#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/06/2010610.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2010610_Fobs loop_ _publ_author_name 'Wang, Meitian' 'Mar, Arthur' _publ_section_title ; High-temperature LaAs~2~ ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 138 _journal_page_last 139 _journal_volume 56 _journal_year 2000 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 134.826 _cell_angle_gamma 90.000 _cell_length_a 12.8642 _cell_length_b 14.4220 _cell_length_c 9.0830 _exptl_crystal_F_000 1968.00 _reflns_d_resolution_high 0.7114 _[local]_cod_data_source_file br1274Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' LaAs2 in Cc lsf final refinement' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1122.02 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' 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 8 0 -12 31212.07 40897.86 5455.68 o 10 0 -12 10452.41 5701.67 2860.70 o 12 0 -12 11484.76 13575.03 3374.03 o 14 0 -12 42032.62 37718.00 4828.54 o 16 0 -12 79935.23 90806.03 7307.37 o 9 1 -12 10157.70 15087.98 2381.92 o 11 1 -12 1250.92 -351.36 1842.21 o 13 1 -12 16903.21 17428.20 4964.98 o 15 1 -12 8410.31 12943.90 2516.12 o 8 2 -12 12863.06 11701.09 2601.58 o 10 2 -12 34854.30 40794.50 8216.60 o 12 2 -12 27950.87 33064.83 3130.14 o 14 2 -12 20982.96 18839.97 2757.98 o 16 2 -12 40018.79 36267.57 3491.80 o 9 3 -12 15837.25 18170.18 4233.94 o 11 3 -12 31696.53 35213.86 4112.02 o 13 3 -12 21778.29 25077.27 2844.07 o 15 3 -12 11153.90 9477.57 4695.71 o 10 4 -12 22258.75 20420.00 2759.42 o 12 4 -12 21948.38 21983.83 5036.41 o 14 4 -12 29225.29 33332.60 6324.45 o 9 5 -12 7985.65 9001.41 2339.56 o 11 5 -12 51568.89 57672.38 5347.53 o 13 5 -12 1161.50 1434.59 1998.31 o 15 5 -12 9539.96 4063.69 3590.25 o 10 6 -12 953.15 1289.09 1740.70 o 12 6 -12 932.30 2524.36 2179.60 o 14 6 -12 4204.20 5955.58 1814.35 o 5 1 -11 1251.12 974.36 2572.33 o 7 1 -11 37800.01 43452.54 3503.65 o 9 1 -11 16734.68 19728.68 4748.18 o 11 1 -11 6251.94 791.71 1999.61 o 13 1 -11 19055.27 19007.62 2507.77 o 15 1 -11 10174.80 7396.83 2426.30 o 17 1 -11 34597.75 35084.88 6119.92 o 6 2 -11 21106.80 23938.60 2945.01 o 8 2 -11 65924.21 72321.02 8779.20 o 10 2 -11 14549.31 12246.26 3622.05 o 12 2 -11 8661.05 8017.81 3846.70 o 14 2 -11 11562.48 9167.82 2315.64 o 16 2 -11 34198.18 35695.66 3786.77 o 5 3 -11 24515.11 29652.17 4652.19 o 7 3 -11 17749.43 17779.53 2867.67 o 9 3 -11 7250.30 8851.55 2623.24 o 11 3 -11 22723.63 20385.77 2808.91 o 13 3 -11 19038.42 15191.77 2301.91 o 15 3 -11 9640.94 13017.74 2176.01 o 17 3 -11 16798.71 14004.40 3133.64 o 6 4 -11 11690.46 14254.19 3423.35 o 8 4 -11 19778.37 24549.30 2908.43 o 10 4 -11 20046.35 16523.65 2649.36 o 12 4 -11 17938.39 15201.60 2601.61 o 14 4 -11 14251.41 16729.22 3207.27 o 16 4 -11 13423.74 11524.54 2581.43 o 7 5 -11 1775.18 5364.49 1869.45 o 9 5 -11 4055.09 4024.55 2008.37 o 11 5 -11 5433.99 10715.77 7325.93 o 13 5 -11 53169.11 52572.72 5389.32 o 15 5 -11 26695.68 23363.78 2853.04 o 6 6 -11 829.83 -376.86 2079.28 o 8 6 -11 30576.98 28904.64 3061.18 o 10 6 -11 177.69 -454.96 1916.25 o 12 6 -11 63054.48 67622.17 4437.52 o 14 6 -11 75675.62 77394.30 4729.94 o 16 6 -11 4803.55 3113.42 2383.71 o 7 7 -11 6429.91 5340.20 2051.73 o 9 7 -11 798.07 -882.14 2621.50 o 11 7 -11 85018.35 80524.23 7035.29 o 13 7 -11 99590.97 104177.04 9283.28 o 15 7 -11 4851.90 6390.18 2446.22 o 8 8 -11 16978.29 19368.37 3015.03 o 10 8 -11 6625.68 4857.21 4861.39 o 12 8 -11 13523.72 21598.37 3167.44 o 14 8 -11 4329.64 5782.56 1783.17 o 9 9 -11 7017.80 5106.97 2582.66 o 11 9 -11 1629.45 728.49 2237.75 o 13 9 -11 14067.22 14036.34 2559.34 o 10 10 -11 33142.65 36404.09 3836.50 o 12 10 -11 10571.42 12075.45 2860.64 o 4 0 -10 36861.98 40077.39 5558.61 o 6 0 -10 22901.58 22226.50 4346.52 o 8 0 -10 65377.43 61360.52 5657.63 o 10 0 -10 177510.77 187464.33 8863.71 o 12 0 -10 43754.29 43351.70 4792.65 o 14 0 -10 36852.48 35278.32 4590.34 o 16 0 -10 7268.10 0.00 2840.16 o 3 1 -10 7050.85 4906.69 2114.39 o 5 1 -10 6977.21 7356.04 2531.24 o 7 1 -10 8877.11 10820.10 1691.42 o 9 1 -10 11390.43 10509.37 3601.48 o 11 1 -10 12454.70 11920.15 1941.73 o 13 1 -10 13216.54 11396.73 2595.45 o 15 1 -10 14716.08 18984.41 2625.27 o 17 1 -10 10504.95 9430.26 2661.81 o 4 2 -10 30994.11 29953.63 3526.27 o 6 2 -10 5415.67 11054.91 1783.41 o 8 2 -10 44319.73 44491.19 3703.54 o 10 2 -10 53842.81 60115.04 3614.25 o 12 2 -10 48994.22 52427.09 3816.54 o 14 2 -10 28162.27 29440.23 2732.54 o 16 2 -10 1594.26 3984.20 3272.22 o 3 3 -10 6980.20 6025.62 2502.04 o 5 3 -10 33976.30 38797.39 3559.15 o 7 3 -10 16001.02 16404.40 2659.41 o 9 3 -10 36888.59 42852.64 3162.44 o 11 3 -10 32786.42 31038.12 3125.47 o 13 3 -10 12307.09 17375.46 2406.44 o 15 3 -10 60789.13 61999.20 8547.09 o 17 3 -10 6265.14 3819.53 2263.75 o 4 4 -10 7967.69 10114.99 2488.16 o 6 4 -10 18775.50 18282.39 2562.06 o 8 4 -10 20230.04 25358.19 2550.36 o 10 4 -10 4244.31 3072.10 2040.99 o 12 4 -10 523.87 -601.16 1588.84 o 14 4 -10 46546.35 45472.38 3614.07 o 16 4 -10 37121.01 36184.39 3432.31 o 3 5 -10 10247.80 9177.03 2659.38 o 5 5 -10 105883.79 113312.59 8166.03 o 7 5 -10 4023.97 4703.07 2138.47 o 9 5 -10 3676.40 4522.22 2819.51 o 11 5 -10 5770.81 4956.36 2086.74 o 13 5 -10 5787.89 7634.41 2356.66 o 15 5 -10 69134.20 69910.56 7828.87 o 17 5 -10 1366.27 4651.32 1787.76 o 4 6 -10 3863.37 5978.34 2016.34 o 6 6 -10 4917.18 6861.82 1992.68 o 8 6 -10 11381.39 7857.98 2376.51 o 10 6 -10 3030.25 4262.35 2888.30 o 12 6 -10 948.67 2524.78 1563.22 o 14 6 -10 2151.17 -663.68 4977.61 o 16 6 -10 10437.31 9087.02 2351.56 o 5 7 -10 72051.24 86856.86 5024.80 o 7 7 -10 4756.49 7129.66 2011.30 o 9 7 -10 18121.71 18428.88 2583.00 o 11 7 -10 8931.75 5809.99 2130.56 o 13 7 -10 2922.77 1324.72 2084.08 o 15 7 -10 38319.82 35610.39 3481.03 o 4 8 -10 21807.35 29861.00 3811.64 o 6 8 -10 4888.83 5268.41 2388.77 o 8 8 -10 5754.65 7232.88 2168.07 o 10 8 -10 4887.33 5081.58 2208.52 o 12 8 -10 3313.03 409.86 2131.71 o 14 8 -10 45068.93 51578.35 4058.79 o 16 8 -10 35603.50 37657.82 3428.95 o 5 9 -10 23514.70 27412.56 8424.64 o 7 9 -10 7716.70 11084.92 2349.79 o 9 9 -10 16231.33 20702.61 3464.58 o 11 9 -10 11314.78 10260.87 3245.82 o 13 9 -10 47087.14 54312.12 8791.31 o 15 9 -10 37313.14 32809.74 3720.07 o 6 10 -10 25387.84 21325.24 4771.22 o 8 10 -10 13445.39 10250.46 2792.81 o 10 10 -10 5303.66 3855.38 2652.25 o 12 10 -10 17663.57 21199.09 2976.87 o 14 10 -10 1571.19 3841.11 1713.75 o 7 11 -10 40257.02 39370.21 3880.57 o 9 11 -10 52.96 130.90 3508.22 o 11 11 -10 31336.47 32118.47 5456.13 o 13 11 -10 859.36 231.30 3360.66 o 8 12 -10 48108.77 62147.85 7176.78 o 10 12 -10 108494.77 102797.39 12135.65 o 12 12 -10 41181.71 49313.29 4266.46 o 1 1 -9 15047.45 17560.39 4322.61 o 3 1 -9 15762.34 18243.20 2622.19 o 5 1 -9 2337.52 4352.30 1491.62 o 7 1 -9 32400.69 37390.86 2841.29 o 9 1 -9 414.55 385.08 2345.49 o 11 1 -9 41782.65 37155.68 3634.73 o 13 1 -9 28463.27 34499.54 2921.22 o 15 1 -9 8064.31 10034.88 2105.63 o 17 1 -9 16069.72 14375.60 2655.96 o 0 2 -9 11703.12 13597.04 3030.42 o 2 2 -9 67950.77 73552.10 7203.44 o 4 2 -9 19925.96 19968.98 2693.96 o 6 2 -9 17479.26 17436.16 2252.29 o 8 2 -9 27713.52 28969.34 2648.09 o 10 2 -9 62474.08 63490.83 3671.71 o 12 2 -9 138299.81 145272.39 5468.74 o 14 2 -9 9216.53 8077.48 2206.55 o 16 2 -9 4445.26 2954.68 2484.45 o 1 3 -9 27122.83 26497.51 4950.07 o 3 3 -9 6044.82 9037.71 1794.94 o 5 3 -9 7777.46 6391.31 2220.83 o 7 3 -9 55640.55 65937.38 7469.20 o 9 3 -9 17501.74 19465.29 2383.75 o 11 3 -9 40437.64 38551.09 2945.60 o 13 3 -9 3501.62 5480.32 1734.55 o 15 3 -9 7745.16 4185.24 4102.79 o 17 3 -9 51555.95 46832.91 4002.05 o 2 4 -9 1395.34 1362.29 1767.53 o 4 4 -9 40965.33 48108.99 3385.27 o 6 4 -9 34009.38 39350.10 3038.86 o 8 4 -9 29413.47 28999.54 2718.74 o 10 4 -9 32132.39 32710.72 3561.11 o 12 4 -9 29222.09 29615.12 2915.40 o 14 4 -9 22543.10 25567.58 4089.64 o 16 4 -9 20750.43 18678.73 2842.37 o 1 5 -9 4337.49 4199.30 5323.64 o 3 5 -9 7954.68 13214.29 2065.94 o 5 5 -9 13522.29 15227.83 1980.99 o 7 5 -9 182662.19 207653.05 6665.04 o 9 5 -9 22918.36 23048.77 2425.53 o 11 5 -9 4935.58 5207.55 1729.52 o 13 5 -9 9600.77 12511.27 1866.72 o 15 5 -9 24672.57 23127.84 7379.92 o 17 5 -9 32183.10 25053.56 3152.53 o 2 6 -9 27511.98 33467.55 3420.52 o 4 6 -9 2741.05 5794.85 1722.40 o 6 6 -9 24702.05 26075.35 2703.81 o 8 6 -9 36109.41 36885.19 3113.04 o 10 6 -9 4369.60 4266.34 1794.03 o 12 6 -9 13458.24 16904.37 3681.20 o 14 6 -9 14280.21 11358.47 2372.60 o 16 6 -9 49374.98 45684.77 4056.52 o 3 7 -9 1225.53 -355.15 3449.50 o 5 7 -9 26860.76 29462.56 2828.78 o 7 7 -9 156333.14 161075.45 6180.30 o 9 7 -9 9012.33 11105.55 2165.92 o 11 7 -9 16491.68 19279.17 2376.77 o 13 7 -9 6515.04 7248.50 1887.79 o 15 7 -9 54074.68 48406.70 4428.67 o 2 8 -9 197.36 -1165.29 2041.30 o 4 8 -9 22480.32 21897.94 2833.22 o 6 8 -9 17597.65 17663.46 2892.77 o 8 8 -9 29847.27 35767.57 3271.39 o 10 8 -9 42645.91 51735.30 7761.89 o 12 8 -9 18150.72 19086.67 3929.66 o 14 8 -9 8950.62 11502.95 2080.29 o 16 8 -9 18409.53 20573.00 2875.82 o 3 9 -9 29068.82 28663.77 3645.60 o 5 9 -9 29510.09 27415.79 2842.70 o 7 9 -9 8537.12 8088.15 5898.31 o 9 9 -9 22993.10 21897.25 4247.86 o 11 9 -9 4284.77 8377.29 2859.10 o 13 9 -9 48051.35 47075.39 6139.61 o 15 9 -9 5148.89 6658.17 2118.65 o 4 10 -9 55417.19 65382.14 4592.58 o 6 10 -9 34303.30 31913.21 5725.63 o 8 10 -9 6556.22 7073.31 2277.56 o 10 10 -9 14014.82 18293.14 5033.13 o 12 10 -9 87700.47 97692.06 4961.05 o 14 10 -9 41299.35 36518.57 3944.65 o 5 11 -9 2388.37 2387.34 2466.95 o 7 11 -9 15.06 192.42 1649.57 o 9 11 -9 369.80 -744.78 1764.07 o 11 11 -9 35467.49 33308.92 3687.24 o 13 11 -9 22793.56 23143.61 3203.39 o 4 12 -9 8545.56 10724.73 2276.60 o 6 12 -9 1996.92 2971.37 2101.82 o 8 12 -9 5414.74 8791.37 2070.63 o 10 12 -9 26497.01 31687.86 3226.47 o 12 12 -9 552.54 -1044.19 3488.68 o 14 12 -9 12982.59 13477.62 3986.06 o 7 13 -9 4158.76 4987.55 2464.61 o 9 13 -9 15729.38 18126.62 2805.06 o 11 13 -9 2083.14 3286.08 1561.00 o 8 14 -9 17863.86 22973.37 2889.18 o 10 14 -9 48808.30 50207.73 4465.07 o -2 0 -8 13304.25 11346.81 3808.58 o 0 0 -8 15652.48 17470.41 3513.82 o 2 0 -8 56030.94 51685.36 5057.47 o 4 0 -8 492130.03 521390.47 13986.69 o 6 0 -8 48021.94 46690.06 4165.21 o 8 0 -8 23541.90 26297.02 3282.19 o 10 0 -8 51.06 -1221.97 1892.08 o 12 0 -8 74686.57 82783.34 5887.52 o 14 0 -8 357247.41 371532.75 12435.64 o 16 0 -8 2767.73 5027.22 2286.89 o -1 1 -8 1251.36 -692.68 1873.70 o 1 1 -8 34583.23 42863.46 7081.96 o 3 1 -8 8550.00 5941.09 2643.68 o 5 1 -8 7327.12 6680.48 1685.20 o 7 1 -8 36935.17 38532.89 2763.64 o 9 1 -8 440.82 -990.54 1468.41 o 11 1 -8 42395.23 44245.87 2974.57 o 13 1 -8 7651.01 4962.96 1725.46 o 15 1 -8 10760.88 7168.33 2663.78 o 17 1 -8 32059.91 29952.88 3380.77 o 0 2 -8 26099.63 25263.70 4713.09 o 2 2 -8 8464.73 8932.26 1676.86 o 4 2 -8 7338.49 7772.25 2110.76 o 6 2 -8 17328.04 14314.93 1958.66 o 8 2 -8 74764.65 78137.36 3781.32 o 10 2 -8 44643.18 49095.59 4995.73 o 12 2 -8 10209.01 12800.13 1876.75 o 14 2 -8 72709.73 81459.01 7460.74 o 16 2 -8 4744.60 3103.70 2071.46 o -1 3 -8 16577.02 16816.27 3247.34 o 1 3 -8 21895.17 23004.89 2485.37 o 3 3 -8 16107.78 14675.38 3376.56 o 5 3 -8 15810.49 16898.20 2695.64 o 7 3 -8 51511.25 61042.43 3282.90 o 9 3 -8 57275.57 62815.98 3453.45 o 11 3 -8 51767.81 58499.93 3358.40 o 13 3 -8 17974.88 18614.79 2192.45 o 15 3 -8 11858.59 11486.19 2010.39 o 17 3 -8 28630.19 30370.59 2836.92 o 0 4 -8 8392.76 7206.22 5089.22 o 2 4 -8 7090.40 7700.53 2376.79 o 4 4 -8 11915.29 14855.40 4717.18 o 6 4 -8 3596.92 2898.56 1482.50 o 8 4 -8 15856.99 15734.38 3416.72 o 10 4 -8 119106.73 132033.06 4986.33 o 12 4 -8 2276.92 3898.46 1524.10 o 14 4 -8 3690.85 2096.31 1864.00 o 16 4 -8 8682.24 8798.87 2880.02 o -1 5 -8 73684.20 79503.11 4684.64 o 1 5 -8 583.57 1258.31 2739.72 o 3 5 -8 15370.07 18180.87 2248.54 o 5 5 -8 29345.49 31025.27 2596.04 o 7 5 -8 7977.93 7779.77 1728.35 o 9 5 -8 128675.51 136365.25 4911.99 o 11 5 -8 4098.10 3536.31 1378.50 o 13 5 -8 26850.78 27065.41 3756.07 o 15 5 -8 16184.28 15581.70 2606.45 o 17 5 -8 14698.63 15608.65 2940.76 o 0 6 -8 9083.58 10638.65 2055.82 o 2 6 -8 7283.27 6562.88 1854.09 o 4 6 -8 1011.62 504.31 1376.95 o 6 6 -8 11459.84 13589.59 1860.11 o 8 6 -8 15630.90 17715.79 2258.86 o 10 6 -8 16326.41 12448.81 2316.03 o 12 6 -8 4053.69 4649.35 1589.31 o 14 6 -8 2227.55 2336.69 1425.25 o 16 6 -8 6914.97 6812.52 2494.75 o 1 7 -8 11410.34 10171.94 2466.76 o 3 7 -8 8578.84 11255.91 1964.95 o 5 7 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2883.74 o 14 10 -8 20215.91 24413.98 2950.44 o 1 11 -8 27462.97 27268.09 3420.16 o 3 11 -8 1401.73 548.38 1807.41 o 5 11 -8 18236.56 14611.14 3830.82 o 7 11 -8 6625.03 9519.77 1759.21 o 9 11 -8 2491.58 4606.17 1592.45 o 11 11 -8 64830.91 73913.55 4404.93 o 13 11 -8 448.47 698.63 1293.64 o 15 11 -8 46199.02 43499.61 3982.05 o 2 12 -8 14617.29 16193.90 5654.47 o 4 12 -8 123485.18 125964.70 13147.05 o 6 12 -8 35788.15 36441.03 3278.40 o 8 12 -8 2962.52 4546.35 1726.19 o 10 12 -8 13006.54 17965.62 2420.58 o 12 12 -8 29689.62 34387.30 3470.86 o 14 12 -8 99175.56 91916.23 7957.46 o 3 13 -8 15058.21 11658.37 3473.75 o 5 13 -8 3356.77 4553.12 2139.58 o 7 13 -8 50099.37 50801.00 12023.74 o 9 13 -8 2427.09 4277.32 1891.95 o 11 13 -8 581.73 2384.93 1909.39 o 13 13 -8 14642.73 14967.33 2940.73 o 4 14 -8 13326.07 21029.26 4380.93 o 6 14 -8 22996.59 26871.94 5679.02 o 8 14 -8 25999.66 25384.98 3202.54 o 10 14 -8 15781.46 15624.46 4559.77 o 12 14 -8 44993.74 44295.58 3951.53 o 5 15 -8 5657.94 3995.59 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