# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title ' Hg3AgSbO6 in R3-c' _shelx_refln_list_code 4 _shelx_F_calc_maximum 1478.18 _exptl_crystal_F_000 2316.00 _shelx_F_squared_multiplier 1.000 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status -1 2 0 11889.27 12672.50 3746.42 o 0 3 0 2185009.50 1893508.13 171429.34 o -2 4 0 35532.08 38592.89 3060.39 o -1 5 0 24857.61 24661.65 1641.36 o -3 6 0 1464285.75 1417107.38 13100.18 o 0 6 0 890374.25 666451.63 113104.63 o -2 7 0 9908.23 10123.22 1388.04 o -4 8 0 6865.13 8922.11 2015.93 o -1 8 0 17855.13 16442.01 1503.47 o -3 9 0 435718.13 374970.88 25809.08 o 0 9 0 304242.69 258065.22 48413.91 o -5 10 0 10998.68 10930.54 1771.70 o -2 10 0 7616.56 8161.37 1133.11 o -4 11 0 9547.64 9348.32 1147.34 o -1 11 0 2790.96 3039.45 1083.06 o -6 12 0 159684.73 124743.20 11158.76 o -2 3 1 3375.57 6342.37 2485.64 o -1 4 1 7551.03 7853.18 1921.96 o -3 5 1 1850.48 2300.04 1735.97 o -5 6 1 10144.50 8930.08 1400.67 o -2 6 1 7672.83 8080.47 1610.88 o -4 7 1 2124.67 2453.56 1412.04 o -1 7 1 9600.05 8790.02 1364.25 o -6 8 1 1319.89 1742.17 1232.80 o -3 8 1 917.64 1006.11 1345.03 o -8 9 1 3896.06 3760.16 1060.93 o -5 9 1 7348.27 7815.44 1285.90 o -2 9 1 11968.25 10713.58 1181.40 o -7 10 1 1437.67 1638.69 1120.33 o -4 10 1 6195.67 5504.21 1142.99 o -1 10 1 5763.37 5086.48 1122.11 o -9 11 1 1811.38 1584.12 1109.55 o -6 11 1 755.85 385.73 1208.54 o -3 11 1 18.45 235.59 1129.87 o -8 12 1 4385.77 4606.04 1065.83 o -5 12 1 4789.55 4297.49 1137.66 o 0 1 2 10615.68 11210.07 4075.47 o -2 2 2 3123.59 10579.56 3820.45 o -1 3 2 4177.23 7152.83 2301.29 o -3 4 2 30818.68 32231.81 1982.08 o 0 4 2 228.40 769.32 2685.03 o -5 5 2 1981.03 3065.32 2103.98 o -2 5 2 1337.31 2039.32 1668.76 o -4 6 2 13605.29 13654.77 1549.19 o -1 6 2 3520.08 4641.15 1612.77 o -6 7 2 5917.62 5902.85 1296.98 o -3 7 2 28954.18 28253.36 1627.05 o 0 7 2 30285.67 29010.14 2029.15 o -8 8 2 4902.52 4180.28 1616.80 o -5 8 2 533.04 542.79 1345.14 o -2 8 2 193.21 1081.06 1348.09 o -7 9 2 12593.53 12014.28 1197.00 o -4 9 2 4849.38 6750.26 1227.34 o -1 9 2 1973.18 2224.40 1198.08 o -9 10 2 14417.30 13405.12 1486.63 o -6 10 2 18776.62 18959.09 1263.16 o -3 10 2 7133.54 6829.54 1148.72 o 0 10 2 12808.68 12323.04 1649.72 o -8 11 2 495.98 627.55 1092.61 o -5 11 2 799.58 1642.18 1135.02 o -2 11 2 172.66 685.53 1106.13 o -7 12 2 7640.97 6718.07 1075.88 o -4 12 2 2736.68 2587.02 1898.50 o -1 2 3 1027442.19 1134085.00 28746.85 o -2 4 3 783424.50 775152.94 35850.66 o -4 5 3 546568.69 506687.50 12642.21 o -1 5 3 555024.81 544087.19 20626.16 o -3 6 3 0.55 1116.00 1501.55 o -5 7 3 324975.91 294439.25 14873.04 o -2 7 3 317440.84 309159.75 10684.88 o -7 8 3 217292.47 191881.55 22879.07 o -4 8 3 253471.63 245575.20 8789.30 o -1 8 3 218179.83 211787.69 7524.01 o -6 9 3 26.45 446.75 1168.23 o -3 9 3 39.82 836.47 1305.62 o -8 10 3 105117.77 96732.46 11349.37 o -5 10 3 149421.61 155454.02 4949.44 o -2 10 3 107960.96 106412.03 2142.62 o -7 11 3 86850.09 85628.44 6682.85 o -4 11 3 87460.76 87155.35 2443.41 o -6 12 3 14.73 294.52 1101.51 o -1 1 4 120495.24 134209.72 7939.76 o 0 2 4 181764.23 185040.06 17483.55 o -2 3 4 233601.88 266848.47 14655.20 o -4 4 4 125943.51 132924.56 10544.50 o -1 4 4 67226.13 67762.14 3867.26 o -3 5 4 145145.55 147897.41 11505.37 o 0 5 4 147334.53 145705.45 7694.54 o -5 6 4 64032.56 62388.97 2826.33 o -2 6 4 36998.67 36572.35 2037.96 o -7 7 4 7954.89 7561.44 1880.25 o -4 7 4 8767.79 9294.39 1414.86 o -1 7 4 31793.94 32823.04 1577.81 o -6 8 4 53385.79 52000.50 2738.50 o -3 8 4 66116.02 63815.11 2687.88 o 0 8 4 74835.06 74654.63 6282.93 o -8 9 4 22336.72 19586.09 2262.47 o -5 9 4 20655.66 20812.52 1290.99 o -2 9 4 9392.70 9369.80 1232.60 o -10 10 4 476.80 433.03 1540.09 o -7 10 4 7542.04 7495.44 1213.91 o -4 10 4 2980.98 2788.53 1184.79 o -1 10 4 1296.32 1410.56 1175.11 o -9 11 4 16279.63 13719.09 1870.27 o -6 11 4 34651.38 35552.98 1643.21 o -3 11 4 30007.08 30019.00 1252.77 o -1 3 5 2357.52 2942.44 1889.33 o -3 4 5 3985.84 4401.82 1847.28 o -2 5 5 714.04 1643.91 1601.09 o -4 6 5 4299.93 6634.36 1504.40 o -1 6 5 5921.30 7283.83 1445.55 o -6 7 5 7040.77 7183.58 1454.83 o -3 7 5 1379.66 1150.77 1407.21 o -5 8 5 580.07 793.24 1197.48 o -2 8 5 773.29 1258.05 1242.94 o -7 9 5 7368.53 7951.89 1174.51 o -4 9 5 4988.62 5715.85 1233.45 o -1 9 5 1879.30 2754.26 1275.83 o -9 10 5 3951.75 3650.47 1197.77 o -6 10 5 4001.13 3938.38 1126.57 o -3 10 5 1121.89 1321.34 1206.16 o -8 11 5 3.99 417.19 1151.82 o -5 11 5 236.18 631.02 1175.59 o -2 11 5 1134.46 952.21 1257.36 o 0 0 6 1236727.13 1283837.75 6848.59 o -1 2 6 226199.66 222825.39 4517.70 o -3 3 6 631917.00 640261.00 10917.98 o 0 3 6 530101.88 518124.72 66711.55 o -2 4 6 225732.44 222373.64 3569.63 o -4 5 6 163432.67 170344.34 5375.00 o -1 5 6 186404.55 188257.83 15094.75 o -6 6 6 243424.66 251746.28 2665.04 o -3 6 6 435573.28 452908.31 35281.02 o 0 6 6 268810.03 272325.03 36589.75 o -5 7 6 103771.55 109672.11 4504.39 o -2 7 6 97333.78 109058.36 8999.90 o -7 8 6 94791.62 100881.95 4855.49 o -4 8 6 78789.96 84066.89 6588.91 o -1 8 6 85290.85 99635.66 11262.90 o -9 9 6 89741.80 89945.91 16754.18 o -6 9 6 129981.13 133267.16 9227.79 o -3 9 6 123188.00 137630.94 10186.05 o 0 9 6 91653.71 114995.20 29178.75 o -8 10 6 44950.43 44464.41 3999.65 o -5 10 6 60166.21 67376.62 6046.14 o -2 10 6 49795.50 57952.47 6766.44 o -7 11 6 42942.11 40338.80 4509.93 o -4 11 6 49221.20 48774.79 4377.12 o -2 3 7 1775.84 2896.25 1558.09 o -1 4 7 3994.56 4360.84 1560.71 o -3 5 7 1503.67 1783.50 1518.43 o -5 6 7 5939.29 6525.48 1401.94 o -2 6 7 5676.77 6733.13 1402.84 o -4 7 7 1478.65 2047.28 1339.20 o -1 7 7 5373.62 6386.70 1236.18 o -6 8 7 1106.90 1898.53 1219.31 o -3 8 7 538.41 928.07 1216.65 o -8 9 7 3325.96 3851.94 1253.71 o -5 9 7 4806.85 5925.97 1201.79 o -2 9 7 8238.81 9018.70 1192.22 o -7 10 7 838.27 1490.58 1170.23 o -4 10 7 4190.26 4592.04 1183.42 o -1 10 7 4046.74 3699.82 1238.78 o -6 11 7 805.89 880.63 1370.98 o 0 1 8 91755.55 89937.67 6645.79 o -2 2 8 82216.19 80450.57 3750.93 o -1 3 8 101310.06 99336.70 1767.64 o -3 4 8 26871.05 27877.98 1464.65 o 0 4 8 63788.66 66177.81 11521.44 o -5 5 8 67184.25 68983.54 2167.83 o -2 5 8 79081.53 77807.52 1850.31 o -4 6 8 28054.06 28961.02 1403.98 o -1 6 8 33304.36 35222.93 3068.27 o -6 7 8 20746.38 22353.97 1337.17 o -3 7 8 14207.66 16946.16 1759.41 o 0 7 8 3979.20 4453.64 1736.94 o -8 8 8 40216.32 43276.98 2043.55 o -5 8 8 40834.56 42646.93 2067.27 o -2 8 8 27839.21 32709.26 3510.66 o -7 9 8 5088.43 5283.87 1219.22 o -4 9 8 13228.55 14548.10 1219.83 o -1 9 8 12005.63 13363.05 2117.68 o -6 10 8 1862.49 1538.16 1188.87 o -3 10 8 6685.29 6526.04 1160.35 o -1 2 9 344453.16 326804.56 9019.67 o -2 4 9 282893.19 266060.28 3468.38 o -4 5 9 212186.98 210089.44 4751.53 o -1 5 9 219864.27 230410.72 17917.54 o -3 6 9 0.79 1602.34 1322.45 o -5 7 9 141176.42 146419.31 5152.32 o -2 7 9 133172.11 147453.52 14942.78 o -7 8 9 95577.41 102494.46 1857.96 o -4 8 9 110755.67 119882.97 7008.89 o -1 8 9 96653.62 111099.71 13636.72 o -6 9 9 6.74 637.15 1155.59 o -3 9 9 21.83 941.41 1188.93 o -5 10 9 68036.38 75920.34 6026.00 o -1 1 10 7111.78 6683.88 1933.16 o 0 2 10 76.38 1217.70 1840.88 o -2 3 10 26.56 1007.38 1244.51 o -4 4 10 2023.76 2076.60 1671.77 o -1 4 10 4366.85 4385.94 1261.26 o -3 5 10 54.34 747.84 1195.61 o 0 5 10 1389.21 3209.38 1763.06 o -5 6 10 872.64 1444.95 1240.88 o -2 6 10 6399.67 6880.40 1227.99 o -7 7 10 8699.50 9157.70 1945.04 o -4 7 10 16252.15 17060.73 1238.96 o -1 7 10 4288.48 5106.63 1161.09 o -6 8 10 36.42 818.59 1212.47 o -3 8 10 149.89 988.69 1174.63 o 0 8 10 1722.65 1177.97 1443.96 o -5 9 10 2275.57 2086.01 1189.45 o -2 9 10 4400.62 4498.25 1125.00 o -1 3 11 640.29 1037.81 1241.76 o -3 4 11 845.74 921.43 1168.43 o -2 5 11 119.68 611.03 1156.58 o -4 6 11 1146.52 1515.28 1193.80 o -1 6 11 1376.67 2323.59 1225.94 o -6 7 11 2250.89 2515.32 1222.08 o -3 7 11 435.88 936.21 1132.17 o -5 8 11 142.50 420.06 1160.31 o -2 8 11 222.48 608.48 1141.91 o -4 9 11 1558.43 1840.83 1245.21 o 0 0 12 516046.38 506621.81 37546.08 o -1 2 12 2361.91 2651.25 1221.53 o -3 3 12 371384.88 358722.44 20570.90 o 0 3 12 314188.47 309881.13 32557.52 o -2 4 12 3499.20 4327.48 1131.64 o -4 5 12 2096.01 2537.85 1149.11 o -1 5 12 4135.63 4476.78 1116.23 o -6 6 12 168208.25 163818.95 4421.61 o -3 6 12 251390.02 238123.33 6067.11 o 0 6 12 188322.22 207168.55 33234.23 o -5 7 12 1994.56 2291.45 1163.28 o -2 7 12 1398.47 2310.09 1106.84 o -4 8 12 1365.92 2734.24 1141.73 o -2 3 13 502.22 1313.39 1123.64 o -1 4 13 995.82 1193.91 1140.53 o -3 5 13 501.92 478.13 1070.14 o -5 6 13 1660.87 1894.60 1132.23 o -2 6 13 1913.91 2043.53 1063.40 o -4 7 13 491.28 840.30 1039.08 o 0 1 14 224.00 609.12 1657.78 o -2 2 14 505.26 395.13 1565.84 o -1 3 14 152.71 454.63 1154.00 o -3 4 14 3990.93 3242.78 1111.84 o 0 4 14 675.06 387.54 1564.91 o -5 5 14 53.21 110.18 1625.26 o -2 5 14 7.18 671.35 1102.73 o -4 6 14 1299.78 1019.72 1614.65 o -1 2 15 65386.73 65872.42 4800.71 o -2 4 15 55223.73 50299.97 3313.15 o -1 1 16 8012.77 6642.92 2281.10 o