ICSD_# ION_# Bond 1 Bond 2 Bond 3 Bond 4 Bond 5 Bond 6 Bond 7 Bond 8 Bond 9 Bond 10 Bond 11 Bond 12 Bond 13 Bond 14 Bond 15 Bond 16 Bond 17 Bond 18 95831 1 2.676 2.792 2.978 3.22 2 2.75 2.833 3.013 3.064 3 2.654 2.699 3.064 3.28 4 2.724 2.832 3.109 3.304 6 2.872 2.971 2.99 3.237 7 2.824 2.87 2.93 3.113 8 2.83 2.913 2.924 2.954 9 2.856 2.89 2.992 3.144 10 2.841 2.939 2.986 3.038 11 2.863 2.912 2.935 3.36 12 2.881 2.901 3.013 3.198 174319 1 2.875 2.875 2.875 2.875 245999 1 2.74 2.832 2.883 2.946 2.965 2 2.814 2.822 2.932 2.95 2.976 414542 2 2.745 2.786 2.787 2.888 2.897 1270 1 2.836 2.836 2.836 2.836 2.836 2.836 24816 1 3.043 3.043 3.043 3.043 3.043 3.043 2 3.069 3.069 3.069 3.069 3.069 3.069 33868 1 2.962 3.107 3.107 3.119 3.119 3.158 2 2.901 2.901 2.905 2.905 2.973 2.973 39293 1 2.977 2.977 2.977 2.977 2.977 2.977 65170 1 2.897 2.927 2.927 3.247 3.247 3.488 78975 2 2.801 2.833 2.859 3.014 3.165 3.335 85405 2 2.789 2.811 2.853 2.876 2.949 3.188 174319 2 2.82 2.82 3.131 3.131 3.246 3.246 200854 2 2.754 2.754 2.759 2.759 3.164 3.164 240333 2 2.862 2.872 2.912 3.04 3.093 3.31 250131 1 2.86 2.86 2.932 2.932 3.063 3.063 407208 1 2.851 2.851 2.944 2.944 3.028 3.028 40217 1 2.96 2.98 3.012 3.108 3.147 3.18 3.457 59702 3 2.758 2.815 2.907 2.996 3.033 3.045 3.149 59826 1 2.908 2.908 2.911 2.911 2.997 2.997 3.015 72983 4 2.946 2.946 2.947 2.947 2.987 2.987 3.036 78842 1 2.859 2.979 3.039 3.04 3.04 3.363 3.363 2 2.836 2.904 2.986 2.986 3.004 3.029 3.029 98351 2 2.841 2.876 2.935 3.055 3.117 3.131 3.373 174319 3 2.766 3.033 3.033 3.288 3.288 3.543 3.543 240333 1 2.691 2.758 2.868 2.94 2.947 3.067 3.169 3 2.714 2.806 2.896 2.976 3.137 3.25 3.458 4 2.707 2.89 2.954 2.983 2.992 3.227 3.628 249126 2 2.816 2.816 2.843 2.843 2.853 2.853 2.871 402045 3 2.83 2.845 2.943 3.009 3.019 3.154 3.174 411664 1 2.806 2.821 2.824 2.897 2.949 2.977 3.507 3 2.883 2.906 2.941 2.97 3.091 3.293 3.395 412329 2 2.867 2.867 2.91 2.91 2.982 3.027 3.027 4 2.85 2.85 2.876 2.876 3.011 3.021 3.021 414046 2 2.772 2.828 2.897 3.007 3.011 3.042 3.117 416328 1 2.862 2.867 2.896 2.953 2.977 3.092 3.518 2 2.777 2.794 2.874 2.889 2.915 3.274 3.384 32538 1 2.806 2.846 2.953 3.01 3.067 3.111 3.221 3.429 36595 1 2.776 2.834 2.897 2.957 3.048 3.174 3.443 3.507 36644 2 2.871 2.99 3.038 3.038 3.102 3.102 3.201 3.201 39447 1 2.807 2.82 2.842 2.868 3.024 3.155 3.155 3.365 54023 2 2.816 2.965 3.058 3.084 3.102 3.128 3.143 3.42 56812 1 2.872 2.901 3.054 3.095 3.126 3.149 3.162 3.211 59700 2 2.837 2.837 2.839 2.839 3.036 3.036 3.112 3.112 59701 1 2.892 2.952 3.029 3.037 3.051 3.059 3.063 3.182 59701 6 2.784 2.885 2.887 2.956 2.965 3.05 3.414 3.462 59702 1 2.734 2.789 2.934 3.037 3.093 3.125 3.281 3.324 67954 2 2.846 2.932 2.987 3.079 3.102 3.119 3.143 3.186 72314 1 2.864 2.864 3.052 3.052 3.094 3.094 3.125 3.125 72315 1 2.826 2.826 2.974 2.974 3.052 3.052 3.112 3.112 74865 1 2.963 2.963 2.963 2.963 2.963 2.963 2.963 2.963 74866 1 2.951 2.951 2.962 2.962 3.022 3.022 3.073 3.073 77360 1 2.86 2.878 2.879 2.961 2.969 3.046 3.172 3.183 78975 1 2.839 2.899 2.923 2.943 2.956 3.269 3.574 3.659 84741 1 2.827 2.852 2.938 3.029 3.092 3.132 3.183 3.231 84976 1 2.656 2.92 2.92 2.979 2.979 2.993 2.993 3.099 85405 1 2.827 2.987 3.024 3.027 3.052 3.174 3.175 3.535 86789 1 2.819 2.867 2.903 2.999 3.054 3.172 3.221 3.285 88892 2 2.763 2.788 2.87 2.887 2.935 2.969 3.057 3.117 89510 1 2.915 2.915 2.915 2.915 2.981 2.981 2.981 2.981 93879 1 2.843 2.907 3.014 3.103 3.143 3.165 3.167 3.175 2 2.863 2.946 2.95 3.037 3.052 3.059 3.109 3.199 3 2.903 2.964 3.012 3.012 3.035 3.084 3.202 3.262 4 2.853 2.853 2.992 2.992 3.051 3.051 3.263 3.263 5 2.858 2.858 3.127 3.127 3.148 3.148 3.259 3.259 96479 2 2.809 2.825 2.833 2.905 2.975 2.987 3.092 3.5 3 2.839 2.877 2.878 2.884 2.95 3.142 3.224 3.392 96480 1 2.713 2.771 2.797 2.798 2.836 2.907 3.037 3.517 3 2.784 2.784 2.795 2.795 2.81 2.81 3.357 3.357 5 2.77 2.839 2.845 2.876 2.907 2.973 3.347 3.376 6 2.785 2.828 2.864 2.927 3.074 3.081 3.443 3.711 97878 3 2.824 2.894 2.911 2.992 3.02 3.319 3.496 3.661 4 2.738 2.846 2.902 2.955 2.981 3.146 3.2 3.283 170957 3 2.856 2.895 2.908 2.912 3.024 3.038 3.043 3.044 171465 1 2.774 2.793 2.81 2.829 2.861 2.911 3.419 3.568 171466 1 2.746 2.747 2.765 2.778 2.871 2.878 3.355 3.501 200515 1 2.953 2.953 2.953 2.953 3.044 3.044 3.044 3.044 200516 1 2.958 2.958 2.958 2.958 3.036 3.036 3.036 3.036 200854 1 2.768 2.768 2.976 2.976 3.323 3.323 3.66 3.66 3 2.823 2.841 2.898 2.974 3.054 3.06 3.253 3.254 201378 1 2.954 2.954 2.954 2.954 3.049 3.049 3.049 3.049 245191 1 2.74 2.747 2.849 3.007 3.08 3.111 3.143 3.397 245191 1 2.74 2.747 2.849 3.007 3.08 3.111 3.143 3.397 5 2.767 2.786 2.999 3.058 3.197 3.201 3.217 3.312 245193 1 2.844 2.892 2.982 3.046 3.072 3.085 3.108 3.158 245193 4 2.72 2.85 2.875 2.972 3.032 3.09 3.521 3.557 10 2.769 2.878 2.919 2.928 3.021 3.029 3.577 3.587 249126 1 2.888 2.888 2.995 2.995 3.013 3.013 3.175 3.175 249168 1 3.137 3.137 3.137 3.137 3.137 3.137 3.137 3.137 280977 1 2.808 2.946 2.968 3.049 3.057 3.105 3.126 3.402 281565 1 2.991 2.991 2.991 2.991 3.043 3.043 3.043 3.043 409592 1 2.948 2.949 2.974 3.065 3.072 3.112 3.209 3.23 411683 3 2.871 2.871 2.901 2.901 2.98 2.98 3.089 3.089 411853 4 2.864 2.928 2.986 3.038 3.149 3.228 3.315 3.351 414046 3 2.741 2.855 2.9 2.976 2.984 3.166 3.194 3.29 5 2.843 2.9 2.908 2.996 3.033 3.323 3.49 3.662 414542 5 2.834 2.864 2.98 3.025 3.116 3.157 3.352 3.438 30965 2 2.967 2.975 2.993 3.033 3.055 3.058 3.073 3.269 3.338 30987 1 2.927 2.98 2.991 3.098 3.163 3.17 3.261 3.289 3.442 2 2.936 2.968 3.008 3.107 3.148 3.192 3.261 3.285 3.468 36595 2 2.794 2.875 2.927 2.971 3.112 3.187 3.218 3.354 3.839 39403 1 2.962 2.962 2.962 3.118 3.118 3.118 3.129 3.129 3.129 39586 2 2.713 2.724 2.931 2.937 2.955 3.154 3.235 3.363 3.411 39713 1 2.745 2.778 2.785 2.842 3.009 3.042 3.18 3.232 3.404 2 2.745 2.798 2.875 3.004 3.068 3.111 3.116 3.126 3.144 59388 1 2.876 2.905 2.906 2.941 2.972 3.038 3.122 3.137 3.213 59700 3 2.889 2.912 2.924 2.977 2.983 3.201 3.22 3.351 3.583 59702 4 2.793 2.893 2.909 2.988 3.01 3.178 3.182 3.413 3.616 60929 2 2.862 2.862 2.896 2.908 2.96 2.96 3.136 3.365 3.365 62975 1 2.835 2.865 2.974 2.983 3.072 3.149 3.152 3.338 3.526 65003 1 2.936 2.936 2.977 3.002 3.002 3.035 3.035 3.04 3.04 67954 3 2.881 2.972 3.019 3.092 3.104 3.179 3.213 3.217 3.219 67955 2 2.881 2.897 2.937 3.032 3.121 3.166 3.173 3.211 3.297 68508 1 2.833 2.912 2.948 2.953 2.968 3.074 3.087 3.177 3.554 68508 4 2.838 2.88 2.942 2.962 2.999 3.059 3.093 3.274 3.513 71907 1 2.765 2.81 2.812 2.934 3.018 3.145 3.298 3.307 3.39 2 2.753 2.885 2.91 3.003 3.113 3.146 3.184 3.192 3.196 71933 2 2.751 2.804 2.94 2.959 2.969 3.053 3.234 3.317 3.318 75388 2 2.857 2.966 2.968 2.97 3.091 3.125 3.244 3.262 3.38 75598 1 2.758 2.94 2.962 3.033 3.066 3.186 3.224 3.228 3.238 84186 2 2.912 2.944 2.957 3.003 3.093 3.15 3.156 3.176 3.23 3 2.919 2.971 3.037 3.062 3.113 3.137 3.214 3.276 3.361 84976 2 2.858 3.027 3.046 3.046 3.158 3.25 3.25 3.713 3.713 85093 3 2.761 2.796 2.826 2.837 2.953 3.007 3.042 3.135 3.338 93034 1 2.97 2.97 2.989 2.989 2.989 3.07 3.089 3.308 3.308 93149 1 2.885 2.94 3.08 3.108 3.122 3.135 3.194 3.216 3.247 93602 1 2.712 2.864 2.874 2.883 2.886 3.174 3.262 3.312 3.345 95983 1 2.877 2.956 2.976 2.989 3.014 3.138 3.183 3.596 3.661 96442 1 2.812 2.886 2.926 2.944 2.947 2.972 3.08 3.177 3.21 2 2.882 2.913 2.935 3.025 3.244 3.394 3.511 3.573 3.695 3 2.86 2.878 2.907 3.024 3.038 3.226 3.231 3.245 3.714 96480 7 2.848 2.89 3.088 3.143 3.233 3.352 3.354 3.367 3.526 97878 1 2.789 2.824 2.876 2.98 3.016 3.04 3.11 3.664 3.736 5 2.667 2.946 2.993 3.015 3.031 3.097 3.305 3.391 3.472 6 2.811 2.812 2.827 2.927 2.964 3.204 3.23 3.452 3.657 98747 1 2.877 2.925 2.96 2.996 3.003 3.04 3.04 3.117 3.162 100579 2 2.882 2.927 2.947 2.968 3.001 3.104 3.12 3.273 3.586 109751 1 2.798 2.877 2.931 2.977 3.013 3.036 3.068 3.074 3.146 150856 1 2.829 2.911 2.918 2.972 2.981 2.999 3.108 3.19 3.582 2 2.846 2.904 2.934 2.976 2.998 3.033 3.091 3.245 3.521 152760 1 2.924 2.945 2.981 2.99 3.002 3.003 3.117 3.166 3.2 154324 1 2.856 2.869 2.943 2.96 3.012 3.019 3.032 3.109 3.267 154360 1 3.032 3.032 3.032 3.032 3.032 3.032 3.065 3.065 3.065 170771 1 2.923 2.966 2.97 2.989 2.989 3.056 3.056 3.594 3.594 170957 2 2.952 2.953 3.021 3.024 3.109 3.17 3.292 3.353 3.519 171466 3 2.752 2.892 2.895 2.908 2.937 2.983 3.509 3.741 3.76 4 2.818 2.831 2.839 2.965 3.006 3.1 3.259 3.611 3.821 172323 1 2.876 2.928 2.944 3.054 3.059 3.073 3.223 3.275 3.421 200669 1 2.911 2.981 2.983 3.027 3.076 3.085 3.086 3.156 3.2 203091 2 2.78 2.948 2.998 3.031 3.041 3.141 3.169 3.198 3.241 203159 2 2.882 2.884 2.884 2.953 2.955 2.955 3.051 3.243 3.243 240333 5 2.811 3.019 3.062 3.142 3.212 3.271 3.524 3.742 3.802 245191 3 2.915 3.007 3.076 3.103 3.124 3.143 3.255 3.292 3.353 245193 5 2.814 2.95 3.092 3.145 3.157 3.261 3.284 3.293 3.349 250080 1 2.874 2.874 2.874 2.991 2.991 2.991 3.218 3.218 3.218 2 2.917 2.917 2.917 2.936 2.936 2.936 3.213 3.213 3.213 250244 1 2.822 2.822 2.822 3.095 3.095 3.095 3.331 3.331 3.331 2 3.061 3.061 3.061 3.07 3.07 3.07 3.241 3.241 3.241 250274 1 2.798 2.84 2.866 3.006 3.065 3.089 3.092 3.096 3.128 250391 1 2.908 2.908 2.908 2.969 2.969 2.969 3.245 3.245 3.245 280457 2 2.865 2.889 2.889 2.924 2.924 2.936 3.049 3.26 3.26 281379 1 2.74 2.773 2.79 2.841 2.999 3.037 3.171 3.22 3.401 2 2.75 2.791 2.863 2.999 3.043 3.107 3.11 3.119 3.127 409491 1 2.864 2.939 2.996 3.011 3.131 3.161 3.248 3.266 3.507 409719 1 2.881 2.946 2.972 3.027 3.185 3.21 3.263 3.363 3.602 411683 1 2.938 2.94 2.943 2.991 3.026 3.063 3.12 3.362 3.368 411853 2 2.887 2.9 2.957 2.972 2.984 3.075 3.233 3.431 3.487 413000 2 2.907 2.907 2.933 3.17 3.17 3.225 3.225 3.261 3.261 414046 6 2.682 2.935 3.014 3.018 3.035 3.102 3.31 3.393 3.482 417072 1 2.778 2.89 2.899 2.999 3.002 3.123 3.208 3.245 3.273 417985 1 2.752 2.799 2.871 3.001 3.061 3.108 3.113 3.119 3.144 2 2.747 2.779 2.79 2.847 3.014 3.033 3.165 3.218 3.405 20937 1 2.967 2.967 3.037 3.037 3.069 3.069 3.08 3.08 3.09 3.09 35405 1 3.082 3.082 3.082 3.082 3.221 3.221 3.424 3.424 3.424 3.424 36327 1 2.9 2.97 3.014 3.05 3.054 3.086 3.098 3.119 3.14 3.215 36644 1 2.856 2.983 3.01 3.01 3.06 3.06 3.476 3.476 3.541 3.541 39218 1 2.879 2.895 2.901 3.018 3.039 3.073 3.074 3.119 3.186 3.339 39447 3 2.866 2.869 2.968 2.978 3.048 3.127 3.327 3.467 3.709 3.734 39472 1 2.945 3.035 3.041 3.048 3.057 3.088 3.114 3.182 3.215 3.477 39586 1 2.731 2.753 2.757 2.894 3.203 3.254 3.263 3.484 3.626 3.74 39739 1 2.776 2.776 2.776 2.776 3.098 3.098 3.099 3.099 3.137 3.137 39856 1 2.828 2.88 2.958 3.01 3.013 3.037 3.137 3.175 3.247 3.266 41355 2 2.784 2.838 2.952 2.97 3.028 3.233 3.268 3.278 3.405 3.623 47115 1 2.928 2.928 2.984 2.984 3.043 3.043 3.444 3.444 3.542 3.614 48213 1 2.848 2.88 2.911 2.958 2.995 3.056 3.174 3.256 3.374 3.512 51072 1 2.765 2.777 2.935 2.949 3.183 3.307 3.324 3.489 3.531 3.56 54023 1 2.866 2.866 2.927 2.927 2.95 2.95 3.277 3.277 3.848 3.848 54023 3 2.865 2.865 2.885 2.885 3.28 3.28 3.68 3.68 3.684 3.684 54098 1 3.001 3.001 3.197 3.197 3.197 3.197 3.206 3.206 3.206 3.206 59700 1 2.922 2.922 2.941 2.941 3.109 3.109 3.141 3.141 3.344 3.344 59700 4 2.786 2.947 2.959 3.011 3.029 3.23 3.238 3.465 3.648 3.818 59701 4 2.806 2.933 3.057 3.06 3.082 3.257 3.261 3.275 3.403 3.629 95703 1 2.922 2.946 3.042 3.092 3.122 3.31 3.325 3.376 3.54 3.713 60050 2 2.942 2.997 2.997 3.024 3.045 3.047 3.107 3.108 3.109 3.516 60050 1 2.831 2.831 2.963 2.963 3.003 3.003 3.209 3.209 3.229 3.229 60768 1 3.103 3.103 3.103 3.103 3.157 3.157 3.457 3.457 3.457 3.457 62280 1 2.836 2.836 3.006 3.006 3.031 3.031 3.255 3.255 3.292 3.292 2 2.899 2.943 3.069 3.081 3.098 3.106 3.153 3.163 3.216 3.421 62492 1 2.843 2.963 3.016 3.025 3.044 3.051 3.15 3.188 3.206 3.365 63101 2 2.911 2.911 3.007 3.007 3.077 3.231 3.233 3.348 3.441 3.441 63119 1 2.793 2.893 2.893 3.091 3.091 3.191 3.191 3.273 3.425 3.425 65003 3 2.905 2.913 2.913 2.991 3.001 3.05 3.118 3.17 3.485 3.493 67955 1 2.843 2.9 2.92 2.925 2.926 3.202 3.265 3.441 3.707 3.739 69545 1 2.941 2.959 2.975 3.11 3.137 3.138 3.157 3.535 3.778 3.823 71296 2 2.849 2.937 2.947 2.947 2.984 2.984 2.999 3.095 3.209 3.209 71778 2 2.821 2.86 2.882 3.045 3.076 3.082 3.177 3.235 3.558 3.6 71933 1 2.729 2.762 2.762 2.895 3.101 3.175 3.271 3.426 3.625 3.753 72534 1 2.853 2.874 3.102 3.12 3.129 3.165 3.212 3.227 3.28 3.335 2 2.906 2.939 2.961 3 3.023 3.166 3.216 3.371 3.383 3.48 3 2.921 2.929 2.98 2.995 3.029 3.159 3.246 3.356 3.389 3.48 73209 1 75388 1 2.79 2.873 2.927 3.116 3.116 3.148 3.188 3.199 3.503 3.55 79378 1 2.844 2.9 2.983 2.983 2.996 2.996 3.263 3.263 3.583 3.583 82757 1 2.876 2.948 2.975 3.028 3.182 3.213 3.265 3.357 3.6 3.843 85093 1 2.757 2.798 2.842 2.866 2.9 3.026 3.273 3.284 3.472 3.578 86308 1 2.946 2.946 3.003 3.003 3.014 3.014 3.083 3.083 3.306 3.306 86893 1 2.825 2.874 2.915 3.004 3.051 3.097 3.128 3.277 3.465 3.586 92905 1 2.807 2.825 2.918 2.954 2.96 3.023 3.069 3.139 3.235 3.352 93034 3 2.786 2.918 2.931 2.931 2.978 2.978 2.992 3.194 3.296 3.296 95483 1 2.766 3.006 3.006 3.017 3.017 3.088 3.088 3.558 3.644 3.644 95707 3 3.012 3.017 3.061 3.184 3.252 3.275 3.303 3.345 3.396 3.437 96447 3 2.88 2.899 2.94 3.084 3.161 3.177 3.248 3.386 3.757 3.886 96479 1 2.799 2.813 2.866 2.922 2.924 2.954 3.547 3.681 3.748 3.811 96480 2 2.789 2.824 2.832 2.861 2.889 2.893 3.547 3.749 3.752 3.773 96747 1 2.826 2.863 2.928 3.049 3.064 3.232 3.277 3.3 3.602 3.761 99707 1 2.756 2.951 2.965 3.016 3.06 3.142 3.161 3.234 3.481 3.521 99803 1 2.923 2.972 3.033 3.069 3.072 3.074 3.086 3.096 3.133 3.248 100579 1 2.929 2.929 3.089 3.089 3.153 3.153 3.278 3.278 3.386 3.386 100713 1 2.905 2.915 2.934 2.977 2.998 3.018 3.097 3.124 3.152 3.194 109987 1 2.844 2.898 2.942 2.954 2.959 2.996 3.044 3.269 3.387 3.407 150856 3 2.832 2.877 3.001 3.063 3.091 3.121 3.156 3.158 3.565 3.611 152169 2 2.829 2.905 3.037 3.062 3.063 3.078 3.079 3.124 3.192 3.457 153954 1 2.867 2.914 2.995 3.007 3.039 3.047 3.096 3.274 3.364 3.591 154324 2 2.878 2.882 2.882 2.897 2.95 3.027 3.107 3.377 3.478 3.726 155671 2 2.862 2.878 3.037 3.05 3.101 3.104 3.123 3.202 3.445 3.693 170134 1 2.848 2.904 2.916 3.012 3.126 3.156 3.228 3.255 3.441 3.571 3 2.85 2.858 2.881 2.936 3.103 3.202 3.235 3.269 3.529 3.583 170771 2 2.805 3.041 3.041 3.044 3.345 3.345 3.402 3.402 3.462 3.462 171249 1 2.909 2.986 2.995 3.051 3.085 3.115 3.127 3.153 3.154 3.172 171466 2 2.757 2.766 2.884 2.903 2.955 3.055 3.61 3.663 3.791 3.89 200439 2 2.911 3.054 3.054 3.055 3.055 3.116 3.116 3.124 3.173 3.173 3 2.941 2.974 3.045 3.045 3.049 3.049 3.136 3.136 3.213 3.213 200737 1 2.82 2.82 2.871 2.871 2.905 2.905 3.162 3.162 3.162 3.162 240261 1 2.871 2.886 2.924 3.034 3.099 3.152 3.24 3.257 3.371 3.396 240494 1 2.916 2.929 2.957 2.989 3.003 3.032 3.089 3.162 3.495 3.503 245191 2 2.903 2.987 2.987 3.021 3.036 3.124 3.265 3.282 3.39 3.751 245193 2 2.834 2.908 3.058 3.061 3.085 3.097 3.22 3.413 3.442 3.636 3 2.825 2.86 3.068 3.133 3.164 3.172 3.2 3.274 3.297 3.648 9 2.949 2.959 3.048 3.093 3.12 3.121 3.134 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