data_4326074 _shelx_title ' final in P4/mmm' _shelx_refln_list_code 4 _shelx_F_calc_maximum 182.08 _exptl_crystal_F_000 256.00 _reflns_d_resolution_high 0.7511 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-y, x, z' 'y, -x, z' '-x, y, -z' 'x, -y, -z' 'y, x, -z' '-y, -x, -z' '-x, -y, -z' 'x, y, -z' 'y, -x, -z' '-y, x, -z' 'x, -y, z' '-x, y, z' '-y, -x, z' 'y, x, z' _cell_length_a 4.1714 _cell_length_b 4.1714 _cell_length_c 10.3553 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _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 0 1 0 6.07 26.98 5.82 o 1 1 0 95.90 137.54 5.59 o 0 2 0 33151.43 28895.45 773.85 o 1 2 0 0.56 2.48 1.98 o 2 2 0 21576.73 21479.53 378.80 o 0 3 0 1.00 1.65 2.37 o 1 3 0 65.53 79.92 3.57 o 2 3 0 0.40 1.72 1.95 o 3 3 0 59.49 60.21 6.94 o 0 4 0 10761.86 11302.30 256.39 o 1 4 0 4.85 4.22 2.56 o 2 4 0 7930.23 8096.46 131.67 o 3 4 0 2.35 2.93 3.69 o 0 5 0 0.43 0.80 5.53 o 1 5 0 41.72 44.93 9.20 o 2 5 0 0.11 2.97 3.13 o 0 0 1 1973.89 1744.28 71.85 o 0 1 1 175.11 191.93 3.53 o 1 1 1 4734.38 4921.33 57.51 o 0 2 1 1120.35 1176.23 15.21 o 1 2 1 120.00 123.24 2.43 o 2 2 1 756.40 786.73 11.59 o 0 3 1 116.34 116.18 4.12 o 1 3 1 1798.79 1906.39 19.70 o 2 3 1 88.20 89.60 3.00 o 3 3 1 873.86 866.75 18.80 o 0 4 1 374.80 379.04 9.87 o 1 4 1 55.76 55.13 2.93 o 2 4 1 276.68 276.01 6.57 o 3 4 1 41.20 41.16 3.87 o 0 5 1 56.23 60.40 5.19 o 1 5 1 470.81 496.70 15.26 o 2 5 1 44.93 45.22 4.09 o 0 0 2 1286.30 1192.72 31.72 o 0 1 2 10958.05 10760.70 123.96 o 1 1 2 2308.42 2329.56 30.47 o 0 2 2 767.22 796.05 11.49 o 1 2 2 6551.12 6689.37 59.13 o 2 2 2 528.64 524.31 8.44 o 0 3 2 4411.87 4563.55 57.43 o 1 3 2 873.44 891.49 9.93 o 2 3 2 3195.25 3256.44 31.85 o 3 3 2 421.35 411.67 11.42 o 0 4 2 268.93 265.18 9.46 o 1 4 2 2428.27 2551.31 30.40 o 2 4 2 200.48 204.77 5.45 o 3 4 2 1373.10 1335.31 19.98 o 0 5 2 1313.38 1393.13 50.80 o 1 5 2 224.94 218.04 6.40 o 2 5 2 1016.25 1026.60 24.90 o 0 0 3 4117.76 3950.87 100.74 o 0 1 3 1511.21 1532.40 20.44 o 1 1 3 14909.82 14228.67 178.65 o 0 2 3 2273.13 2283.32 29.52 o 1 2 3 862.89 879.22 9.01 o 2 2 3 1365.51 1381.19 21.14 o 0 3 3 645.15 647.62 10.56 o 1 3 3 6799.50 6935.96 63.32 o 2 3 3 440.60 442.04 6.52 o 3 3 3 3600.84 3521.74 50.26 o 0 4 3 587.08 593.09 13.38 o 1 4 3 266.30 268.40 5.76 o 2 4 3 407.30 408.08 7.87 o 3 4 3 157.97 146.10 5.83 o 0 5 3 208.72 205.43 10.55 o 1 5 3 2095.39 2118.14 29.47 o 2 5 3 152.06 149.03 6.39 o 0 0 4 266.51 278.52 10.32 o 0 1 4 672.64 667.61 10.04 o 1 1 4 15054.91 14407.19 173.19 o 0 2 4 171.81 184.27 4.79 o 1 2 4 421.67 427.75 5.38 o 2 2 4 137.38 149.30 4.83 o 0 3 4 257.23 267.98 6.53 o 1 3 4 6901.85 6916.63 64.78 o 2 3 4 188.87 180.47 4.10 o 3 3 4 3677.73 3599.90 53.53 o 0 4 4 91.55 91.44 4.85 o 1 4 4 161.26 152.18 4.62 o 2 4 4 72.89 67.49 3.47 o 3 4 4 82.43 77.08 4.56 o 0 5 4 62.28 61.40 5.98 o 1 5 4 2112.82 2137.76 31.14 o 0 0 5 500.01 452.69 15.10 o 0 1 5 1817.81 1780.77 25.08 o 1 1 5 3923.23 3920.03 52.09 o 0 2 5 323.73 314.19 6.46 o 1 2 5 1314.94 1307.79 13.51 o 2 2 5 232.75 223.22 5.87 o 0 3 5 1002.95 999.38 16.11 o 1 3 5 1853.54 1875.22 20.26 o 2 3 5 756.37 729.98 10.28 o 3 3 5 996.21 955.67 19.81 o 0 4 5 129.80 124.74 5.71 o 1 4 5 564.96 540.73 9.28 o 2 4 5 97.64 94.02 4.36 o 3 4 5 357.51 334.81 8.30 o 0 5 5 376.14 367.77 12.55 o 1 5 5 570.37 554.24 12.50 o 0 0 6 13763.84 13684.13 344.13 o 0 1 6 1609.35 1575.66 22.84 o 1 1 6 657.28 637.48 10.82 o 0 2 6 9154.29 9181.87 116.07 o 1 2 6 1077.73 1054.73 12.26 o 2 2 6 6395.15 6368.07 86.36 o 0 3 6 834.25 816.53 14.47 o 1 3 6 280.94 271.87 5.85 o 2 3 6 599.36 560.83 8.87 o 3 3 6 143.19 140.45 6.81 o 0 4 6 3409.02 3451.43 58.10 o 1 4 6 395.80 374.06 7.40 o 2 4 6 2563.87 2596.97 32.44 o 3 4 6 239.80 241.23 21.86 o 0 5 6 290.05 292.11 25.18 o 0 0 7 7762.92 7893.95 200.77 o 0 1 7 1226.69 1230.63 19.57 o 1 1 7 127.72 128.05 4.30 o 0 2 7 5465.73 5449.26 77.30 o 1 2 7 880.97 873.30 10.81 o 2 2 7 3967.97 3985.22 58.12 o 0 3 7 603.06 619.58 12.77 o 1 3 7 36.83 44.20 2.91 o 2 3 7 455.47 442.09 7.83 o 3 3 7 12.21 13.36 3.80 o 0 4 7 2247.86 2274.00 42.60 o 1 4 7 375.95 367.93 8.47 o 2 4 7 1740.01 1718.83 25.99 o 0 0 8 62.65 73.20 10.58 o 0 1 8 2603.80 2584.19 37.83 o 1 1 8 510.48 501.12 10.41 o 0 2 8 44.18 46.78 3.92 o 1 2 8 1898.46 1944.26 22.67 o 2 2 8 31.94 24.67 3.56 o 0 3 8 1401.34 1405.20 25.47 o 1 3 8 262.87 251.19 6.38 o 2 3 8 1059.18 1036.08 15.21 o 3 3 8 144.55 138.04 7.33 o 0 4 8 16.60 15.96 4.33 o 1 4 8 817.01 829.77 14.20 o 2 4 8 11.85 11.51 2.76 o 0 0 9 4492.43 4584.12 141.05 o 0 1 9 451.01 455.33 10.64 o 1 1 9 568.83 545.83 11.81 o 0 2 9 3204.02 3211.67 50.08 o 1 2 9 357.81 363.76 7.28 o 2 2 9 2343.73 2402.49 49.53 o 0 3 9 256.39 257.46 10.01 o 1 3 9 302.03 305.66 8.59 o 2 3 9 210.10 204.54 6.49 o 0 4 9 1326.49 1401.09 29.45 o 1 4 9 193.87 205.09 7.49 o 0 0 10 229.67 229.69 15.36 o 0 1 10 7.04 14.03 3.35 o 1 1 10 6829.32 6867.09 105.09 o 0 2 10 183.78 172.83 8.33 o 1 2 10 5.39 6.14 2.89 o 2 2 10 145.23 150.71 8.10 o 0 3 10 1.63 7.41 4.21 o 1 3 10 3862.49 4036.23 65.82 o 2 3 10 1.22 5.91 2.74 o 0 0 11 40.78 47.57 8.82 o 0 1 11 16.61 45.07 15.04 o 1 1 11 35.49 52.54 5.90 o 0 2 11 33.82 28.08 4.48 o 1 2 11 11.15 13.98 3.16 o 2 2 11 28.51 40.21 6.61 o 0 3 11 7.41 8.56 3.72 o 1 3 11 25.31 28.65 4.20 o 0 0 12 720.66 698.40 29.91 o 0 1 12 1724.77 1767.25 45.65 o 1 1 12 673.06 681.59 17.83 o 0 2 12 535.77 543.16 21.59 o 1 2 12 1311.09 1328.15 21.87 o 0 0 13 1037.29 1007.54 55.96 o 0 1 13 20.14 25.27 4.30 o 1 1 13 278.12 268.49 12.10 o _[local]_cod_data_source_file 'ic2009418_si_002_RbZn4As3.hkl' _[local]_cod_data_source_block 'RbZn4As3'