Exploration and Optimization of Tellurium‐Based Thermoelectrics
Exploration and Optimization of Tellurium‐Based Thermoelectrics
Exploration and Optimization of Tellurium‐Based Thermoelectrics
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Table B.6 Selected interatomic distances [Å] <strong>of</strong> Ba 3Cu 17‐x(S,Te) 11 <strong>and</strong> Ba 3Cu 17‐x(S,Te) 11.5.<br />
Ba3Cu17‐x(S,Te)11 distance range distance range<br />
Ba Q1 2x 3.5662(8) ‐ 3.6047(4) Cu1 Cu1 3x 2.458(3) ‐ 2.894(4)<br />
S3 2x 3.268(2) ‐ 3.3004(7) Cu3 1x 2.811(2) ‐ 2.8171(7)<br />
S4 1x 3.2829(9) ‐ 3.298(3) Cu4 1x 2.746(3) ‐ 2.7645(7)<br />
S5 3x 3.1169(7) ‐ 3.322(1) Cu5 1x 2.8224(6) ‐ 2.830(3)<br />
Q1 2x 2.666(2) ‐ 2.7605(5)<br />
Cu2 Cu2B 3x ‘0.40(2)’, 3.06(3) Te2 1x 3.126(2) ‐ 3.154(2)<br />
Cu3 1x 2.70(1) ‐ 2.800(4) S5 1x 2.213(3) ‐ 2.2365(9)<br />
Cu4 1x 2.63(1) ‐ 2.663(4)<br />
Cu6 1x 2.42(4) ‐ 2.90(4) Cu3 Cu1 2x 2.811(2) ‐ 2.8171(7)<br />
Q1 1x 2.585(3) ‐ 2.669(8) Cu2B 2x 2.92(2)<br />
S3 2x 2.565(8) ‐ 2.613(2) Cu4 3x 2.712(3) ‐ 2.7764(5)<br />
S4 1x 2.228(4) ‐ 2.29(1) Te2 1x 3.039(2) ‐ 3.0556(7)<br />
S3 2x 2.395(2) ‐ 2.4116(7)<br />
Cu2B Cu2 1x 3.06(2) S5 1x 2.306(4) ‐ 2.317(1)<br />
Cu2B 2x ‘0.68(4)’, 2.71(4)<br />
Cu6 1x 2.24(5) Cu4 Cu1 2x 2.746(3) ‐ 2.7645(7)<br />
Q1 1x 2.645(8) Cu2 1x 2.63(1) ‐ 2.663(4)<br />
S3 1x 2.48(2) Cu2B 2x 2.81(2)<br />
S4 1x 2.19(1) Cu3 3x 2.712(3) ‐ 2.7764(5)<br />
Q1 1x 2.812(3) ‐ 2.8323(7)<br />
Cu5 Cu1 6x 2.8224(6) ‐ 2.830(3) Te2 1x 2.615(2) ‐ 2.6167(7)<br />
Cu6 1x 1.84(5) ‐ 2.81(7) S3 2x 2.429(3) ‐ 2.4439(8)<br />
Q1 3x 2.701(3) ‐ 2.7520(7)<br />
Te2 1x 2.523(6) ‐ 2.552(1) Cu6 Cu2 3x 2.42(4) ‐ 2.90(4)<br />
Cu2B 5x 2.24(5)<br />
Cu5 1x 1.84(5) ‐ 2.81(7)<br />
Q1 3x 2.268(7) ‐ 2.57(4)<br />
S4 1x 3.43(5) ‐ 2.60(8)<br />
Ba3Cu17‐x(S,Te)11.5 distance range distance range<br />
Ba Q1 4x 3.5932(6) ‐ 3.6067(5) Cu1 Cu1 4x 2.461(2) ‐ 2.874(3)<br />
S3 4x 3.161(1) ‐ 3.167(1) Cu3 2x 2.810(1) ‐ 2.819(2)<br />
Q1 2x 2.714(1) ‐ 2.7224(9)<br />
Cu2 Cu2 3x 2.543(5) ‐ 2.567(4) S3 1x 2.233(2) ‐ 2.242(2)<br />
Cu3 1x 2.640(6) ‐ 2.642(5) Te2 1x 3.125(1) ‐ 3.134(2)<br />
Q1 3x 2.652(2) ‐ 2.653(2)<br />
Q4 1x 2.202(4) ‐ 2.223(4) Cu3 Cu1 6x 2.810(2) ‐ 2.819(2)<br />
Q1 3x 2.801(2) ‐ 2.814(2)<br />
Te2 1x 2.598(3) ‐ 2.610(4)<br />
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