Bond distances in the bequerelite crystal structure (in Å).
| Bond | Exp.48 | Exp.50 | Calc. | Bond | Exp.48 | Exp.50 | Calc. |
|---|---|---|---|---|---|---|---|
| U1 | U4 | ||||||
| U1–O2 | 1.81(4) | 1.77(1) | 1.819 | U4–O8 | 1.77(3) | 1.792(9) | 1.789 |
| U–O1 | 1.91(4) | 1.80(1) | 1.835 | U4–O7 | 1.83(3) | 1.799(9) | 1.816 |
| U(1)–O13 | 2.20(6) | 2.23(1) | 2.213 | U4–O16 | 2.20(8) | 2.21(1) | 2.247 |
| U(1)–O14 | 2.31(7) | 2.23(1) | 2.229 | U4–O14 | 2.33(8) | 2.24(1) | 2.255 |
| U(1)–OH3 | 2.29(8) | 2.39(1) | 2.411 | U4–OH6 | 2.35(10) | 2.37(1) | 2.402 |
| U(1)–OH2 | 2.38(9) | 2.51(2) | 2.463 | U4–OH3 | 2.45(10) | 2.46(1) | 2.406 |
| U(1)–OH1 | 2.53(8) | 2.64(1) | 2.623 | U4–OH2 | 2.61(4) | 2.602(8) | 2.772 |
| Aver. U–Oeq. | 2.34 | 2.40 | 2.388 | Aver. U–Oeq. | 2.39 | 2.38 | 2.416 |
| U2 | U5 | ||||||
| U2–O4 | 1.80(3) | 1.786(9) | 1.803 | U5–O10 | 1.71(5) | 1.78(1) | 1.801 |
| U2–O3 | 1.86(4) | 1.79(1) | 1.825 | U5–O9 | 1.79(4) | 1.79(1) | 1.832 |
| U2–O15 | 2.28(6) | 2.23(1) | 2.250 | U5–O14 | 2.14(8) | 2.23(1) | 2.233 |
| U2–O13 | 2.39(7) | 2.24(1) | 2.262 | U5–O13 | 2.29(5) | 2.25(1) | 2.234 |
| U2–OH5 | 2.42(8) | 2.41(1) | 2.417 | U5–OH4 | 2.45(14) | 2.40(2) | 2.390 |
| U2–OH1 | 2.47(8) | 2.43(1) | 2.428 | U5–OH1 | 2.47(7) | 2.43(1) | 2.405 |
| U2–OH4 | 2.70(4) | 2.64(1) | 2.667 | U5–OH3 | 2.58(10) | 2.66(1) | 2.751 |
| Aver. U–Oeq. | 2.45 | 2.39 | 2.405 | Aver. U–Oeq. | 2.45 | 2.39 | 2.403 |
| U3 | U6 | ||||||
| U3–O6 | 1.74(4) | 1.79(1) | 1.798 | U6–O11 | 1.83(5) | 1.79(1) | 1.817 |
| U3–O5 | 1.77(4) | 1.82(1) | 1.831 | U6–O12 | 1.86(4) | 1.82(1) | 1.833 |
| U3–O16 | 2.06(6) | 2.23(1) | 2.218 | U6–O15 | 2.21(8) | 2.23(1) | 2.226 |
| U3–O15 | 2.20(6) | 2.23(1) | 2.266 | U6–O16 | 2.23(6) | 2.25(1) | 2.243 |
| U3–OH6 | 2.42(9) | 2.39(1) | 2.405 | U6–OH5 | 2.32(7) | 2.40(1) | 2.373 |
| U3–OH2 | 2.58(8) | 2.41(2) | 2.447 | U6–OH4 | 2.32(14) | 2.41(2) | 2.399 |
| U3–OH5 | 2.61(8) | 2.61(1) | 2.612 | U6–OH6 | 2.82(11) | 2.80(1) | 2.642 |
| Aver. U–Oeq. | 2.37 | 2.40 | 2.390 | Aver. U–Oeq. | 2.38 | 2.42 | 2.403 |
| Ca | |||||||
| Ca–OW3 | 2.41(11) | 2.36(2) | 2.301 | Ca–OW2 | 2.42(7) | 2.45(1) | 2.480 |
| Ca–O12 | 2.33(5) | 2.37(1) | 2.358 | Ca–OW1 | 2.51(7) | 2.47(1) | 2.519 |
| Ca–O1 | 2.45(4) | 2.44(1) | 2.423 | Ca–OW4 | 2.62(7) | 2.58(1) | 2.529 |
| Ca–O5 | 2.45(5) | 2.45(1) | 2.480 | Aver. Ca–O | 2.45 | 2.45 | 2.441 |