#------------------------------------------------------------------------------ #$Date: 2023-04-11 18:58:06 +0300 (Tue, 11 Apr 2023) $ #$Revision: 282570 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/3/00/03/3000356.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_3000356 _diffrn_ambient_pressure 100 _diffrn_ambient_temperature 90 _diffrn_radiation_polarisn_ratio 0.9900 _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 0.39360 _pd_meas_2theta_range_inc 0.00960 _pd_meas_2theta_range_max 27.49040 _pd_meas_2theta_range_min 3.50000 _pd_proc_2theta_range_inc 0.00960 _pd_proc_2theta_range_max 27.49112 _pd_proc_2theta_range_min 3.50072 _pd_proc_ls_background_function ; Background function: "chebyschev-1" function with 8 terms: 161937.957, 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86740.395 86620.183 85898.325 0.00001152865 86815.527 86702.639 85868.467 0.00001151868 87852.376 86890.751 85838.551 0.00001138273 88235.51 87271.67 85808.578 0.00001133331 89282.762 87965.935 85778.548 0.00001120037 90411.152 89104.683 85748.462 0.00001106058 92389.528 90776.417 85718.319 0.00001082374 94142.293 92952.589 85688.12 0.00001062222 97147.802 95443.183 85657.866 0.00001029359 99492.236 97872.147 85627.557 0.00001005104 102125.828 99756.622 85597.193 0.00000979184 102764.61 100679.526 85566.775 0.00000973098 102685.308 100535.718 85536.304 0.00000973849 102014.118 99596.915 85505.779 0.00000980256 99555.93 98269.996 85475.201 0.00001004461 98170.662 96849.053 85444.571 0.00001018634 96059.476 95427.183 85413.889 0.00001041022 94378.208 93964.775 85383.156 0.00001059567 92373.227 92439.025 85352.372 0.00001082565 90651.633 90918.4 85321.537 0.00001103124 89165.675 89516.189 85290.653 0.00001121508 88377.063 88331.49 85259.719 0.00001131515 87848.667 87418.483 85228.737 0.00001138321 87379.982 86776.355 85197.707 0.00001144427 87347.321 86361.088 85166.629 0.00001144855 86908.649 86109.768 85135.504 0.00001150633 87419.53 85962.875 85104.332 0.00001143909 87012.12 85875.674 85073.115 0.00001149265 87107.124 85820.088 85041.852 0.00001148012 87328.343 85780.818 85010.545 0.00001145104 87200.804 85750.448 84979.194 0.00001146778 87803.208 85725.697 84947.8 0.00001138911 87010.523 85705.192 84916.363 0.00001149286 87557.098 85688.366 84884.884 0.00001142112 87481.9 85674.991 84853.364 0.00001143094 87632.644 85665.017 84821.803 0.00001141127 87517.273 85658.486 84790.203 0.00001142632 87610.94 85655.525 84758.563 0.0000114141 87545.151 85656.342 84726.884 0.00001142268 87546.587 85661.207 84695.168 0.00001142249 87665.229 85668.85 84663.416 0.00001140703 87540.305 85682.982 84631.626 0.00001142331 87817.958 85702.52 84599.802 0.00001138719 87714.648 85728.13 84567.943 0.0000114006 87751.475 85760.622 84536.05 0.00001139582 87542.803 85800.997 84504.124 0.00001142298 88060.185 85850.409 84472.166 0.00001135587 88113.199 85910.329 84440.176 0.00001134904 87833.582 85982.54 84408.156 0.00001138517 88409.025 86069.247 84376.107 0.00001131106 88156.837 86173.199 84344.028 0.00001134342 88430.41 86297.912 84311.922 0.00001130833 88413.591 86447.9 84279.789 0.00001131048 88998.704 86629.57 84247.63 0.00001123612 89298.316 86853.215 84215.445 0.00001119842 89687.766 87138.591 84183.237 0.00001114979 90611.358 87529.384 84151.005 0.00001103614 91620.338 88126.841 84118.751 0.00001091461 93127.348 89156.128 84086.476 0.00001073798 96109.413 91077.959 84054.18 0.00001040481 100779.494 94728.567 84021.866 0.00000992265 109426.377 101418.679 83989.533 0.00000913856 122027.634 112850.852 83957.182 0.00000819487 140708.586 130699.805 83924.816 0.00000710689 169594.132 155778.965 83892.434 0.00000589643 201584.05 187084.106 83860.039 0.00000496071 241587.406 221111.953 83827.63 0.00000413929 276284.985 252014.48 83795.21 0.00000361945 300451.104 272919.909 83762.779 0.00000332833 297641.224 278863.659 83730.338 0.00000335975 287240.044 270461.993 83697.889 0.00000348141 260961.077 254384.153 83665.433 0.00000383199 234397.39 239631.498 83632.97 0.00000426626 232174.647 233518.421 83600.503 0.0000043071 236297.496 239112.965 83568.031 0.00000423195 255581.165 254224.335 83535.558 0.00000391265 282221.031 272073.759 83503.083 0.00000354332 287194.687 283567.652 83470.608 0.00000348196 291844.892 281067.061 83438.134 0.00000342648 267136.298 262593.695 83405.663 0.00000374341 234129.379 232376.931 83373.196 0.00000427114 194844.123 197409.086 83340.733 0.00000513231 159912.959 164104.483 83308.277 0.0000062534 133750.97 136635.553 83275.829 0.00000747658 116116.31 116579.4 83243.39 0.00000861205 106206.508 103415.705 83210.962 0.00000941562 98590.979 95540.425 83178.545 0.00001014292 95968.166 91160.43 83146.142 0.00001042012 93057.084 88821.232 83113.753 0.00001074609 92155.998 87557.866 83081.381 0.00001085117 90913.354 86822.029 83049.026 0.00001099948 90158.575 86337.771 83016.69 0.00001109157 90069.863 85979.302 82984.375 0.00001110249 89030.51 85692.092 82952.081 0.0000112321 89479.895 85452.003 82919.811 0.00001117569 88330.49 85246.968 82887.566 0.00001132112 89010.755 85069.946 82855.348 0.0000112346 88187.159 84915.968 82823.158 0.00001133952 88490.869 84781.35 82790.998 0.0000113006 88418.004 84663.237 82758.868 0.00001130991 87915.005 84559.367 82726.772 0.00001137462 88424.263 84467.952 82694.71 0.00001130911 87582.474 84387.571 82662.685 0.00001141781 88372.515 84317.13 82630.697 0.00001131574 87552.09 84255.742 82598.749 0.00001142177 88182.303 84202.745 82566.842 0.00001134014 87955.437 84157.643 82534.978 0.00001136939 87655.857 84120.105 82503.158 0.00001140825 88031.845 84089.953 82471.385 0.00001135953 87731.718 84067.161 82439.66 0.00001139839 88121.231 84051.83 82407.985 0.000011348 87683.434 84044.052 82376.362 0.00001140466 88759.897 84044.654 82344.792 0.00001126635 88026.192 84054.204 82313.278 0.00001136026 88264.539 84074.002 82281.821 0.00001132958 88289.543 84106.603 82250.423 0.00001132637 88177.949 84157.53 82219.086 0.0000113407 88735.307 84239.186 82187.811 0.00001126947 88843.373 84378.272 82156.602 0.00001125576 89353.487 84627.546 82125.459 0.00001119151 89936.745 85079.888 82094.385 0.00001111893 91291.947 85876.487 82063.382 0.00001095387 93840.729 87194.861 82032.451 0.00001065635 96113.274 89201.528 82001.595 0.00001040439 100952.554 91967.732 81970.816 0.00000990564 106213.609 95367.499 81940.115 0.00000941499 112330.079 99016.853 81909.495 0.00000890234 118434.614 102285.924 81878.958 0.00000844348 120718.003 104426.689 81848.507 0.00000828377 121739.535 104857.039 81818.142 0.00000821426 117087.258 103516.233 81787.867 0.00000854064 112383.975 100917.594 81757.683 0.00000889807 105522.481 97824.243 81727.593 0.00000947665 100921.483 94940.522 81697.598 0.00000990869 97664.452 92775.558 81667.702 0.00001023914 95227.301 91656.386 81637.906 0.00001050119 96350.423 91882.51 81608.212 0.00001037878 97609.044 94002.813 81578.624 0.00001024495 103614.445 99169.827 81549.143 0.00000965116 113536.64 109447.583 81519.771 0.00000880773 133063.368 127868.216 81490.511 0.00000751522 159198.585 157934.548 81461.365 0.00000628146 208634.829 202367.625 81432.336 0.00000479306 269561.996 261172.345 81403.425 0.00000370972 346014.434 329890.26 81374.636 0.00000289005 421542.782 398801.84 81345.971 0.00000237224 477795.451 453998.452 81317.433 0.00000209295 502848.673 480960.696 81289.023 0.00000198867 466729.534 471229.77 81260.744 0.00000214257 413832.503 428062.197 81232.6 0.00000241644 332195.763 364134.933 81204.592 0.00000301027 255155.995 294314.268 81176.722 0.00000391917 196135.296 230630.424 81148.995 0.00000509852 157952.569 180197.856 81121.411 0.00000633101 138285.673 145294.171 81093.974 0.00000723141 129548.804 124954.083 81066.687 0.0000077191 129796.65 117145.056 81039.552 0.00000770436 136640.215 120431.617 81012.572 0.00000731849 151547.129 134670.553 80985.749 0.00000659861 174287.042 160499.184 80959.087 0.00000573766 204298.224 197952.176 80932.588 0.00000489481 244053.602 244793.816 80906.254 0.00000409746 287465.195 295366.522 80880.089 0.00000347868 330848.8 340636.13 80854.096 0.00000302253 355603.33 369800.884 80828.277 0.00000281212 368981.828 374232.205 80802.636 0.00000271016 348276.951 352488.768 80777.174 0.00000287128 313148.621 311421.114 80751.896 0.00000319337 266950.197 261844.649 80726.804 0.00000374602 214612.786 214018.621 80701.9 0.00000465955 181843.668 175443.741 80677.189 0.00000549923 154962.744 150214.465 80652.673 0.00000645316 146529.248 139606.628 80628.354 0.00000682458 152018.848 142998.527 80604.237 0.00000657813 166924.012 158490.292 80580.324 0.00000599075 194750.939 182926.167 80556.618 0.00000513476 224091.287 211640.829 80533.123 0.00000446247 251807.59 238431.371 80509.841 0.00000397129 269581.689 256379.191 80486.776 0.00000370945 272549.488 259854.171 80463.931 0.00000366906 253744.541 247451.427 80441.31 0.00000394097 221639.986 222855.224 80418.914 0.00000451182 184387.356 192331.081 80396.748 0.00000542337 154499.255 161907.535 80374.816 0.00000647252 126755.845 135794.764 80353.12 0.00000788918 111408.097 115952.743 80331.663 0.00000897601 100190.99 102395.229 80310.449 0.00000998094 94511.579 93956.085 80289.482 0.00001058071 90907.164 89092.585 80268.765 0.00001100023 89174.981 86436.135 80248.301 0.00001121391 87914.467 85007.721 80228.094 0.00001137469 87065.581 84214.544 80208.148 0.00001148559 86448.141 83737.568 80188.465 0.00001156763 86039.281 83427.815 80169.049 0.0000116226 85576.652 83207.165 80149.905 0.00001168543 85287.13 83032.835 80131.035 0.0000117251 85125.571 82873.97 80112.443 0.00001174735 85055.135 82706.555 80094.133 0.00001175708 85025.96 82517.929 80076.109 0.00001176111 84448.091 82310.488 80058.374 0.00001184159 84289.507 82096.921 80040.932 0.00001186387 84238.281 81891.859 80023.786 0.00001187109 83841.656 81706.559 80006.941 0.00001192725 84173.765 81546.766 79990.401 0.00001188019 83704.787 81412.804 79974.168 0.00001194675 83505.91 81301.34 79958.248 0.0000119752 83989.747 81207.526 79942.643 0.00001190622 83616.387 81126.718 79927.358 0.00001195938 83435.289 81055.348 79912.397 0.00001198534 83630.688 80991.054 79897.764 0.00001195733 83276.798 80932.519 79883.462 0.00001200815 83280.41 80879.169 79869.497 0.00001200763 83292.152 80830.946 79855.871 0.00001200593 83193.693 80788.057 79842.589 0.00001202014 83221.22 80750.739 79829.654 0.00001201617 83045.982 80718.86 79817.073 0.00001204152 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 1 1 0 2595.5658 2519.1879 -0.0 3.23305 100.00 1 0 1 1447.9945 1439.4763 -0.0 2.42891 59.53 2 0 0 577.0871 611.7182 -0.0 2.28611 11.13 1 1 1 445.0574 383.2066 180.0 2.14502 14.45 2 1 0 141.2109 109.9460 0.0 2.04476 4.36 2 1 1 1846.2748 1739.1732 -0.0 1.66472 73.64 2 2 0 2634.0512 2334.9577 -0.0 1.61652 25.45 3 1 0 961.8865 1015.5102 -0.0 1.44586 14.89 0 0 2 2146.0507 2296.8480 -0.0 1.43345 7.54 2 2 1 17.9819 14.4300 180.0 1.40810 0.26 3 0 1 1868.0732 1790.6763 -0.0 1.34573 24.63 1 1 2 1085.3692 1110.9322 -0.0 1.31042 12.93 3 1 1 47.2235 54.0233 0.0 1.29097 1.15 3 2 0 14.2510 16.2130 180.0 1.26811 0.17 2 0 2 405.9845 463.0853 -0.0 1.21445 4.20 2 1 2 40.4262 27.9700 0.0 1.17376 0.78 3 2 1 525.8632 530.2961 -0.0 1.15972 10.37 4 0 0 1095.0985 1101.7321 -0.0 1.14305 5.32 4 1 0 105.5376 67.9934 180.0 1.10893 0.96 3 3 0 1190.1982 1074.7534 -0.0 1.07768 5.14 2 2 2 1156.3331 1150.3170 -0.0 1.07251 9.46 4 1 1 661.9204 655.5593 -0.0 1.03425 10.43 4 2 0 551.7700 544.8725 -0.0 1.02238 4.30 3 1 2 563.7284 597.9082 -0.0 1.01796 8.36 3 3 1 13.1472 12.9797 180.0 1.00876 0.10 4 2 1 11.8354 14.7278 0.0 0.96298 0.16 3 2 2 8.5179 7.4563 180.0 0.94979 0.11 1 0 3 413.1344 488.9717 -0.0 0.93542 2.50 1 1 3 53.9989 46.0932 180.0 0.91644 0.31 4 3 0 21.4002 19.2372 0.0 0.91444 0.13 5 1 0 726.1528 637.5627 -0.0 0.89669 4.36 4 0 2 726.1763 685.3615 -0.0 0.89370 4.20 4 1 2 63.5805 37.0094 180.0 0.87710 0.71 4 3 1 627.4652 614.8550 -0.0 0.87120 7.07 5 0 1 253.6321 248.5349 -0.0 0.87120 1.43 2 1 3 598.3370 580.4256 -0.0 0.86575 6.29 3 3 2 734.5844 688.1495 -0.0 0.86140 3.96 5 1 1 1.8184 0.9257 180.0 0.85580 0.02 5 2 0 1.0393 0.2862 0.0 0.84904 0.01 4 2 2 372.1386 371.8176 -0.0 0.83236 3.76