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. 2018 Jul 10;8(43):24599–24616. doi: 10.1039/c8ra04678f

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