(2) |
Ag2—S5 | 0.2573(8) | Ga4—S7 | 0.2262(2) |
Ag2—S9 | 0.2564(5) | Ga4—S8 | 0.2271(1) |
Ag3—S2 | 0.2602(2) | ||
Ag3—S6 | 0.2518(6) | ||
Ag3—S6 | 0.2518(6) | ||
Ag3—S8 | 0.2492(2) |
Bond | Distance/nm | Bond | Distance/nm |
---|---|---|---|
K1—S5 | 0.3496(4) | Ga1—S1 | 0.2319(1) |
K1—S5 | 0.3496(4) | Ga1—S3 | 0.2308(2) |
K1—S6 | 0.3436(2) | Ga1—S4 | 0.2251(9) |
K1—S6 | 0.3436(2) | Ga1—S6 | 0.2235(9) |
K1—S7 | 0.3445(2) | Ga2—S1 | 0.2348(4) |
K1—S7 | 0.3445(2) | Ga2—S6 | 0.2256(2) |
K1—S8 | 0.3297(3) | Ga2—S7 | 0.2259(2) |
K1—S9 | 0.3312(3) | Ga2—S9 | 0.2266(2) |
Ag1—S2 | 0.2591(2) | Ga3—S1 | 0.2318(2) |
Ag1—S4 | 0.2534(2) | Ga3—S2 | 0.2250(4) |
Ag1—S7 | 0.2490(5) | Ga3—S3 | 0.2322(2) |
Ag1—S7 | 0.2490(5) | Ga3—S5 | 0.2250(1) |
Ag2—S4 | 0.2616(2) | Ga4—S3 | 0.2370(2) |
Ag2—S5 | 0.2573(8) | Ga4—S5 | 0.2259(2) |
Ag2—S5 | 0.2573(8) | Ga4—S7 | 0.2262(2) |
Ag2—S9 | 0.2564(5) | Ga4—S8 | 0.2271(1) |
Ag3—S2 | 0.2602(2) | ||
Ag3—S6 | 0.2518(6) | ||
Ag3—S6 | 0.2518(6) | ||
Ag3—S8 | 0.2492(2) |
Bond | Angle/(°) | Bond | Angle/(°) |
---|---|---|---|
S6—K1—S6 | 70.64(7) | S4—Ga1—S1 | 104.51(6) |
S6—K1—S7 | 101.95(8) | S4—Ga1—S3 | 110.72(6) |
S6—K1—S7 | 61.16(4) | S6—Ga1—S1 | 111.14(6) |
S7—K1—S5 | 61.36(3) | S6—Ga1—S3 | 116.20(6) |
S7—K1—S5 | 133.90(7) | S6—Ga1—S4 | 107.34(6) |
S7—K1—S5 | 133.89(7) | S6—Ga2—S1 | 108.19(6) |
S7—K1—S7 | 73.19(6) | S6—Ga2—S7 | 115.76(6) |
S8—K1—S5 | 88.42(4) | S6—Ga2—S9 | 104.80(7) |
S8—K1—S6 | 124.55(6) | S7—Ga2—S1 | 110.09(6) |
S8—K1—S7 | 63.44(5) | S7—Ga2—S9 | 104.53(6) |
S8—K1—S9 | 168.34(10) | S9—Ga2—S1 | 113.49(7) |
S9—K1—S5 | 89.48(4) | S1—Ga3—S3 | 109.81(6) |
S9—K1—S6 | 64.10(5) | S2—Ga3—S1 | 108.62(6) |
S9—K1—S7 | 124.94(7) | S2—Ga3—S3 | 109.34(7) |
S4—Ag1—S2 | 96.10(7) | S5—Ga3—S1 | 106.19(6) |
S7—Ag1—S2 | 107.33(5) | S5—Ga3—S2 | 116.45(7) |
S7—Ag1—S7 | 111.08(7) | S5—Ga3—S3 | 106.28(6) |
S5—Ag2—S4 | 106.49(5) | S5—Ga4—S3 | 103.62(6) |
S5—Ag2—S5 | 113.54(7) | S5—Ga4—S7 | 112.28(6) |
S9—Ag2—S4 | 97.06(7) | S5—Ga4—S8 | 123.47(6) |
S9—Ag2—S5 | 115.49(4) | S7—Ga4—S3 | 105.67(6) |
S6—Ag3—S2 | 101.87(5) | S7—Ga4—S8 | 103.00(6) |
S6—Ag3—S2 | 101.88(5) | S8—Ga4—S3 | 107.60(6) |
S6—Ag3—S6 | 104.13(8) |
Bond | Angle/(°) | Bond | Angle/(°) |
---|---|---|---|
S6—K1—S6 | 70.64(7) | S4—Ga1—S1 | 104.51(6) |
S6—K1—S7 | 101.95(8) | S4—Ga1—S3 | 110.72(6) |
S6—K1—S7 | 61.16(4) | S6—Ga1—S1 | 111.14(6) |
S7—K1—S5 | 61.36(3) | S6—Ga1—S3 | 116.20(6) |
S7—K1—S5 | 133.90(7) | S6—Ga1—S4 | 107.34(6) |
S7—K1—S5 | 133.89(7) | S6—Ga2—S1 | 108.19(6) |
S7—K1—S7 | 73.19(6) | S6—Ga2—S7 | 115.76(6) |
S8—K1—S5 | 88.42(4) | S6—Ga2—S9 | 104.80(7) |
S8—K1—S6 | 124.55(6) | S7—Ga2—S1 | 110.09(6) |
S8—K1—S7 | 63.44(5) | S7—Ga2—S9 | 104.53(6) |
S8—K1—S9 | 168.34(10) | S9—Ga2—S1 | 113.49(7) |
S9—K1—S5 | 89.48(4) | S1—Ga3—S3 | 109.81(6) |
S9—K1—S6 | 64.10(5) | S2—Ga3—S1 | 108.62(6) |
S9—K1—S7 | 124.94(7) | S2—Ga3—S3 | 109.34(7) |
S4—Ag1—S2 | 96.10(7) | S5—Ga3—S1 | 106.19(6) |
S7—Ag1—S2 | 107.33(5) | S5—Ga3—S2 | 116.45(7) |
S7—Ag1—S7 | 111.08(7) | S5—Ga3—S3 | 106.28(6) |
S5—Ag2—S4 | 106.49(5) | S5—Ga4—S3 | 103.62(6) |
S5—Ag2—S5 | 113.54(7) | S5—Ga4—S7 | 112.28(6) |
S9—Ag2—S4 | 97.06(7) | S5—Ga4—S8 | 123.47(6) |
S9—Ag2—S5 | 115.49(4) | S7—Ga4—S3 | 105.67(6) |
S6—Ag3—S2 | 101.87(5) | S7—Ga4—S8 | 103.00(6) |
S6—Ag3—S2 | 101.88(5) | S8—Ga4—S3 | 107.60(6) |
S6—Ag3—S6 | 104.13(8) |
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