#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:03:00 +0300 (Thu, 26 Apr 2018) $ #$Revision: 631 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000166.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_1000166 loop_ _publ_author_name 'Xu, K.' 'Xue, J.' 'Ding, Y.' 'Lu, G.' _publ_section_title ; Discovery of stolzite in China and refinement of its crystal structure ; _journal_name_full 'Acta Geologica Sinica' _journal_page_first 111 _journal_page_last 116 _journal_paper_doi 10.1111/j.1755-6724.1995.mp8001009.x _journal_volume 8 _journal_year 1995 _chemical_compound_source 'Yaogangxian, Hunan Province, China' _chemical_formula_sum 'O4 Pb W' _chemical_name_mineral Stolzite _space_group_IT_number 88 _symmetry_space_group_name_Hall 'I 4bw -1bw' _symmetry_space_group_name_H-M 'I 41/a :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.44505 _cell_length_b 5.44503 _cell_length_c 12.0495 _cell_volume 357.249 _exptl_crystal_density_diffrn 8.460 _cod_original_sg_symbol_H-M 'I 41/a' _cod_original_formula_sum 'Pb W O4' _cod_database_code 9014025 _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 helium-neon _raman_measurement_device.excitation_laser_wavelength 780 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 12 _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 R130615.rod _rod_data_source.block 3500000 _rod_database.code 1000166 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 9014025 COD http://www.crystallography.net/cod/9014025.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 93.12805 0.0000000E+00 93.61017 0.9499210 94.09229 2.119415 94.57440 2.218536 95.05651 2.406921 95.53863 3.180756 96.02074 4.141693 96.50286 4.799103 96.98498 4.710968 97.46709 3.600845 97.94921 2.723160 98.43133 2.170410 98.91344 2.066620 99.39556 2.186234 99.87768 2.524353 100.3598 3.005020 100.8419 3.486511 101.3240 3.895035 101.8061 4.513611 102.2883 6.044144 102.7704 7.662354 103.2525 8.066788 103.7346 8.009567 104.2167 8.474136 104.6988 8.559448 105.1810 8.453873 105.6631 8.159866 106.1452 7.481766 106.6273 6.440979 107.1094 5.452591 107.5915 4.531281 108.0737 3.836945 108.5558 3.582642 109.0379 3.633286 109.5200 3.542648 110.0021 2.768509 110.4842 1.165176 110.9664 2.3848999E-02 111.4485 0.6629180 111.9306 0.9481510 112.4127 0.8419190 112.8948 0.4240880 113.3769 1.0544000E-02 113.8591 0.1087950 114.3412 1.259216 114.8233 1.855484 115.3054 1.613785 115.7875 0.9284520 116.2696 0.2978520 116.7517 0.1051480 117.2339 0.3847810 117.7160 0.6997530 118.1981 0.8860780 118.6802 1.184174 119.1623 1.806122 119.6444 2.648102 120.1266 3.377853 120.6087 3.837921 121.0908 4.089203 121.5729 4.250610 122.0550 4.243546 122.5371 4.197281 123.0193 4.341202 123.5014 4.656525 123.9835 4.845337 124.4656 4.605789 124.9477 4.303497 125.4298 4.299225 125.9120 4.778748 126.3941 5.537292 126.8762 6.109787 127.3583 6.404922 127.8404 6.651047 128.3225 7.016830 128.8047 7.370285 129.2868 7.507217 129.7689 7.261047 130.2510 6.669693 130.7331 6.296356 131.2152 6.389343 131.6974 6.472626 132.1795 6.417755 132.6616 6.254349 133.1437 6.088028 133.6258 6.028702 134.1079 6.121384 134.5901 6.018265 135.0722 5.474655 135.5543 4.966629 136.0364 4.890182 136.5185 5.233597 137.0006 5.544495 137.4828 5.228363 137.9649 4.095352 138.4470 3.350601 138.9291 3.338898 139.4112 3.641006 139.8933 3.801117 140.3755 3.726608 140.8576 3.481369 141.3397 3.016663 141.8218 2.345215 142.3039 1.878632 142.7860 1.860870 143.2681 2.201904 143.7503 2.593140 144.2324 3.014526 144.7145 3.412827 145.1966 3.729843 145.6787 3.964691 146.1608 4.213516 146.6430 4.564911 147.1251 5.028854 147.6072 5.516144 148.0893 5.816101 148.5714 6.281479 149.0535 7.016876 149.5357 8.095139 150.0178 9.642593 150.4999 12.13611 150.9820 17.63687 151.4641 21.41467 151.9462 22.12578 152.4284 21.88358 152.9105 22.26633 153.3926 23.87752 153.8747 26.35547 154.3568 28.80655 154.8389 31.29874 155.3211 33.66718 155.8032 35.73892 156.2853 37.73488 156.7674 39.93106 157.2495 42.47922 157.7316 45.27789 158.2138 47.89131 158.6959 49.99254 159.1780 52.32225 159.6601 55.16362 160.1422 58.38467 160.6243 61.67979 161.1065 64.86911 161.5886 67.97704 162.0707 71.02136 162.5528 73.83708 163.0349 76.74435 163.5170 79.75560 163.9991 82.90791 164.4813 86.56810 164.9634 91.26263 165.4455 96.59984 165.9276 101.6154 166.4097 105.9981 166.8918 110.2298 167.3740 114.8102 167.8561 119.7546 168.3382 124.8852 168.8203 130.1905 169.3024 135.5544 169.7845 140.9467 170.2667 146.4704 170.7488 151.9715 171.2309 157.0945 171.7130 161.9379 172.1951 165.9699 172.6772 169.4399 173.1594 172.2036 173.6415 174.0340 174.1236 174.8070 174.6057 174.4891 175.0878 172.9425 175.5699 169.6000 176.0521 165.4718 176.5342 160.6602 177.0163 155.3083 177.4984 149.6060 177.9805 143.6134 178.4626 137.3121 178.9448 131.2545 179.4269 125.0686 179.9090 119.4686 180.3911 114.6044 180.8732 110.5164 181.3553 107.2880 181.8375 105.0209 182.3196 103.7781 182.8017 103.0381 183.2838 102.8821 183.7659 103.0287 184.2480 103.2173 184.7301 103.5114 185.2123 104.2767 185.6944 105.8726 186.1765 108.4426 186.6586 111.2900 187.1407 114.8509 187.6228 118.3282 188.1050 121.2756 188.5871 123.5942 189.0692 125.1571 189.5513 125.7597 190.0334 125.4191 190.5155 124.6161 190.9977 123.6539 191.4798 122.0714 191.9619 119.2405 192.4440 114.9701 192.9261 109.9469 193.4082 104.6007 193.8904 99.01340 194.3725 93.32253 194.8546 87.31677 195.3367 81.17642 195.8188 75.25565 196.3009 69.52495 196.7831 64.21785 197.2652 59.54907 197.7473 55.37173 198.2294 51.47319 198.7115 47.51651 199.1936 43.61552 199.6758 40.50642 200.1579 38.65129 200.6400 37.07152 201.1221 35.11852 201.6042 32.94298 202.0863 30.97443 202.5685 29.54742 203.0506 28.64005 203.5327 27.90424 204.0148 27.63191 204.4969 27.21669 204.9790 26.31123 205.4612 25.09573 205.9433 24.00891 206.4254 23.40201 206.9075 23.27245 207.3896 22.82837 207.8717 21.69835 208.3539 20.67374 208.8360 19.97998 209.3181 19.60378 209.8002 19.44868 210.2823 19.47832 210.7644 19.73402 211.2466 19.78400 211.7287 19.47714 212.2108 19.13458 212.6929 18.81683 213.1750 18.55730 213.6571 18.40128 214.1393 18.37999 214.6214 18.48402 215.1035 18.85817 215.5856 20.06567 216.0677 20.99692 216.5498 20.83601 217.0320 19.75841 217.5141 18.72711 217.9962 18.66318 218.4783 19.72836 218.9604 20.35947 219.4425 20.22762 219.9247 19.99165 220.4068 20.09785 220.8889 20.53537 221.3710 20.95352 221.8531 21.03687 222.3352 20.75482 222.8174 20.55994 223.2995 20.47308 223.7816 20.45618 224.2637 20.53265 224.7458 20.69345 225.2279 20.76831 225.7100 20.54550 226.1922 20.08041 226.6743 19.84579 227.1564 20.14075 227.6385 20.50836 228.1206 20.42453 228.6027 19.84821 229.0849 19.33887 229.5670 19.48511 230.0491 20.00720 230.5312 20.12723 231.0133 19.41742 231.4954 18.41174 231.9776 17.69788 232.4597 17.30350 232.9418 17.00766 233.4239 16.72333 233.9060 16.44342 234.3881 16.15363 234.8703 15.81509 235.3524 15.49399 235.8345 15.33936 236.3166 15.42395 236.7987 15.39410 237.2808 15.15057 237.7630 14.66867 238.2451 13.84586 238.7272 12.55118 239.2093 11.04562 239.6914 9.725983 240.1735 8.614899 240.6557 7.624756 241.1378 6.757568 241.6199 5.973297 242.1020 5.276245 242.5841 4.696655 243.0662 4.110748 243.5484 3.247772 244.0305 1.940216 244.5126 0.8197020 244.9947 4.6569999E-02 245.4768 0.4814150 245.9589 0.7052920 246.4410 0.5746460 246.9232 0.4776310 247.4053 1.169098 247.8874 3.097656 248.3695 4.754578 248.8516 5.856384 249.3337 6.641174 249.8159 7.188446 250.2980 7.535889 250.7801 7.861115 251.2622 8.512665 251.7443 9.798615 252.2264 10.70746 252.7086 10.94397 253.1907 10.97440 253.6728 11.08597 254.1549 11.36539 254.6370 11.75244 255.1191 12.18668 255.6013 12.83063 256.0834 13.14722 256.5655 12.92261 257.0476 12.58389 257.5297 12.46179 258.0118 12.58810 258.4940 12.68759 258.9761 12.37408 259.4582 11.48242 259.9403 10.58578 260.4224 9.694183 260.9045 8.770355 261.3867 7.721130 261.8688 6.564575 262.3509 5.522827 262.8330 4.919586 263.3151 5.113861 263.7972 4.389008 264.2794 2.176605 264.7615 0.2926330 265.2436 2.325836 265.7257 3.892151 266.2078 5.388214 266.6899 7.211273 267.1721 9.419861 267.6542 11.58502 268.1363 13.77853 268.6184 15.88547 269.1005 17.70850 269.5826 19.33307 270.0648 21.08191 270.5469 23.26025 271.0290 25.86752 271.5111 28.20871 271.9932 29.87280 272.4753 31.72684 272.9575 34.18289 273.4396 37.15204 273.9217 40.30026 274.4038 43.42050 274.8859 46.49548 275.3680 49.36902 275.8501 51.81165 276.3322 54.41159 276.8144 57.48621 277.2965 60.86774 277.7786 64.16663 278.2607 67.17343 278.7428 69.95270 279.2249 72.80020 279.7071 75.62158 280.1892 78.60300 280.6713 81.95889 281.1534 85.49301 281.6355 88.86432 282.1176 91.92004 282.5998 94.74731 283.0819 97.40811 283.5640 99.57397 284.0461 102.2197 284.5282 105.9121 285.0103 110.1154 285.4925 114.0673 285.9746 117.5305 286.4567 120.6475 286.9388 123.6299 287.4209 126.3482 287.9030 129.3163 288.3852 132.7043 288.8673 136.3260 289.3494 139.8768 289.8315 143.2800 290.3136 146.7701 290.7957 150.7482 291.2779 155.2617 291.7600 159.7465 292.2421 164.2529 292.7242 168.6444 293.2063 172.5660 293.6884 176.0141 294.1706 179.7316 294.6527 184.4999 295.1348 190.3657 295.6169 196.1117 296.0990 201.1841 296.5811 206.4944 297.0633 212.8304 297.5454 220.1437 298.0275 227.8112 298.5096 235.2264 298.9917 242.6715 299.4738 251.4229 299.9560 262.0195 300.4381 273.3077 300.9202 284.3765 301.4023 295.4685 301.8844 307.9071 302.3665 322.5006 302.8487 339.0544 303.3308 356.6731 303.8129 375.2972 304.2950 395.0739 304.7771 415.9138 305.2592 437.8986 305.7414 461.3773 306.2235 486.6008 306.7056 513.2702 307.1877 540.3553 307.6698 567.2218 308.1519 596.3510 308.6341 628.6046 309.1162 663.5491 309.5983 699.8635 310.0804 736.8799 310.5625 776.1816 311.0446 819.5481 311.5268 866.7759 312.0089 917.8908 312.4910 973.3079 312.9731 1032.387 313.4552 1094.200 313.9373 1158.393 314.4195 1227.459 314.9016 1304.823 315.3837 1390.599 315.8658 1478.802 316.3479 1567.215 316.8300 1659.170 317.3121 1758.212 317.7943 1864.472 318.2764 1973.487 318.7585 2083.694 319.2406 2194.032 319.7227 2302.302 320.2048 2413.722 320.6870 2518.617 321.1691 2615.504 321.6512 2702.316 322.1333 2774.488 322.6154 2831.624 323.0975 2869.126 323.5797 2875.931 324.0618 2854.773 324.5439 2806.492 325.0260 2726.803 325.5081 2620.908 325.9902 2495.155 326.4724 2349.285 326.9545 2191.312 327.4366 2029.878 327.9187 1862.906 328.4008 1704.341 328.8829 1555.337 329.3651 1417.298 329.8472 1291.869 330.3293 1179.324 330.8114 1079.179 331.2935 991.0942 331.7756 916.4995 332.2578 851.4632 332.7399 798.8576 333.2220 753.9420 333.7041 713.3957 334.1862 677.3361 334.6683 646.6801 335.1505 622.6160 335.6326 604.9333 336.1147 590.5215 336.5968 579.6981 337.0789 571.1896 337.5610 564.7386 338.0432 560.1753 338.5253 557.2097 339.0074 555.7175 339.4895 555.7001 339.9716 557.3896 340.4537 561.0757 340.9359 565.5913 341.4180 571.0406 341.9001 577.0939 342.3822 583.3467 342.8643 589.6575 343.3464 596.0460 343.8286 602.4731 344.3107 608.7820 344.7928 615.7388 345.2749 624.2283 345.7570 632.6967 346.2391 639.8359 346.7213 645.5801 347.2034 650.9718 347.6855 656.9536 348.1676 663.6162 348.6497 668.9396 349.1318 672.3520 349.6140 675.2683 350.0961 677.9363 350.5782 680.5463 351.0603 683.8171 351.5424 688.4150 352.0245 693.4088 352.5067 694.6880 352.9888 689.6691 353.4709 684.2027 353.9530 679.4526 354.4351 674.4317 354.9172 668.1559 355.3994 660.2503 355.8815 650.5654 356.3636 638.6868 356.8457 623.6005 357.3278 608.0925 357.8099 591.4537 358.2920 574.9047 358.7741 559.3911 359.2563 544.8980 359.7384 530.9816 360.2205 517.1518 360.7026 503.4039 361.1847 489.7811 361.6668 475.8016 362.1490 462.3846 362.6311 450.1542 363.1132 438.6829 363.5953 427.3320 364.0774 415.6558 364.5595 403.8513 365.0417 392.7778 365.5238 382.6850 366.0059 373.0779 366.4880 363.7531 366.9701 354.9594 367.4522 347.0191 367.9344 340.0261 368.4165 333.5790 368.8986 327.0212 369.3807 320.1765 369.8628 313.7971 370.3449 308.3868 370.8271 302.9581 371.3092 296.7024 371.7913 289.8064 372.2734 283.0872 372.7555 277.3074 373.2376 272.4751 373.7198 267.9056 374.2019 263.9149 374.6840 259.7932 375.1661 255.0789 375.6482 250.1338 376.1303 245.6068 376.6125 241.8519 377.0946 238.5126 377.5767 234.7355 378.0588 230.3157 378.5409 226.0274 379.0230 222.4311 379.5052 218.8267 379.9873 214.4330 380.4694 209.1111 380.9515 203.9150 381.4336 200.1796 381.9157 197.8574 382.3979 195.0342 382.8800 191.1881 383.3621 187.0856 383.8442 183.3044 384.3263 179.7551 384.8084 175.9792 385.2906 171.6172 385.7727 166.9200 386.2548 162.4493 386.7369 158.2917 387.2190 154.1068 387.7011 149.7600 388.1833 145.2242 388.6654 140.3747 389.1475 135.0078 389.6296 129.6572 390.1117 125.0667 390.5938 121.0661 391.0760 116.2800 391.5581 109.5961 392.0402 102.7899 392.5223 98.69684 393.0044 97.54419 393.4865 95.69287 393.9687 91.11816 394.4508 85.16846 394.9329 80.00739 395.4150 75.92267 395.8971 72.27948 396.3792 68.52332 396.8614 64.68689 397.3435 61.07391 397.8256 57.87848 398.3077 54.69794 398.7898 51.06525 399.2719 47.16187 399.7540 43.67273 400.2361 40.98175 400.7183 38.85785 401.2004 36.72247 401.6825 34.65430 402.1646 32.43781 402.6467 29.89075 403.1288 27.23950 403.6110 24.87360 404.0931 22.86304 404.5752 20.72296 405.0573 17.78137 405.5394 13.73627 406.0215 10.60004 406.5037 8.710327 406.9858 7.295837 407.4679 6.203674 407.9500 5.270874 408.4321 4.215637 408.9142 2.829102 409.3964 1.197510 409.8785 0.3206180 410.3606 1.754456 410.8427 3.016724 411.3248 4.007568 411.8069 4.884155 412.2891 5.812134 412.7712 6.823547 413.2533 7.824341 413.7354 8.707520 414.2175 9.499878 414.6996 10.08600 415.1818 10.25287 415.6639 10.39191 416.1460 10.61334 416.6281 10.92688 417.1102 11.33698 417.5923 11.94879 418.0745 12.60242 418.5566 12.65613 419.0387 11.76239 419.5208 10.98114 420.0029 10.71222 420.4850 10.66339 420.9672 10.59192 421.4493 10.43506 421.9314 10.21625 422.4135 9.949005 422.8956 9.628326 423.3777 9.313812 423.8599 9.173065 424.3420 8.821075 424.8241 7.783325 425.3062 6.270782 425.7883 5.046356 426.2704 4.672699 426.7526 4.615540 427.2347 4.136475 427.7168 3.213715 428.1989 2.004852 428.6810 0.5123290 429.1631 1.086975 429.6453 2.478546 430.1274 3.647003 430.6095 4.905426 431.0916 6.404755 431.5737 7.914948 432.0558 9.082214 432.5380 9.816101 433.0201 10.58521 433.5022 11.99081 433.9843 14.13434 434.4664 15.90637 434.9485 17.03864 435.4307 17.96442 435.9128 18.97739 436.3949 20.04846 436.8770 20.94034 437.3591 21.46521 437.8412 21.85687 438.3234 22.96075 438.8055 25.95316 439.2876 28.05054 439.7697 28.31332 440.2518 28.07715 440.7339 28.67337 441.2160 30.31778 441.6982 32.22543 442.1803 33.50464 442.6624 34.07562 443.1445 34.59781 443.6266 35.07541 444.1087 35.50665 444.5909 35.76160 445.0730 35.99988 445.5551 36.52209 446.0372 37.51953 446.5193 38.69974 447.0014 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