Uramarsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061122 Rastsvetaeva R K, Sidorenko G A, Ivanova A G, Chukanov N V Crystallography Reports 53 (2008) 771-774 Structural model of uramarsite Locality: South Kazakhstan _database_code_amcsd 0012412 CELL PARAMETERS: 7.1690 7.1720 9.1460 89.960 90.000 89.990 SPACE GROUP: P1 ATOM X Y Z OCCUPANCY ISO(B) N 0.65400 0.33900 0.73800 1.000 0.400 H 0.67000 0.74700 0.69200 0.720 1.000 N 0.67000 0.74700 0.69200 0.150 0.400 Na 0.67000 0.74700 0.69200 0.090 1.500 U 0.03400 0.06100 0.00200 1.000 1.500 U 0.53500 0.55700 0.19900 1.000 1.500 As 0.53200 0.06000 0.10100 1.000 0.600 P 0.03200 0.55800 0.10300 0.780 0.500 As 0.03200 0.55800 0.10300 0.220 0.600 O 0.53700 0.55400 0.00500 1.000 1.000 O 0.03900 0.74900 -0.00300 1.000 1.000 O 0.71800 0.06100 0.00000 1.000 1.000 O 0.02100 0.37500 0.00300 1.000 1.000 O 0.54100 0.24900 0.20900 1.000 1.000 O 0.03800 0.00000 0.80900 1.000 1.000 O 0.35700 0.06500 -0.00500 1.000 1.000 O 0.49800 0.87400 0.20700 1.000 1.000 O 0.00000 0.00000 0.20000 1.000 1.000 O 0.85400 0.54800 0.21000 1.000 1.000 O 0.18000 0.55000 0.22000 1.000 1.000 O 0.51300 0.50900 0.39100 1.000 1.000 Wa 0.73900 0.10900 0.49800 1.000 1.000 Wa 0.27900 0.22200 0.44900 1.000 1.000 Wa 0.27900 0.39600 0.74200 1.000 1.000 Wa 0.15400 0.75800 0.56900 1.000 1.000 Wa 0.30600 0.71200 0.79400 1.000 1.000 Wa 0.46400 0.02300 0.55200 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 105.7440134 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.67 100.00 9.1460 0 0 1 12.35 1.58 7.1690 1 0 0 15.70 8.00 5.6456 0 1 1 15.71 8.36 5.6423 -1 0 1 15.71 14.41 5.6422 1 0 1 15.71 8.28 5.6418 0 -1 1 17.49 10.80 5.0708 1 1 0 17.49 8.55 5.0699 -1 1 0 19.41 7.42 4.5730 0 0 2 20.02 3.71 4.4357 1 1 1 20.02 5.21 4.4351 -1 1 1 20.03 4.94 4.4338 -1 -1 1 20.03 3.76 4.4332 1 -1 1 23.06 14.16 3.8571 0 1 2 23.07 8.16 3.8554 -1 0 2 23.07 10.05 3.8554 1 0 2 23.07 11.81 3.8547 0 -1 2 24.83 17.25 3.5860 0 2 0 24.84 15.79 3.5845 2 0 0 26.70 10.15 3.3393 0 2 1 26.71 10.85 3.3378 0 -2 1 26.71 11.60 3.3373 -2 0 1 26.71 12.25 3.3373 2 0 1 29.51 1.65 3.0272 1 2 1 29.51 2.20 3.0269 -1 2 1 29.52 1.60 3.0263 2 1 1 29.52 1.64 3.0261 -1 -2 1 29.52 1.87 3.0259 -2 1 1 29.52 1.15 3.0257 1 -2 1 29.52 2.50 3.0257 -2 -1 1 29.53 2.62 3.0253 2 -1 1 31.70 2.77 2.8228 0 2 2 31.72 2.07 2.8211 -2 0 2 31.72 2.00 2.8211 2 0 2 31.72 1.05 2.8209 0 -2 2 31.89 2.38 2.8064 0 1 3 31.90 4.48 2.8055 -1 0 3 31.90 3.47 2.8055 1 0 3 31.90 4.18 2.8050 0 -1 3 34.13 1.18 2.6267 1 2 2 34.14 1.40 2.6264 -1 2 2 34.15 2.28 2.6258 2 1 2 34.16 1.46 2.6251 -1 -2 2 34.16 1.45 2.6251 -2 -1 2 34.16 2.13 2.6249 1 -2 2 34.16 1.40 2.6248 2 -1 2 34.33 1.10 2.6122 -1 -1 3 35.40 4.99 2.5354 2 2 0 35.41 6.21 2.5349 -2 2 0 36.78 3.25 2.4435 2 2 1 36.79 3.04 2.4432 -2 2 1 36.79 2.79 2.4429 -2 -2 1 36.80 2.15 2.4425 2 -2 1 38.93 1.97 2.3134 0 3 1 38.95 2.00 2.3126 0 -3 1 38.95 1.64 2.3121 -3 0 1 38.95 1.86 2.3121 3 0 1 39.41 2.09 2.2865 0 0 4 39.74 1.79 2.2680 1 3 0 39.75 1.72 2.2678 -1 3 0 39.76 2.90 2.2673 3 1 0 39.76 1.72 2.2670 -3 1 0 40.82 1.81 2.2104 1 2 3 40.83 1.27 2.2103 -1 2 3 40.84 1.24 2.2098 2 1 3 40.84 1.65 2.2096 -2 1 3 40.85 1.47 2.2091 -2 -1 3 40.85 1.30 2.2090 -1 -2 3 40.85 1.28 2.2089 1 -2 3 40.99 1.42 2.2017 1 3 1 41.01 1.32 2.2008 1 -3 1 41.02 1.33 2.2003 3 -1 1 41.44 1.46 2.1789 0 1 4 42.66 2.18 2.1192 0 3 2 42.69 2.37 2.1180 0 -3 2 42.69 3.03 2.1179 -3 0 2 42.69 1.79 2.1179 3 0 2 43.40 1.87 2.0848 1 1 4 43.41 1.86 2.0847 -1 1 4 43.42 1.31 2.0840 -1 -1 4 43.42 2.40 2.0839 1 -1 4 48.37 1.62 1.8819 0 3 3 48.40 1.06 1.8807 -3 0 3 48.40 2.15 1.8807 3 0 3 48.40 1.46 1.8806 0 -3 3 49.85 1.48 1.8292 0 0 5 49.99 1.17 1.8244 2 3 2 50.00 1.59 1.8241 -2 3 2 50.00 1.28 1.8240 3 2 2 50.01 1.02 1.8238 -3 2 2 50.02 1.18 1.8236 -2 -3 2 50.02 1.14 1.8235 -3 -2 2 50.02 1.36 1.8234 2 -3 2 50.03 1.06 1.8232 3 -2 2 50.93 2.32 1.7930 0 4 0 50.95 2.59 1.7923 4 0 0 51.96 1.72 1.7597 0 4 1 51.98 1.26 1.7593 0 -4 1 51.99 1.21 1.7588 -4 0 1 51.99 1.64 1.7588 4 0 1 53.23 1.58 1.7209 1 1 5 53.23 1.44 1.7209 -1 1 5 53.24 1.93 1.7204 -1 -1 5 53.25 1.52 1.7204 1 -1 5 54.28 1.15 1.6900 -3 3 0 57.22 1.03 1.6100 -3 1 4 57.23 1.47 1.6098 -3 -1 4 57.23 1.25 1.6097 -1 -3 4 57.46 1.32 1.6037 2 4 0 57.47 1.39 1.6035 -2 4 0 57.48 1.06 1.6033 4 2 0 57.49 1.32 1.6031 -4 2 0 65.54 1.16 1.4243 1 3 5 65.57 1.10 1.4238 3 1 5 65.59 1.12 1.4233 1 -3 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.