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. 2020 Jun 9;7(Pt 4):581–629. doi: 10.1107/S2052252520005928

Table 3. Mean bond-length statistics for the transition metal ions bonded to O2− .

Ion Coordination number Number of coordination polyhedra Grand mean bond length (Å) Standard deviation (Å) Mean bond-length range (Å) Maximum mean bond length (Å) Minimum mean bond length (Å) Skewness Kurtosis
Sc3+ 6 75 2.098 0.017 0.071 2.133 2.063 0.074 −0.586
7 5 2.163 0.017 0.043 2.188 2.146 0.846 −0.505
8 8 2.234 0.026 0.066 2.273 2.207 0.622 −1.817
Ti3+ 6 21 2.037 0.019 0.081 2.072 1.991 −0.666 1.075
7 2 2.108 0.008 0.012 2.114 2.102 – –
8 1 2.195 – 0.000 2.195 2.195 – –
Ti4+ 4 4 1.821 0.011 0.026 1.836 1.811 1.416 2.442
5 17 1.917 0.014 0.048 1.940 1.892 0.241 −0.518
6 293 1.971 0.017 0.094 2.020 1.926 −0.209 0.118
7 1 2.064 – 0.000 2.064 2.064 – –
V3+ 6 67 2.007 0.017 0.079 2.048 1.968 0.084 −0.235
V4+ 5 95 1.893 0.010 0.066 1.929 1.863 0.411 1.187
6 128 1.980 0.019 0.103 2.023 1.921 −0.323 0.130
V5+ 4 345 1.717 0.010 0.075 1.758 1.682 0.075 1.991
5 65 1.827 0.013 0.073 1.869 1.796 0.569 1.397
6 293 1.924 0.013 0.079 1.976 1.896 1.045 1.486
Cr2+ 4 6 2.004 0.010 0.027 2.024 1.997 2.082 4.523
5 2 2.113 0.004 0.006 2.116 2.110 – –
6 9 2.188 0.020 0.067 2.233 2.165 1.644 3.308
Cr3+ 6 104 1.976 0.014 0.064 2.013 1.949 0.409 −0.583
Cr4+ 4 1 1.784 – 0.000 1.784 1.784 – –
6 6 1.950 0.019 0.052 1.988 1.937 2.130 4.777
Cr5+ 4 1 1.693 – 0.000 1.693 1.693 – –
Cr6+ 4 169 1.652 0.011 0.072 1.696 1.624 0.295 1.051
Mn2+ 4 10 2.046 0.025 0.085 2.085 2.001 −0.040 −0.021
5 24 2.141 0.023 0.096 2.175 2.079 −0.830 1.283
6 318 2.199 0.027 0.172 2.305 2.134 0.434 0.597
7 2 2.352 0.061 0.087 2.395 2.309 – –
8 18 2.321 0.025 0.081 2.356 2.275 −0.415 −0.636
Mn3+ 4 2 1.901 0.003 0.005 1.903 1.898 – –
5 10 1.959 0.017 0.047 1.980 1.933 −0.240 −1.269
6 82 2.031 0.019 0.094 2.086 1.992 0.106 −0.320
Mn4+ 4 1 1.750 – 0.000 1.750 1.750 – –
6 20 1.903 0.012 0.043 1.928 1.885 0.202 −0.364
Mn5+ 4 8 1.698 0.007 0.023 1.706 1.683 −1.095 1.556
Mn6+ 4 2 1.662 0.008 0.015 1.670 1.655 – –
Mn7+ 4 7 1.610 0.007 0.020 1.622 1.603 0.913 0.421
Fe2+ 3 8 1.844 0.018 0.049 1.860 1.811 −1.274 0.568
4 6 1.985 0.021 0.066 2.008 1.942 −1.667 3.509
5 19 2.097 0.027 0.117 2.142 2.024 −1.036 1.866
6 146 2.147 0.028 0.156 2.246 2.090 0.543 0.419
8 5 2.333 0.041 0.087 2.383 2.296 0.519 −2.945
Fe3+ 4 65 1.875 0.016 0.070 1.910 1.840 0.086 −0.642
5 21 1.966 0.015 0.049 1.984 1.935 −0.717 −0.491
6 378 2.015 0.019 0.114 2.091 1.977 1.123 2.171
8 2 2.125 0.008 0.011 2.130 2.119 – –
Co2+ 3 14 1.854 0.017 0.055 1.869 1.814 −1.659 1.756
4 27 1.967 0.017 0.069 1.995 1.926 −0.648 0.341
5 16 2.066 0.026 0.101 2.129 2.027 0.557 0.775
6 243 2.108 0.021 0.121 2.182 2.061 0.678 0.947
8 1 2.272 – 0.000 2.272 2.272 – –
Co3+ 6 15 1.908 0.013 0.049 1.942 1.893 1.575 2.638
Co4+ 6 1 1.874 – 0.000 1.874 1.874 – –
Ni2+ 2 2 1.686 0.001 0.002 1.687 1.685 – –
4 3 1.950 0.047 0.082 1.977 1.895 −1.732 –
5 8 2.028 0.012 0.031 2.044 2.013 0.089 −1.701
6 242 2.070 0.020 0.118 2.148 2.030 0.900 1.669
Ni4+ 6 5 1.870 0.004 0.011 1.875 1.865 0.408 1.817
Cu+ 2 42 1.839 0.022 0.087 1.882 1.794 −0.286 −0.503
3 2 1.969 0.002 0.003 1.971 1.968 – –
4 13 2.084 0.042 0.137 2.171 2.034 0.619 −0.190
Cu2+ 4 129 1.943 0.017 0.085 1.986 1.901 0.285 0.160
5 218 2.037 0.022 0.122 2.106 1.984 0.534 0.244
6 365 2.130 0.030 0.174 2.225 2.051 0.678 0.322
8 4 2.302 0.033 0.069 2.349 2.280 1.689 2.751
Cu3+ 4 11 1.846 0.018 0.055 1.872 1.817 0.070 −1.052
Zn2+ 4 227 1.952 0.016 0.115 2.020 1.905 0.166 1.334
5 36 2.051 0.015 0.073 2.085 2.012 −0.304 0.138
6 193 2.110 0.023 0.144 2.200 2.056 1.050 1.676
Y3+ 6 25 2.264 0.019 0.069 2.291 2.222 −0.208 −0.894
7 35 2.332 0.018 0.065 2.366 2.302 0.002 −0.708
8 99 2.390 0.019 0.096 2.438 2.342 −0.690 0.473
9 15 2.422 0.019 0.071 2.468 2.397 1.140 1.142
10 1 2.496 – 0.000 2.496 2.496 – –
12 1 2.541 – 0.000 2.541 2.541 – –
Zr4+ 6 73 2.078 0.013 0.082 2.129 2.048 1.057 3.431
7 13 2.146 0.012 0.032 2.162 2.129 0.187 −1.758
8 21 2.199 0.006 0.022 2.211 2.189 −0.219 −0.686
9 3 2.263 0.019 0.036 2.278 2.242 −1.132 –
10 7 2.283 0.005 0.011 2.288 2.277 −0.147 −2.054
Nb4+ 6 3 2.054 0.006 0.011 2.061 2.049 1.449 –
Nb5+ 4 2 1.831 0.005 0.007 1.834 1.827 – –
5 4 1.926 0.011 0.025 1.933 1.907 −1.982 3.938
6 240 1.993 0.018 0.102 2.046 1.944 0.137 0.150
7 3 2.069 0.013 0.026 2.082 2.056 −0.217 –
8 1 2.080 – 0.000 2.080 2.080 – –
Mo3+ 6 5 2.095 0.009 0.023 2.109 2.086 1.468 2.769
Mo4+ 6 9 2.003 0.007 0.023 2.016 1.992 0.559 0.323
Mo5+ 5 2 1.916 0.004 0.009 1.920 1.911 – –
6 74 1.992 0.015 0.070 2.026 1.955 −0.034 −0.410
Mo6+ 4 434 1.764 0.009 0.057 1.790 1.732 −0.255 0.861
5 15 1.872 0.016 0.053 1.898 1.845 0.069 −0.882
6 506 1.972 0.015 0.091 2.024 1.933 0.096 −0.282
Tc7+ 4 6 1.705 0.004 0.009 1.711 1.702 0.672 −1.320
Ru3+ 6 3 2.025 0.002 0.003 2.027 2.024 – –
Ru4+ 6 8 1.982 0.011 0.034 1.995 1.961 −0.713 −0.066
Ru5+ 6 23 1.964 0.013 0.044 1.987 1.943 0.241 −1.333
Rh3+ 6 11 2.025 0.021 0.065 2.071 2.006 1.324 0.754
Rh4+ 6 3 2.007 0.011 0.020 2.020 2.000 1.705 –
Pd2+ 4 29 2.011 0.020 0.078 2.060 1.982 0.578 −0.419
Pd4+ 6 2 1.999 0.004 0.005 2.001 1.996 – –
Ag+ 2 5 2.136 0.009 0.043 2.164 2.121 0.862 −1.700
3 15 2.278 0.025 0.083 2.319 2.236 0.003 −0.865
4 37 2.402 0.030 0.125 2.466 2.341 −0.180 −0.607
5 45 2.489 0.036 0.147 2.555 2.408 −0.190 −0.438
6 63 2.537 0.031 0.136 2.594 2.458 −0.292 −0.539
7 9 2.589 0.028 0.084 2.618 2.534 −1.001 0.480
8 13 2.656 0.030 0.113 2.730 2.617 1.199 1.882
9 3 2.704 0.024 0.041 2.731 2.690 1.732 –
Cd2+ 5 4 2.257 0.014 0.034 2.278 2.244 1.291 2.291
6 135 2.302 0.021 0.108 2.368 2.260 0.618 0.035
7 6 2.377 0.047 0.132 2.466 2.334 1.758 3.604
8 18 2.432 0.027 0.086 2.469 2.383 −0.105 −1.040
9 1 2.530 – 0.000 2.530 2.530 – –
Hf4+ 6 11 2.082 0.013 0.035 2.099 2.064 0.085 −1.193
7 4 2.128 0.003 0.006 2.131 2.125 −0.017 −5.552
8 7 2.190 0.004 0.013 2.199 2.186 1.365 2.285
Ta5+ 6 138 1.988 0.018 0.100 2.052 1.951 0.477 0.131
7 14 2.057 0.007 0.023 2.069 2.046 0.459 −0.831
W5+ 6 4 1.956 0.019 0.043 1.976 1.933 −0.225 −2.734
W6+ 4 35 1.773 0.012 0.050 1.797 1.747 −0.172 0.581
5 12 1.859 0.013 0.040 1.879 1.839 0.133 −1.593
6 363 1.951 0.017 0.100 1.995 1.894 −0.455 0.408
Re5+ 6 3 1.940 0.005 0.009 1.945 1.936 1.597 –
Re7+ 4 41 1.716 0.011 0.053 1.740 1.686 −0.443 0.444
5 8 1.810 0.010 0.035 1.827 1.792 −0.155 1.651
6 10 1.882 0.012 0.037 1.906 1.869 0.909 0.092
Os5+ 6 4 1.960 0.004 0.008 1.963 1.954 −1.846 3.508
Os6+ 6 1 1.926 – 0.000 1.926 1.926 – –
Os7+ 5 1 1.825 – 0.000 1.825 1.825 – –
6 3 1.887 0.014 0.034 1.904 1.870 – –
Os8+ 4 1 1.698 – 0.000 1.698 1.698 – –
5 3 1.793 0.020 0.039 1.811 1.772 −0.726 –
6 4 1.885 0.018 0.040 1.902 1.862 −0.798 −0.968
Ir3+ 6 1 2.042 – 0.000 2.042 2.042 – –
Ir4+ 4 5 1.909 0.007 0.017 1.919 1.902 0.448 −0.638
6 12 2.015 0.010 0.034 2.031 1.997 −0.353 −0.043
Ir5+ 6 6 1.990 0.013 0.030 2.001 1.971 −0.928 −1.725
Pt2+ 4 2 2.007 0.011 0.022 2.017 1.995 −1.008 –
Pt4+ 6 33 2.021 0.014 0.057 2.055 1.998 0.345 −0.452
Au3+ 4 24 1.999 0.013 0.040 2.020 1.980 0.161 −1.363
Hg2+ 2 1 1.955 – 0.000 1.955 1.955 – –
4 6 2.316 0.081 0.227 2.403 2.176 −1.116 1.176
5 3 2.380 0.090 0.168 2.445 2.277 −1.565 –
6 25 2.429 0.072 0.242 2.584 2.342 0.532 −0.474
7 9 2.505 0.045 0.140 2.593 2.453 0.723 0.440
8 8 2.502 0.021 0.050 2.530 2.479 0.435 −2.040