#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/54/2215468.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_2215468_Fobs loop_ _publ_author_name 'Lee, Chang-Ho' 'Jang, Gyung-Joo' 'Yun, Hoseop' _publ_section_title ; Stoichiometric ZrGeTe~4~ ; _journal_coeditor_code FI2044 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i183 _journal_volume 63 _journal_year 2007 _space_group_IT_number 36 _symmetry_space_group_name_Hall 'C 2c -2' _symmetry_space_group_name_H-M 'C m c 21' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 3.9794 _cell_length_b 15.9296 _cell_length_c 10.9957 _exptl_crystal_F_000 1119.77 _reflns_d_resolution_high 0.7706 _[local]_cod_data_source_file fi2044Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' N-24 (L-35 again) with IBERS HfGeTe4 COORDINATE, 150K' _shelx_refln_list_code 4 _shelx_f_calc_maximum 779.10 _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, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, -y+1/2, 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 1 1 -13 7541.29 6415.64 775.11 o 0 2 -13 17671.82 15290.50 1907.96 o 2 2 -13 14557.18 12949.54 1481.16 o 1 3 -13 24144.36 19767.55 2474.66 o 0 4 -13 6751.40 5781.05 798.14 o 1 5 -13 5269.20 4268.72 451.49 o 0 6 -13 7158.65 5706.42 783.17 o 1 7 -13 9992.53 8179.82 801.14 o 0 8 -13 22211.43 17594.23 2417.33 o 2 0 -12 4273.38 3976.25 409.89 o 1 1 -12 11563.59 10460.14 1218.52 o 0 2 -12 38702.83 32181.41 4355.41 o 2 2 -12 31022.39 27065.38 3254.72 o 1 3 -12 21290.76 18744.59 2468.44 o 0 4 -12 1298.00 1205.15 290.35 o 2 4 -12 1029.67 1026.15 227.59 o 1 5 -12 59763.26 51839.84 5202.35 o 0 6 -12 24211.72 20639.53 2685.71 o 2 6 -12 19405.26 16766.52 1483.76 o 1 7 -12 1419.05 1487.08 223.53 o 1 9 -12 12278.07 11471.58 1210.34 o 0 10 -12 3941.48 4465.37 672.35 o 1 1 -11 8494.79 7968.36 601.18 o 0 2 -11 41525.20 35534.11 4600.82 o 2 2 -11 33100.09 31411.21 3859.37 o 1 3 -11 1163.44 1014.31 158.19 o 3 3 -11 879.23 908.76 226.34 o 0 4 -11 8582.09 7145.52 900.25 o 2 4 -11 6703.41 5815.93 511.90 o 1 5 -11 8109.28 7670.20 723.89 o 3 5 -11 5529.62 4247.74 397.19 o 0 6 -11 96380.20 82483.74 12263.65 o 2 6 -11 76929.13 71354.57 7269.16 o 1 7 -11 8844.00 8632.52 834.42 o 0 8 -11 539.91 683.66 143.54 o 2 8 -11 424.08 462.38 142.80 o 1 9 -11 32652.57 31045.30 2693.11 o 0 10 -11 24772.39 26078.44 3798.06 o 2 10 -11 19956.40 17082.18 1314.33 o 1 11 -11 38.00 205.42 74.41 o 0 12 -11 10784.60 11332.98 1516.50 o 0 0 -10 29138.19 26965.78 3234.89 o 2 0 -10 22379.19 21392.92 2346.29 o 1 1 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34306.18 2389.55 o 3 3 -8 20346.43 18962.85 1577.99 o 0 4 -8 19638.34 21507.36 2229.41 o 2 4 -8 14795.26 14147.93 1120.89 o 4 4 -8 7564.31 7017.87 626.56 o 1 5 -8 91174.04 86965.40 7222.92 o 3 5 -8 54477.61 52524.45 5081.86 o 0 6 -8 66915.44 69783.83 6720.81 o 2 6 -8 50480.27 46525.74 3589.24 o 4 6 -8 25480.32 22031.77 2897.40 o 1 7 -8 5917.89 6435.32 469.72 o 3 7 -8 3852.56 3643.22 391.26 o 0 8 -8 26344.72 26973.54 2657.29 o 2 8 -8 20263.74 17701.28 1271.58 o 1 9 -8 4369.65 4621.60 289.43 o 3 9 -8 2470.51 2231.09 309.68 o 0 10 -8 27925.36 28302.14 2493.71 o 2 10 -8 21956.78 18948.13 1395.40 o 1 11 -8 1295.39 1281.43 138.45 o 3 11 -8 893.60 912.99 171.60 o 0 12 -8 444.94 454.10 123.37 o 2 12 -8 360.94 332.62 166.48 o 1 13 -8 19915.52 19621.31 1262.80 o 0 14 -8 4806.93 4800.00 479.40 o 2 14 -8 3955.48 3537.24 368.06 o 1 15 -8 9417.32 9330.24 613.36 o 0 16 -8 24309.79 24184.46 2265.42 o 1 1 -7 66029.78 71792.10 4566.67 o 3 1 -7 37699.36 36035.09 2460.60 o 0 2 -7 62512.86 61535.50 7884.42 o 2 2 -7 45413.76 46873.98 3162.09 o 4 2 -7 22222.38 20606.88 1799.74 o 1 3 -7 9087.96 8803.30 576.53 o 3 3 -7 4933.87 4757.57 512.55 o 0 4 -7 31669.97 32625.22 2778.59 o 2 4 -7 22998.41 20945.24 1706.15 o 4 4 -7 10929.72 10165.14 893.34 o 1 5 -7 14456.89 13744.69 977.02 o 3 5 -7 8198.93 7428.28 651.30 o 0 6 -7 70180.24 71839.13 6737.89 o 2 6 -7 52006.13 47405.38 3561.72 o 4 6 -7 25373.82 23079.74 2100.61 o 1 7 -7 24414.70 24944.31 1449.40 o 3 7 -7 14564.88 12693.53 1095.95 o 0 8 -7 13033.27 13331.21 1105.65 o 2 8 -7 9823.39 8690.24 667.02 o 4 8 -7 5021.18 4590.42 508.95 o 1 9 -7 30742.42 31667.04 1927.49 o 3 9 -7 18680.36 16613.46 1665.25 o 0 10 -7 62575.38 60590.45 5899.29 o 2 10 -7 47936.85 47063.92 3914.20 o 1 11 -7 8001.83 7257.12 456.11 o 3 11 -7 5052.06 4039.77 366.40 o 0 12 -7 25448.41 23673.68 2152.65 o 2 12 -7 19838.09 18800.04 1129.56 o 1 13 -7 6685.89 5738.97 388.43 o 3 13 -7 4430.56 3537.71 439.08 o 0 14 -7 17713.83 16362.74 1472.94 o 2 14 -7 14029.32 12424.73 1078.63 o 1 15 -7 2221.30 2108.87 181.51 o 0 16 -7 9568.51 9475.82 889.54 o 2 16 -7 7861.53 7537.52 855.75 o 1 17 -7 27321.02 26179.01 1746.49 o 0 18 -7 14897.97 14695.01 1468.63 o 0 0 -6 22905.33 21012.35 2194.74 o 2 0 -6 15816.66 15754.47 1126.92 o 4 0 -6 6980.91 6601.35 721.34 o 1 1 -6 43785.31 46694.11 2742.39 o 3 1 -6 23703.57 22964.41 1487.65 o 0 2 -6 29712.78 31129.80 2483.98 o 2 2 -6 20756.78 20442.30 1242.17 o 4 2 -6 9177.86 8698.70 841.84 o 1 3 -6 15153.52 14520.71 910.70 o 3 3 -6 7923.12 7166.46 592.42 o 0 4 -6 74002.05 75132.91 6771.30 o 2 4 -6 53045.39 49381.70 3599.81 o 4 4 -6 25449.09 23736.06 2096.93 o 1 5 -6 2183.57 2469.28 154.68 o 3 5 -6 1163.65 1078.91 188.63 o 0 6 -6 54702.67 55891.36 5072.90 o 2 6 -6 39462.57 35068.33 2514.13 o 4 6 -6 18474.12 16616.98 1530.50 o 1 7 -6 83467.30 84725.71 5796.11 o 3 7 -6 47574.72 41211.24 3837.78 o 0 8 -6 4238.73 4258.24 354.46 o 2 8 -6 3165.33 2956.48 270.79 o 4 8 -6 1575.82 1570.66 304.10 o 1 9 -6 127259.59 126700.59 9366.71 o 3 9 -6 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13 -4 5094.03 4688.81 284.18 o 3 13 -4 3054.39 2791.71 273.46 o 0 14 -4 132.89 490.62 104.10 o 2 14 -4 99.80 114.54 83.52 o 1 15 -4 10039.54 9147.53 514.07 o 3 15 -4 6262.54 6349.52 616.99 o 0 16 -4 19193.35 17850.29 1560.20 o 2 16 -4 15149.60 13195.25 1392.81 o 1 17 -4 2088.40 1963.68 172.63 o 0 18 -4 21030.89 20863.64 2682.12 o 2 18 -4 17085.25 15751.78 1801.24 o 1 19 -4 1563.60 1530.01 195.11 o 1 1 -3 81827.00 85233.62 4717.16 o 3 1 -3 38167.99 35977.07 2144.80 o 5 1 -3 15697.14 14764.15 1708.58 o 0 2 -3 30529.42 32825.50 2511.51 o 2 2 -3 18723.16 16104.97 1210.64 o 4 2 -3 8047.70 7936.68 416.79 o 1 3 -3 90460.12 87161.72 13724.94 o 3 3 -3 42937.27 40836.07 2823.76 o 0 4 -3 49159.07 46310.25 4254.67 o 2 4 -3 31194.83 29690.07 4204.34 o 4 4 -3 12928.54 12515.28 662.07 o 1 5 -3 75341.22 71052.96 6932.99 o 3 5 -3 37155.80 35841.18 2068.89 o 0 6 -3 6818.64 6071.08 338.79 o 2 6 -3 4598.83 4578.63 204.64 o 4 6 -3 1757.78 1763.62 285.48 o 1 7 -3 43130.33 40079.54 2046.25 o 3 7 -3 23158.17 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10 11 25757.99 28727.29 2129.99 o 2 10 11 20839.46 22012.92 1325.62 o 1 11 11 80.17 64.11 83.58 o 0 12 11 10884.58 12554.91 917.88 o 0 0 12 4266.57 4412.37 430.05 o 2 0 12 3387.01 3333.47 428.35 o 1 1 12 11976.50 12551.01 572.37 o 0 2 12 36564.60 37287.59 2418.76 o 2 2 12 29143.92 28895.71 1528.03 o 1 3 12 22428.10 22866.78 1072.00 o 0 4 12 1668.21 1875.67 182.23 o 2 4 12 1352.12 1503.12 116.96 o 1 5 12 60864.54 58893.78 2679.99 o 0 6 12 24842.87 25341.58 1462.07 o 2 6 12 19937.38 19114.37 930.64 o 1 7 12 1072.66 1057.86 94.45 o 0 8 12 6361.39 6021.69 445.94 o 1 9 12 12208.13 12713.88 818.04 o 0 10 12 3966.38 4122.13 303.71 o 1 1 13 7530.46 7467.29 393.57 o 0 2 13 17420.66 17913.03 1154.27 o 2 2 13 14341.15 14314.70 909.90 o 1 3 13 24399.25 23463.86 1002.91 o 0 4 13 6822.77 7032.66 435.66 o 1 5 13 5345.97 4857.80 235.28 o 0 6 13 6200.74 5795.15 416.12 o 1 7 13 10180.19 9508.42 524.21 o 0 8 13 23012.71 23537.73 1588.78 o 0 0 14 11369.29 10854.09 1011.05 o 0 2 14 19873.30 19123.28 1312.54 o 0 4 14 16184.17 16629.60 1727.13 o