#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:34:31 +0300 (Thu, 24 May 2018) $ #$Revision: 737 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000241.rod $ #------------------------------------------------------------------------------ # # This file is available in the Raman Open Database (ROD), # http://solsa.crystallography.net/rod/ # # All data on this site have been placed in the public domain by the # contributors. # data_1000241 loop_ _publ_author_name 'Lam, A. E.' 'Groat, L. A.' 'Ercit, T. S.' _publ_section_title ; The crystal structure of dugganite, Pb3Zn3TeAs2O14 ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 823 _journal_page_last 830 _journal_volume 36 _journal_year 1998 _chemical_compound_source R060498 _chemical_formula_sum 'As6 O18 Pb3 Te Zn3' _chemical_name_mineral Dugganite _space_group_IT_number 150 _symmetry_space_group_name_Hall 'P 3 2"' _symmetry_space_group_name_H-M 'P 3 2 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 8.460 _cell_length_b 8.460 _cell_length_c 5.206 _cell_volume 322.683 _exptl_crystal_density_diffrn 8.660 _cod_original_formula_sum 'Te As6 Pb3 Zn3 O18' _cod_database_code 9004474 _raman_determination_method experimental _raman_measurement_device.location 'Arizona University' _raman_measurement_device.company 'Thermo Scientific' _raman_measurement_device.model 'Nicolet Almega XR' _raman_measurement_device.optics_type microscope _raman_measurement_device.microscope_system dispersive _raman_measurement_device.microscope_objective_magnification 50 _raman_measurement_device.microscope_numerical_aperture 0.5 _raman_measurement_device.excitation_laser_type other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _raman_measurement_device.direction_polarization unoriented _raman_measurement_device.spot_size 1 _raman_measurement_device.diffraction_grating 400 _raman_measurement.environment Air _raman_measurement.environment_details ; The sample was measured in air. ; _raman_measurement.temperature 300 _raman_measurement.pressure 100 _raman_measurement.background_subtraction no _raman_measurement.background_subtraction_details ; No background subtraction method was applied. ; _raman_measurement.baseline_correction no _raman_measurement.baseline_correction_details ; No baseline correction method was applied. ; _raman_measurement.integration_time 10 _rod_data_source.file R060498.rod _rod_data_source.block 3500000 _rod_database.code 1000241 loop_ _raman_complementary.id _raman_complementary.method 1 XRD loop_ _raman_measurement_device_calibration.id _raman_measurement_device_calibration.standard 1 neon_lamp loop_ _rod_related_entry.id _rod_related_entry.code _rod_related_entry.database _rod_related_entry.uri _rod_related_entry.description 1 9004474 COD http://www.crystallography.net/cod/9004474.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 89.78320 0.0000000E+00 90.26532 213.6816 90.74744 385.0244 91.22955 478.8877 91.71167 528.6064 92.19379 563.4385 92.67590 580.3936 93.15802 582.6982 93.64014 576.4873 94.12225 559.1572 94.60437 535.4131 95.08649 509.6230 95.56860 478.6748 96.05072 455.6274 96.53284 463.2339 97.01495 502.5078 97.49707 529.1909 97.97919 524.0527 98.46130 477.7505 98.94342 412.8091 99.42554 343.6973 99.90765 285.7046 100.3898 243.8745 100.8719 208.7739 101.3540 167.5654 101.8361 117.7661 102.3182 69.52930 102.8004 27.51807 103.2825 6.943359 103.7646 32.04297 104.2467 47.00586 104.7288 52.94385 105.2109 52.72656 105.6931 48.45996 106.1752 35.12256 106.6573 9.969238 107.1394 32.16113 107.6215 77.41602 108.1036 131.1914 108.5858 190.3008 109.0679 235.4424 109.5500 254.9048 110.0321 270.0630 110.5142 292.2109 110.9963 327.5132 111.4785 363.0845 111.9606 396.8218 112.4427 428.9131 112.9248 463.3486 113.4069 503.3169 113.8890 544.5093 114.3712 583.8745 114.8533 617.6523 115.3354 652.1333 115.8175 691.8389 116.2996 738.3760 116.7817 777.7705 117.2639 801.6899 117.7460 816.9824 118.2281 832.2832 118.7102 853.9658 119.1923 874.7534 119.6744 888.5820 120.1566 893.0967 120.6387 897.7974 121.1208 908.7642 121.6029 923.8628 122.0850 938.9976 122.5671 947.7461 123.0493 956.9185 123.5314 975.4067 124.0135 1008.197 124.4956 1040.790 124.9777 1058.078 125.4598 1062.448 125.9420 1063.232 126.4241 1065.519 126.9062 1068.292 127.3883 1069.481 127.8704 1067.519 128.3525 1065.263 128.8347 1067.352 129.3168 1073.603 129.7989 1081.213 130.2810 1089.916 130.7631 1098.691 131.2452 1103.223 131.7274 1101.272 132.2095 1095.027 132.6916 1090.551 133.1737 1088.144 133.6558 1085.465 134.1379 1079.180 134.6201 1069.484 135.1022 1061.501 135.5843 1057.927 136.0664 1057.801 136.5485 1053.492 137.0306 1043.724 137.5128 1032.632 137.9949 1024.734 138.4770 1020.343 138.9591 1017.056 139.4412 1014.418 139.9233 1012.581 140.4055 1008.665 140.8876 1002.974 141.3697 994.6528 141.8518 981.3672 142.3339 960.6812 142.8160 940.1079 143.2982 921.6108 143.7803 904.4546 144.2624 892.9912 144.7445 890.6577 145.2266 892.9131 145.7087 889.7349 146.1909 877.7573 146.6730 864.7524 147.1551 853.1943 147.6372 852.9253 148.1193 855.3784 148.6014 861.5786 149.0836 870.4526 149.5657 878.0430 150.0478 881.9111 150.5299 886.6357 151.0120 894.1807 151.4941 907.3291 151.9763 919.7324 152.4584 932.7710 152.9405 945.5718 153.4226 953.6582 153.9047 951.7656 154.3868 947.8398 154.8690 946.2500 155.3511 951.5483 155.8332 954.9648 156.3153 955.6562 156.7974 953.8076 157.2795 949.7495 157.7617 942.3135 158.2438 933.5459 158.7259 924.9092 159.2080 915.5796 159.6901 907.3408 160.1722 901.7539 160.6544 898.4805 161.1365 892.8540 161.6186 883.0537 162.1007 871.1724 162.5828 858.9072 163.0649 846.9028 163.5471 835.2808 164.0292 824.9385 164.5113 816.5449 164.9934 808.4888 165.4755 798.3276 165.9576 787.0405 166.4398 775.9707 166.9219 766.1567 167.4040 755.6812 167.8861 742.6704 168.3682 726.8018 168.8503 711.9844 169.3325 702.2744 169.8146 695.0674 170.2967 686.3877 170.7788 673.6147 171.2609 659.0239 171.7430 645.3047 172.2252 632.8101 172.7073 618.9673 173.1894 601.6958 173.6715 581.1729 174.1536 558.8774 174.6357 534.0132 175.1179 507.8799 175.6000 481.9819 176.0821 456.8232 176.5642 431.4380 177.0463 405.6729 177.5284 379.0229 178.0106 350.5132 178.4927 316.5200 178.9748 280.8569 179.4569 251.3672 179.9390 229.1938 180.4211 210.5264 180.9033 190.6729 181.3854 169.9619 181.8675 150.5361 182.3496 134.0347 182.8317 119.7139 183.3138 104.0640 183.7960 86.27930 184.2781 68.91406 184.7602 56.22559 185.2423 47.73535 185.7244 41.12354 186.2065 35.30420 186.6887 30.13037 187.1708 24.77197 187.6529 18.81836 188.1350 13.20605 188.6171 9.716309 189.0992 8.237305 189.5814 8.314941 190.0635 10.58057 190.5456 14.58398 191.0277 17.59521 191.5098 19.49219 191.9919 20.01123 192.4741 17.54346 192.9562 11.93311 193.4383 7.463867 193.9204 8.299316 194.4025 14.03271 194.8846 17.44775 195.3668 17.01074 195.8489 14.54004 196.3310 15.12598 196.8131 19.27783 197.2952 22.34814 197.7773 20.20068 198.2595 12.68701 198.7416 6.749512 199.2237 3.633301 199.7058 2.384277 200.1879 0.5200200 200.6700 2.118164 201.1522 4.665527 201.6343 6.136719 202.1164 6.274414 202.5985 8.107422 203.0806 12.63086 203.5627 18.63721 204.0449 22.00928 204.5270 22.25342 205.0091 21.36914 205.4912 21.29834 205.9733 22.72461 206.4554 21.72754 206.9376 16.65479 207.4197 8.985840 207.9018 4.925293 208.3839 5.676270 208.8660 6.536621 209.3481 3.946777 209.8303 2.906738 210.3124 8.390137 210.7945 11.57861 211.2766 13.39795 211.7587 17.11230 212.2408 23.08643 212.7230 30.02393 213.2051 37.19238 213.6872 44.54492 214.1693 52.20947 214.6514 60.12744 215.1335 68.21338 215.6157 76.28564 216.0978 84.53125 216.5799 92.12061 217.0620 98.17871 217.5441 101.6460 218.0262 106.6689 218.5084 114.3306 218.9905 123.8662 219.4726 131.4575 219.9547 136.8315 220.4368 140.9995 220.9189 144.1748 221.4011 145.1299 221.8832 148.8921 222.3653 157.2764 222.8474 168.9229 223.3295 177.5381 223.8116 181.8677 224.2938 185.0488 224.7759 188.8301 225.2580 193.2178 225.7401 198.2505 226.2222 204.4556 226.7043 211.2510 227.1865 216.3584 227.6686 219.4834 228.1507 221.1514 228.6328 221.4512 229.1149 219.5542 229.5970 218.3633 230.0792 218.6128 230.5613 219.7612 231.0434 219.5425 231.5255 217.1777 232.0076 214.8403 232.4897 214.0552 232.9719 216.3799 233.4540 216.8599 233.9361 214.1162 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20.71777 261.4167 12.11621 261.8989 5.905762 262.3810 2.391113 262.8631 1.300293 263.3452 3.665039 263.8273 9.519043 264.3094 12.23047 264.7916 11.32373 265.2737 8.719727 265.7558 5.506348 266.2379 0.7680660 266.7200 1.479980 267.2021 0.5332030 267.6843 6.216309 268.1664 9.050293 268.6485 7.863281 269.1306 6.101563 269.6127 6.581055 270.0948 9.477051 270.5770 13.48828 271.0591 18.55371 271.5412 24.38623 272.0233 29.99805 272.5054 35.08154 272.9875 40.28809 273.4697 46.61475 273.9518 54.62305 274.4339 59.80908 274.9160 60.36182 275.3981 58.50635 275.8802 61.61182 276.3624 70.69531 276.8445 80.84131 277.3266 89.39453 277.8087 96.37891 278.2908 101.6904 278.7729 105.1963 279.2551 107.2461 279.7372 108.0923 280.2193 107.5195 280.7014 107.4663 281.1835 109.9551 281.6656 114.9111 282.1478 116.6025 282.6299 114.4199 283.1120 109.6626 283.5941 103.4092 284.0762 95.46973 284.5583 89.43018 285.0405 88.37793 285.5226 91.51562 286.0047 91.48828 286.4868 88.06348 286.9689 82.06982 287.4510 73.40381 287.9332 62.23389 288.4153 52.31885 288.8974 45.83496 289.3795 41.86523 289.8616 37.68408 290.3438 33.39941 290.8259 28.04932 291.3080 19.08252 291.7901 7.424316 292.2722 1.688477 292.7543 5.511719 293.2365 6.089355 293.7186 8.286133 294.2007 12.12500 294.6828 15.69092 295.1649 16.55273 295.6470 15.60352 296.1292 15.95117 296.6113 19.11768 297.0934 23.16699 297.5755 24.90918 298.0576 24.48145 298.5397 23.50830 299.0219 23.47852 299.5040 23.68555 299.9861 22.75635 300.4682 20.51123 300.9503 16.74121 301.4324 10.55420 301.9146 2.346191 302.3967 6.409180 302.8788 14.13281 303.3609 22.02930 303.8430 32.04199 304.3251 44.91309 304.8073 58.02344 305.2894 68.26855 305.7715 76.73535 306.2536 86.50537 306.7357 99.91602 307.2178 114.7900 307.7000 128.3408 308.1821 140.0737 308.6642 152.4712 309.1463 167.1514 309.6284 183.5508 310.1105 201.1079 310.5927 220.1304 311.0748 239.4834 311.5569 258.4375 312.0390 277.0054 312.5211 296.1079 313.0032 317.8306 313.4854 340.1196 313.9675 360.4648 314.4496 373.7329 314.9317 388.8794 315.4138 412.2891 315.8959 442.5537 316.3781 471.4863 316.8602 495.4482 317.3423 516.5894 317.8244 536.1582 318.3065 552.3452 318.7886 569.9409 319.2708 590.9014 319.7529 614.3472 320.2350 638.0444 320.7171 664.0000 321.1992 687.9150 321.6813 707.1084 322.1635 719.0088 322.6456 730.5879 323.1277 743.9243 323.6098 757.4692 324.0919 768.7227 324.5740 775.4248 325.0562 781.6001 325.5383 789.3491 326.0204 800.0581 326.5025 806.1206 326.9846 805.3945 327.4667 800.5850 327.9489 794.5674 328.4310 784.8843 328.9131 776.9688 329.3952 772.9907 329.8773 773.1816 330.3594 769.7285 330.8416 759.6816 331.3237 748.5708 331.8058 740.3950 332.2879 737.1030 332.7700 733.3154 333.2521 727.0205 333.7343 719.3672 334.2164 717.4932 334.6985 725.1035 335.1806 732.8584 335.6627 735.1567 336.1448 729.0503 336.6270 725.4849 337.1091 724.4209 337.5912 726.1763 338.0733 732.8906 338.5554 746.7422 339.0375 758.4761 339.5197 762.9927 340.0018 759.6060 340.4839 761.1431 340.9660 768.3892 341.4481 778.6011 341.9302 788.7021 342.4124 798.8818 342.8945 807.5093 343.3766 813.3936 343.8587 817.3535 344.3408 823.9644 344.8229 833.4092 345.3051 843.7476 345.7872 855.0342 346.2693 866.4595 346.7514 872.3916 347.2335 870.0835 347.7156 863.7324 348.1978 861.6968 348.6799 863.6880 349.1620 865.3350 349.6441 863.7720 350.1262 859.4956 350.6083 853.7993 351.0905 846.7861 351.5726 839.4316 352.0547 833.4819 352.5368 828.2334 353.0189 821.6802 353.5010 812.6494 353.9832 801.7925 354.4653 789.8936 354.9474 776.8828 355.4295 762.3818 355.9116 745.4902 356.3937 727.0386 356.8759 708.3506 357.3580 689.4014 357.8401 670.7109 358.3222 653.7642 358.8043 638.0322 359.2864 620.4790 359.7686 596.7959 360.2507 572.0332 360.7328 550.8242 361.2149 536.3989 361.6970 521.4116 362.1791 501.5757 362.6613 478.7715 363.1434 457.3955 363.6255 440.6748 364.1076 424.1069 364.5897 405.3335 365.0718 383.7817 365.5540 362.0859 366.0361 339.6187 366.5182 317.6128 367.0003 297.5664 367.4824 282.4683 367.9645 266.5718 368.4467 248.0898 368.9288 227.1660 369.4109 207.5605 369.8930 189.5405 370.3751 172.8281 370.8572 157.1655 371.3394 142.1807 371.8215 129.3550 372.3036 119.8604 372.7857 112.5757 373.2678 103.0913 373.7499 89.40283 374.2321 76.79541 374.7142 67.82031 375.1963 62.94727 375.6784 59.20166 376.1605 56.24268 376.6426 54.73389 377.1248 57.08350 377.6069 64.60645 378.0890 68.21680 378.5711 63.81104 379.0532 52.55371 379.5353 42.62451 380.0175 33.96289 380.4996 26.76709 380.9817 21.51611 381.4638 18.07324 381.9459 15.12061 382.4280 12.21924 382.9102 9.867188 383.3923 9.479004 383.8744 10.84375 384.3565 11.97998 384.8386 11.04443 385.3207 9.006836 385.8029 7.918945 386.2850 8.114258 386.7671 8.560547 387.2492 8.736328 387.7313 8.401855 388.2134 6.941406 388.6956 3.369141 389.1777 0.9228520 389.6598 5.411621 390.1419 9.885742 390.6240 12.34473 391.1061 8.623047 391.5883 3.365234 392.0704 1.653809 392.5525 7.871582 393.0346 13.58643 393.5167 15.08496 393.9988 13.06543 394.4810 9.560547 394.9631 4.413574 395.4452 1.377930 395.9273 7.398438 396.4094 13.69434 396.8915 19.87158 397.3737 24.97168 397.8558 30.11816 398.3379 36.68066 398.8200 48.18066 399.3021 57.29541 399.7842 60.91895 400.2664 59.02588 400.7485 61.22705 401.2306 69.34180 401.7127 79.54541 402.1948 89.62402 402.6769 100.1152 403.1591 109.2188 403.6412 117.0811 404.1233 123.3188 404.6054 126.8613 405.0875 126.7925 405.5696 126.6143 406.0518 127.8457 406.5339 130.5830 407.0160 133.1025 407.4981 135.1787 407.9802 137.8740 408.4623 143.3965 408.9445 151.7549 409.4266 157.7163 409.9087 158.6504 410.3908 157.5464 410.8729 161.9053 411.3550 171.6846 411.8372 182.3271 412.3193 192.9634 412.8014 201.9746 413.2835 203.7720 413.7656 195.6519 414.2477 188.1855 414.7299 196.3921 415.2120 214.3032 415.6941 227.3931 416.1762 221.9634 416.6583 213.0825 417.1404 215.7021 417.6226 229.6206 418.1047 242.7944 418.5868 247.0063 419.0689 247.6382 419.5510 250.0161 420.0331 257.1250 420.5153 263.9482 420.9974 268.2422 421.4795 270.8120 421.9616 273.3706 422.4437 277.2671 422.9258 280.7446 423.4080 282.9829 423.8901 283.6709 424.3722 284.7515 424.8543 286.1982 425.3364 288.4199 425.8185 291.8623 426.3007 298.1743 426.7828 303.4956 427.2649 306.8047 427.7470 308.4858 428.2291 311.4546 428.7112 316.5420 429.1934 321.2505 429.6755 323.8408 430.1576 323.4648 430.6397 324.8076 431.1218 328.1147 431.6039 332.8110 432.0861 339.1060 432.5682 347.2427 433.0503 352.7852 433.5324 353.2378 434.0145 350.2231 434.4966 349.4736 434.9788 351.1099 435.4609 353.3213 435.9430 354.5405 436.4251 355.4238 436.9072 357.2314 437.3893 360.0015 437.8715 363.7725 438.3536 369.8389 438.8357 377.3105 439.3178 383.6416 439.7999 385.5635 440.2820 386.9351 440.7642 392.4717 441.2463 402.3433 441.7284 409.2402 442.2105 406.9810 442.6926 400.8594 443.1747 396.0024 443.6569 394.2896 444.1390 393.0469 444.6211 390.7002 445.1032 387.9248 445.5853 386.8232 446.0674 390.4297 446.5496 394.0010 447.0317 395.7935 447.5138 395.3091 447.9959 394.7339 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