Table 3 · Iturbe‐Zabalo et al. 2013
status published · visibility public · id tbl:10.1107-s0021889813013253.3
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Document
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Iturbe‐Zabalo et al. 2013
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Table
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3
|
(a) All modes † |
(b) All modes † |
(c) 3 modes \ddagger |
| M \mathrm{O}_{6} octahedra |
|
|
|
| V\left(M \mathrm{O}_{6}\right) |
11.467 (2) |
10.42 (6) |
10.89 (5) |
| M-\mathrm{O} 1(\times 2) |
2.048 (6) |
1.99 (4) |
2.011 (9) |
| M-\mathrm{O} 2(\times 2) |
2.069 (6) |
2.00 (4) |
2.013 (9) |
| M-\mathrm{O} 3(\times 2) |
2.034 (9) |
1.97 (6) |
2.018 (1) |
| Average distance |
2.050 (9) |
1.99 (6) |
2.014 (3) |
| Predicted distance |
2.1105 |
2.0995 |
2.0995 |
| \mathrm{RuO}_{6} octahedra |
|
|
|
| V\left(\mathrm{RuO}_{6}\right) |
10.195 (3) |
10.51 (5) |
10.18 (4) |
| \mathrm{Ru}-\mathrm{O} 1(\times 2) |
1.954 (6) |
2.00 (4) |
1.968 (9) |
| \mathrm{Ru}-\mathrm{O} 2(\times 2) |
1.972 (6) |
1.95 (4) |
1.967 (9) |
| \mathrm{Ru}-\mathrm{O} 3(\times 2) |
1.985 (9) |
2.04 (6) |
1.974 (1) |
| Average distance |
1.971 (9) |
2.00 (6) |
1.969 (3) |
| Predicted distance |
1.9675 |
1.9675 |
1.9675 |
| \mathrm{O} 1-M-\mathrm{O} 2 |
93.8 (2) |
84.1 (5) |
91.1 (6) |
| \mathrm{O} 1-M-\mathrm{O} 3 |
91.0 (2) |
91.0 (5) |
89.5 (4) |
| \mathrm{O} 2-M-\mathrm{O} 3 |
90.3 (2) |
87.1 (5) |
89.5 (4) |
| \mathrm{O} 1-\mathrm{Ru}-\mathrm{O} 2 |
88.3 (2) |
97.4 (5) |
91.1 (6) |
| \mathrm{O} 1-\mathrm{Ru}-\mathrm{O} 3 |
91.0 (2) |
92.3 (5) |
90.6 (4) |
| \mathrm{O} 2-\mathrm{Ru}-\mathrm{O} 3 |
91.2 (2) |
87.0 (5) |
90.5 (4) |
| M-\mathrm{O} 1-\mathrm{Ru} |
162.8 (2) |
160.1 (6) |
163.8 (4) |
| M-\mathrm{O} 2-\mathrm{Ru} |
156.6 (2) |
170.1 (7) |
163.8 (4) |
| M-\mathrm{O} 3-\mathrm{Ru} |
158.5 (1) |
158.1 (4) |
160.8 (1) |
| Bond valence sum |
|
|
|
| M |
2.36 (2) |
2.7 (1) |
2.5 (2) |
| Ru |
4.96 (4) |
4.6 (2) |
4.9 (4) |
Evidence