data_Co12P7_at_48GPa _shelx_title ' cr12 p7' _shelx_refln_list_code 4 _shelx_F_calc_maximum 157.97 _exptl_crystal_F_000 429.00 _reflns_d_resolution_high 0.5721 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'x, y, -z' '-y, x-y, -z' '-x+y, -x, -z' _cell_length_a 7.9700 _cell_length_b 7.9700 _cell_length_c 3.2034 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _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 1 1 0 398.38 488.92 5.39 o -1 2 0 411.25 479.24 5.97 o 1 2 0 761.20 796.49 8.71 o 2 2 0 8927.14 10461.29 32.67 o -2 3 0 722.17 805.01 8.26 o 2 3 0 558.81 612.78 9.68 o 3 3 0 368.21 426.95 9.52 o -7 4 0 346.30 398.37 10.05 o -3 4 0 18344.74 22814.60 58.15 o -2 4 0 8973.58 10462.75 42.84 o 1 4 0 1196.83 1261.34 14.58 o 2 4 0 620.16 815.64 12.20 o 3 4 0 2565.84 3098.02 26.10 o 4 4 0 137.46 169.32 8.76 o -9 5 0 4753.38 5862.26 42.47 o -8 5 0 1368.69 1769.89 21.96 o -4 5 0 1171.18 1281.35 14.37 o 2 5 0 5895.97 6057.04 32.80 o 3 5 0 672.02 680.32 12.60 o 4 5 0 907.12 1050.74 17.37 o 5 5 0 622.46 653.79 15.96 o -10 6 0 290.78 352.58 11.74 o -9 6 0 1145.73 1103.97 19.79 o -5 6 0 1699.72 1753.28 19.62 o -4 6 0 832.90 915.81 13.07 o 2 6 0 1079.20 1190.93 18.18 o 3 6 0 1734.09 1669.65 21.33 o 4 6 0 138.14 139.76 9.14 o 5 6 0 23.02 17.39 7.30 o -11 7 0 230.10 245.20 11.35 o -6 7 0 47.43 41.01 6.55 o -5 7 0 5846.98 6016.09 38.48 o -4 7 0 2528.39 3010.35 32.88 o 3 7 0 2081.80 2176.16 27.92 o 4 7 0 3933.43 4683.40 38.84 o -6 8 0 1089.41 1137.72 18.14 o -5 8 0 585.70 620.31 15.08 o -7 9 0 859.52 886.38 17.52 o -6 9 0 1466.05 1766.21 21.71 o -5 9 0 817.93 1021.11 27.00 o -8 10 0 2130.47 2402.65 29.42 o -7 10 0 2094.95 2156.02 27.54 o -6 10 0 136.01 160.67 15.40 o -5 10 0 615.82 666.51 29.52 o -8 11 0 1797.49 1839.63 28.67 o -7 11 0 4015.46 4581.85 52.21 o -6 11 0 21.81 38.41 19.82 o -1 1 1 1332.46 1421.10 9.55 o 0 1 1 1387.84 1415.38 9.46 o 1 1 1 433.05 421.96 6.52 o -3 2 1 8224.65 7413.00 31.99 o -2 2 1 168.10 167.25 4.38 o -1 2 1 433.02 420.50 6.67 o 0 2 1 160.91 162.43 6.85 o 1 2 1 24712.34 23147.55 35.17 o 2 2 1 5782.54 5669.61 27.63 o -5 3 1 1098.19 1045.61 15.16 o -4 3 1 850.17 843.99 11.03 o -3 3 1 12156.57 11979.11 22.46 o -2 3 1 24953.44 23133.67 48.12 o -1 3 1 8281.04 7396.84 30.53 o 1 3 1 3253.16 2870.15 11.57 o 2 3 1 13.15 14.22 2.54 o 3 3 1 719.31 657.14 20.87 o -7 4 1 2317.54 2388.65 26.92 o -6 4 1 3972.48 4028.58 31.24 o -5 4 1 25.39 21.49 4.84 o -4 4 1 1404.83 1469.10 58.06 o -3 4 1 3156.71 2858.05 14.70 o -2 4 1 5725.06 5718.18 31.08 o -1 4 1 866.90 805.28 17.90 o 1 4 1 31.14 28.64 3.26 o 2 4 1 1433.70 1250.09 10.71 o 3 4 1 2153.70 2305.51 40.02 o 4 4 1 710.26 712.57 17.19 o -9 5 1 1159.76 1205.94 17.96 o -8 5 1 702.16 793.29 13.39 o -7 5 1 115.38 109.58 7.39 o -6 5 1 4910.89 4856.54 38.73 o -5 5 1 874.40 935.54 8.93 o -4 5 1 31.68 29.43 2.96 o -3 5 1 19.00 12.17 4.49 o -2 5 1 1053.17 1038.01 16.18 o 1 5 1 1055.00 1041.52 10.89 o 2 5 1 17345.79 17984.96 63.45 o 3 5 1 1161.46 1181.82 15.97 o 5 5 1 1054.33 1059.28 19.15 o -11 6 1 444.01 560.26 15.50 o -9 6 1 3899.14 4676.36 126.30 o -8 6 1 750.49 821.41 17.67 o -7 6 1 47.22 47.74 10.06 o -6 6 1 305.95 329.98 6.62 o -5 6 1 898.22 971.84 11.37 o -4 6 1 1368.79 1235.27 14.07 o -3 6 1 658.33 671.79 13.58 o -2 6 1 3806.63 3887.85 43.90 o 3 6 1 69.27 70.89 9.08 o 4 6 1 163.06 133.07 8.47 o 5 6 1 159.54 154.54 10.34 o 6 6 1 1668.75 1617.89 27.94 o -12 7 1 210.21 241.66 11.76 o -9 7 1 183.61 157.92 9.00 o -8 7 1 4400.67 4413.43 46.81 o -7 7 1 651.75 653.24 11.22 o -6 7 1 300.84 304.70 9.34 o -5 7 1 17571.75 18050.51 56.08 o -4 7 1 2276.50 2321.05 22.53 o -3 7 1 2329.28 2376.82 31.14 o 3 7 1 785.03 663.05 13.21 o 4 7 1 1218.53 1120.52 16.95 o 5 7 1 923.55 827.48 15.47 o -9 8 1 1467.16 1332.87 29.90 o -6 8 1 437.38 428.70 12.55 o -5 8 1 1139.18 1145.09 26.65 o -4 8 1 753.45 743.81 19.18 o -3 8 1 703.42 760.08 26.79 o 4 8 1 1277.89 1181.79 19.62 o -8 9 1 979.28 918.14 16.62 o -7 9 1 251.29 203.34 9.91 o -4 9 1 1311.74 1354.83 33.29 o 4 9 1 45.59 64.76 7.97 o -9 10 1 469.51 451.99 14.19 o -8 10 1 348.92 327.24 10.92 o -7 10 1 713.63 648.93 18.88 o -6 10 1 113.02 132.87 9.56 o -9 11 1 34.09 39.06 8.27 o -8 11 1 686.30 701.62 26.38 o -10 12 1 36.78 49.10 9.68 o -9 12 1 196.12 184.17 16.53 o -8 12 1 1202.05 1172.42 32.28 o -1 1 2 4.22 1.45 2.30 o 0 1 2 3.87 4.24 2.61 o 1 1 2 188.65 168.89 7.11 o -3 2 2 11.61 8.67 3.63 o -2 2 2 13.38 10.60 2.89 o -1 2 2 196.36 183.20 4.30 o 0 2 2 12.02 12.55 1.90 o 1 2 2 323.96 290.53 5.18 o -5 3 2 1697.76 1423.00 17.21 o -3 3 2 791.42 775.58 12.78 o -1 3 2 9.47 8.73 2.50 o 0 3 2 801.63 808.35 15.38 o 2 3 2 307.28 261.43 10.67 o 3 3 2 204.32 203.26 8.85 o -7 4 2 214.46 198.80 8.75 o -6 4 2 3457.38 3522.97 31.10 o -4 4 2 2465.69 2320.94 22.29 o -3 4 2 9587.40 8655.49 34.16 o -2 4 2 4715.62 4347.25 35.81 o -1 4 2 450.26 420.30 9.61 o 0 4 2 2483.57 2202.36 33.78 o 1 4 2 673.13 608.36 5.77 o 2 4 2 402.20 420.21 6.39 o 3 4 2 1618.48 1281.29 11.92 o 4 4 2 87.50 86.08 9.18 o -9 5 2 3320.39 3213.52 32.58 o -8 5 2 974.61 980.28 20.08 o -7 5 2 3016.09 2881.18 29.56 o -6 5 2 2985.58 2853.65 11.86 o -5 5 2 571.92 573.22 12.09 o -4 5 2 652.50 637.80 14.28 o -3 5 2 265.24 261.29 13.65 o -1 5 2 10433.85 9517.83 60.80 o 2 5 2 3867.12 3688.49 18.99 o 3 5 2 442.97 351.82 11.65 o 4 5 2 646.36 592.23 9.31 o 5 5 2 463.37 430.84 11.26 o -11 6 2 776.70 826.64 17.60 o -10 6 2 211.71 241.13 15.51 o -8 6 2 731.94 620.37 16.21 o -7 6 2 1089.58 1072.18 8.79 o -6 6 2 890.25 884.12 9.85 o -5 6 2 990.74 912.55 19.56 o -4 6 2 573.48 431.44 11.98 o -3 6 2 244.79 192.25 9.66 o -2 6 2 3419.81 3483.45 34.01 o 2 6 2 722.87 656.52 9.64 o 3 6 2 1253.06 1059.64 12.23 o 4 6 2 102.96 93.22 7.62 o 5 6 2 17.40 19.16 7.12 o 6 6 2 671.21 667.96 15.59 o -13 7 2 1445.11 1208.35 22.95 o -12 7 2 285.31 302.41 12.08 o -8 7 2 1909.13 2131.11 26.79 o -7 7 2 590.75 568.54 9.31 o -6 7 2 31.93 26.91 12.30 o -3 7 2 222.65 199.22 8.47 o -2 7 2 3069.66 3179.02 43.18 o 3 7 2 1547.15 1512.36 17.19 o 4 7 2 3009.21 3077.39 26.21 o 5 7 2 197.90 194.76 9.32 o -8 8 2 3106.97 3105.62 18.71 o -7 8 2 420.80 366.32 14.19 o -5 8 2 373.67 382.52 13.10 o -4 8 2 87.05 74.86 8.83 o -3 8 2 1028.63 920.05 24.06 o -2 8 2 683.26 612.07 26.01 o 3 8 2 1384.97 1764.03 22.06 o -9 9 2 129.75 114.32 6.78 o -9 10 2 866.54 936.75 20.41 o 0 1 3 330.77 340.20 7.42 o 1 1 3 100.70 115.53 5.46 o -2 2 3 76.32 62.88 7.76 o -1 2 3 99.30 97.22 3.68 o -5 3 3 491.27 492.17 13.68 o -4 3 3 318.02 273.39 10.69 o -3 3 3 4356.80 4147.49 28.94 o -1 3 3 2832.42 2758.77 36.41 o 0 3 3 4324.30 4175.08 16.46 o 1 3 3 1365.40 1291.72 11.26 o 2 3 3 5.87 5.29 2.37 o 3 3 3 275.77 267.51 10.00 o -7 4 3 1067.52 1056.60 21.35 o -6 4 3 1519.33 1519.30 20.93 o -5 4 3 9.23 8.32 5.18 o -4 4 3 588.23 581.14 10.57 o -3 4 3 1302.03 1283.14 15.84 o -2 4 3 2252.45 2012.46 15.39 o -1 4 3 327.87 326.93 9.01 o 0 4 3 596.45 562.52 8.19 o 1 4 3 6.15 7.61 6.69 o 2 4 3 588.72 568.87 8.49 o 3 4 3 1010.10 1079.67 17.54 o 4 4 3 362.20 400.67 15.83 o -7 5 3 52.24 50.75 7.62 o -6 5 3 1998.07 1826.77 21.63 o -5 5 3 307.14 367.02 10.83 o -4 5 3 6.33 10.26 5.59 o -3 5 3 9.34 6.78 4.76 o -2 5 3 461.50 484.48 13.23 o -1 5 3 4.45 12.98 4.73 o 0 5 3 380.67 351.91 19.96 o 2 5 3 8297.90 8221.77 25.00 o 3 5 3 593.65 596.29 9.52 o -6 6 3 136.81 136.03 9.10 o -5 6 3 367.07 407.77 12.08 o -4 6 3 545.68 571.97 12.22 o -3 6 3 237.35 278.43 15.68 o -2 6 3 1416.49 1558.56 25.82 o -1 6 3 1985.03 1889.74 35.15 o -7 7 3 337.74 313.49 11.98 o -6 7 3 144.61 144.96 8.50 o -5 7 3 8442.71 8291.61 44.52 o -4 7 3 1090.83 1038.63 21.40 o -3 7 3 1075.66 1081.92 19.75 o -2 7 3 62.22 71.26 11.71 o -6 8 3 212.32 169.60 10.13 o -5 8 3 578.85 544.31 17.96 o -1 1 4 0.23 0.05 4.22 o 1 1 4 48.06 49.91 4.56 o -2 2 4 3.32 0.82 5.54 o -1 2 4 52.12 45.01 4.34 o 0 2 4 2.50 2.91 2.50 o 1 2 4 36.73 44.31 7.45 o -1 3 4 2.48 -0.04 4.48 o 0 3 4 241.93 217.24 10.20 o 1 3 4 2816.11 3290.87 40.42 o -4 4 4 805.98 848.58 17.80 o -3 4 4 2831.21 3136.14 31.37 o -2 4 4 1415.61 1536.90 17.43 o -1 4 4 127.94 129.27 4.89 o 0 4 4 816.15 860.33 20.72 o 1 4 4 217.42 218.93 15.05 o -6 5 4 1139.22 1054.74 19.45 o -4 5 4 206.03 191.93 8.52 o -3 5 4 83.47 105.65 7.10 o -2 5 4 600.36 585.41 10.47 o -1 5 4 3641.67 3723.58 26.41 o 0 5 4 188.32 208.52 7.06 o -5 6 4 343.79 374.65 11.35 o -4 6 4 233.48 199.18 9.16 o -3 6 4 81.80 75.24 7.54 o -2 6 4 1246.24 1246.51 46.87 o -1 6 4 1112.68 1027.06 14.68 o 0 6 4 352.47 325.18 8.31 o -5 7 4 1543.08 1658.40 24.89 o -4 7 4 615.78 694.38 14.64 o -3 7 4 79.50 74.17 6.54 o -2 7 4 1230.29 1166.52 16.97 o -1 7 4 435.88 473.59 11.63 o -5 8 4 160.03 190.64 11.05 o -4 8 4 38.43 42.63 6.92 o -3 8 4 432.61 433.38 12.32 o 0 2 5 20.01 26.93 7.31 o 1 2 5 2227.04 2379.67 27.64 o 0 3 5 1270.47 1147.21 17.33 o 1 3 5 414.31 411.97 18.37 o -1 4 5 94.81 88.89 7.41 o 0 4 5 199.14 187.35 13.82 o 1 4 5 1.71 2.80 13.72 o -3 5 5 2.52 8.76 6.38 o -4 6 5 184.06 197.52 10.81 o