COL ICSD Collection Code 35178 DATE Recorded Dec 31, 1982 NAME Uranyl deuteriumarsenate tetrakis(dideuteriohydrate) FORM U O2 D As O4 (D2 O)4 = D9 As O10 U TITL The Structure of UO2DAsO4 * 4D2O at 4K by Powder Neutron Diffraction REF Acta Crystallographica B (24,1968-38,1982) ACBCA 38 (1982) 2546-2554 AUT Fitch A N, Wright˙A˙F, Fender˙B˙E˙F CELL a=7.164 b=7.112 c=17.554 à=90.2 á=89.9 ç=90.0 V=894.5 Z=4 SGR P -1 (2) - triclinic CLAS -1 (Hermann-Mauguin) - Ci (Schoenflies) PRS aP84 ANX ABX10 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- U 1 6.000 2i 0.742 0.75 0.4466 U 2 6.000 2i 0.256 0.25 0.0549 As 1 5.000 2i 0.752 0.25 0.5004 As 2 5.000 2i 0.756 0.255 0.0029 O 1 -2.000 2i 0.746 0.751 0.3451 O 2 -2.000 2i 0.251 0.249 0.1562 O 3 -2.000 2i 0.259 0.252 0.451 O 4 -2.000 2i 0.757 0.743 0.0463 O 5 -2.000 2i 0.072 0.795 0.4399 O 6 -2.000 2i 0.557 0.196 0.0543 O 7 -2.000 2i 0.426 0.691 0.4387 O 8 -2.000 2i 0.93 0.3 0.0604 O 9 -2.000 2i 0.791 0.424 0.4391 O 10 -2.000 2i 0.298 0.564 0.0515 O 11 -2.000 2i 0.694 0.063 0.4429 O 12 -2.000 2i 0.191 0.93 0.0528 O 13 -2.000 2i 0.142 0.994 0.3116 O 14 -2.000 2i 0.629 0.995 0.1881 O 15 -2.000 2i 0.354 0.496 0.3096 O 16 -2.000 2i 0.843 0.492 0.1894 O 17 -2.000 2i 0.893 0.296 0.297 O 18 -2.000 2i 0.423 0.697 0.1989 O 19 -2.000 2i 0.484 0.166 0.3106 O 20 -2.000 2i 0.994 0.834 0.1872 D 1 1.000 2i 0.272 0.051 0.3116 D 2 1.000 2i 0.761 0.955 0.1874 D 3 1.000 2i 0.415 0.373 0.3118 D 4 1.000 2i 0.906 0.623 0.1901 D 5 1.000 2i 0.996 0.202 0.3044 D 6 1.000 2i 0.505 0.807 0.1951 D 7 1.000 2i 0.122 0.922 0.3558 D 8 1.000 2i 0.617 0.051 0.1399 D 9 1.000 2i 0.38 0.565 0.3576 D 10 1.000 2i 0.879 0.428 0.1395 D 11 1.000 2i 0.885 0.342 0.3517 D 12 1.000 2i 0.379 0.643 0.1504 D 13 1.000 2i 0.565 0.135 0.3568 D 14 1.000 2i 0.06 0.855 0.1395 D 15 1.000 2i 0.389 0.578 0.265 D 16 1.000 2i 0.881 0.395 0.2418 D 17 1.000 2i 0.565 0.111 0.2665 D 18 1.000 2i 0.056 0.876 0.2294 WYCK i24 ITF U 1 B=0.07(4) ITF U 2 B=0.07(4) ITF As 1 B=0.21(4) ITF As 2 B=0.21(4) ITF O 1 B=0.35(4) ITF O 2 B=0.35(4) ITF O 3 B=0.13(4) ITF O 4 B=0.13(4) ITF O 5 B=0.17(4) ITF O 6 B=0.17(4) ITF O 7 B=0.17(4) ITF O 8 B=0.17(4) ITF O 9 B=0.17(4) ITF O 10 B=0.17(4) ITF O 11 B=0.17(4) ITF O 12 B=0.17(4) ITF O 13 B=0.72(4) ITF O 14 B=0.72(4) ITF O 15 B=0.72(4) ITF O 16 B=0.72(4) ITF O 17 B=0.72(4) ITF O 18 B=0.72(4) ITF O 19 B=0.72(4) ITF O 20 B=0.72(4) ITF D 1 B=1.45(4) ITF D 2 B=1.45(4) ITF D 3 B=1.45(4) ITF D 4 B=1.45(4) ITF D 5 B=1.45(4) ITF D 6 B=1.45(4) ITF D 7 B=1.32(4) ITF D 8 B=1.32(4) ITF D 9 B=1.32(4) ITF D 10 B=1.32(4) ITF D 11 B=1.32(4) ITF D 12 B=1.32(4) ITF D 13 B=1.32(4) ITF D 14 B=1.32(4) ITF D 15 B=1.40(4) ITF D 16 B=1.40(4) ITF D 17 B=1.40(4) ITF D 18 B=1.40(4) REM TEM 4 REM NDP (neutron diffraction from a powder) RVAL 0.030 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 35348 DATE Recorded Dec 31, 1983 NAME Deuteriouranyl arsenate tetrakis(dideuteriohydrate) FORM (D U O2) (As O4) (D2 O)4 = D9 As O10 U TITL The Room-Temperature Structure of D U O2 As O5 * 4D2 O by Powder Neutron Diffraction REF Acta Crystallographica C (39,1983-) ACSCE 39 (1983) 159-162 AUT Fitch A N, Bernard˙L, Howe˙A˙T, Wright˙A˙F, Fender˙B˙E˙F CELL a=7.161 b=7.161 c=17.639 à=90.0 á=90.0 ç=90.0 V=904.7 Z=4 SGR P 4/n c c Z (130) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP84 ANX ABX10 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- U 1 6.000 4c 1/4 1/4 0.0527 As 1 5.000 4b 3/4 1/4 0. O 1 -2.000 4c 1/4 1/4 0.1545 O 2 -2.000 4c 1/4 1/4 -0.0482 O 3 -2.000 16g 0.5681 0.2048 0.0573 O 4 -2.000 16g 0.1476 0.9977 0.3095 D 1 1.000 16g 0.3037 0.0404 0.3112 0.75 D 2 1.000 16g 0.5757 0.1283 0.3556 D 3 1.000 8f 0.4057 -0.4057 1/4 WYCK g2 c3 b ˙ TF Atom B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) U 1 0.6200 0.6200 1.0000 0.0000 0.0000 0.0000 As 1 0.3500 0.3500 1.7000 0.0000 0.0000 0.0000 O 1 1.8600 1.8600 1.4200 0.0000 0.0000 0.0000 O 2 2.0400 2.0400 1.2000 0.0000 0.0000 0.0000 O 3 0.5600 1.4800 2.0700 -0.0200 0.4100 0.4700 O 4 5.4000 9.8000 2.6000 -2.9000 0.8000 2.3000 D 1 15.3000 7.6000 2.7000 5.3000 0.9000 0.9000 D 2 5.7000 3.4000 3.0000 1.2000 -0.2000 0.2000 D 3 6.3000 6.3000 10.0000 1.8000 -3.8000 -3.8000 REM NDP (neutron diffraction from a powder) REM TEM 305 RVAL 0.070 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52)