#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:28:26 +0300 (Thu, 26 Apr 2018) $ #$Revision: 474 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100005.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_8100005 loop_ _publ_author_name 'Boucher, M. L.' 'Peacor, D. R.' _publ_section_title ; The crystal structure of alamosite, PbSiO3 Locality: Alamos, Sonora, Mexico ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 98 _journal_page_last 111 _journal_volume 126 _journal_year 1968 _chemical_compound_source R060067 _chemical_formula_sum 'O3 Pb Si' _chemical_name_mineral Alamosite _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2yac' _symmetry_space_group_name_H-M 'P 1 2/n 1' _cell_angle_alpha 90 _cell_angle_beta 113.25 _cell_angle_gamma 90 _cell_length_a 11.23 _cell_length_b 7.08 _cell_length_c 12.26 _cell_volume 895.613 _exptl_crystal_density_diffrn 6.303 _cod_original_formula_sum 'Pb Si O3' _cod_database_code 9008141 _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 R060067.rod _rod_data_source.block 3500000 _rod_database.code 8100005 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 9008141 COD http://www.crystallography.net/cod/9008141.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 130.6109 0.0000000E+00 131.0930 1.706848 131.5751 0.2502440 132.0572 0.4564210 132.5394 0.8118900 133.0215 3.603027 133.5036 8.954468 133.9857 16.42114 134.4678 26.74500 134.9499 40.03381 135.4321 56.16187 135.9142 75.24060 136.3963 97.38684 136.8784 122.2638 137.3605 147.6301 137.8426 173.9332 138.3248 200.3143 138.8069 227.7117 139.2890 255.6038 139.7711 281.0233 140.2532 302.3632 140.7353 319.5788 141.2175 333.1367 141.6996 347.5833 142.1817 357.0287 142.6638 355.0524 143.1459 340.8149 143.6280 318.6010 144.1102 287.1956 144.5923 250.2405 145.0744 212.9385 145.5565 175.4863 146.0386 139.2382 146.5207 108.2145 147.0029 83.87744 147.4850 63.30164 147.9671 44.13116 148.4492 26.89539 148.9313 12.74622 149.4134 2.296082 149.8955 4.476196 150.3777 6.943542 150.8598 2.539612 151.3419 4.492126 151.8240 12.76917 152.3061 22.47363 152.7882 34.66278 153.2704 50.64960 153.7525 71.26929 154.2346 93.20941 154.7167 116.6211 155.1988 141.0802 155.6809 166.6169 156.1631 193.2252 156.6452 220.5957 157.1273 248.7396 157.6094 280.8666 158.0915 305.9523 158.5736 319.8892 159.0558 328.9396 159.5379 339.3411 160.0200 352.7003 160.5021 366.1627 160.9842 374.4983 161.4663 376.3759 161.9485 378.6415 162.4306 381.2184 162.9127 385.3766 163.3948 393.6160 163.8769 406.9987 164.3590 424.7471 164.8412 445.3528 165.3233 469.0049 165.8054 494.0367 166.2875 522.2762 166.7696 552.6776 167.2517 577.0724 167.7339 594.4892 168.2160 602.1539 168.6981 597.6514 169.1802 580.0151 169.6623 554.5920 170.1444 526.1760 170.6266 494.8704 171.1087 460.2443 171.5908 417.9202 172.0729 374.6870 172.5550 334.0341 173.0371 296.9265 173.5193 264.3871 174.0014 237.5659 174.4835 217.0007 174.9656 202.1192 175.4477 192.9684 175.9298 188.0511 176.4120 186.7953 176.8941 188.9796 177.3762 193.5267 177.8583 197.4866 178.3404 200.5721 178.8225 203.3959 179.3047 206.1719 179.7868 208.9355 180.2689 212.1843 180.7510 216.2560 181.2331 220.3409 181.7152 219.8824 182.1974 213.4167 182.6795 203.8493 183.1616 191.9971 183.6437 177.5507 184.1258 160.1124 184.6079 139.3060 185.0900 115.7601 185.5722 96.10822 186.0543 81.28033 186.5364 68.79089 187.0185 56.87988 187.5006 45.84406 187.9827 36.14648 188.4649 27.95221 188.9470 22.76508 189.4291 21.32135 189.9112 24.92474 190.3933 30.82129 190.8754 37.76306 191.3576 45.73114 191.8397 54.19635 192.3218 63.23694 192.8039 72.47815 193.2860 81.15894 193.7681 89.28613 194.2503 96.81366 194.7324 103.8137 195.2145 110.3744 195.6966 115.8788 196.1787 119.0374 196.6608 121.1433 197.1430 123.6373 197.6251 127.0352 198.1072 130.9207 198.5893 134.3147 199.0714 136.5327 199.5535 140.2031 200.0357 147.0938 200.5178 155.6705 200.9999 164.1313 201.4820 171.4147 201.9641 178.4554 202.4462 187.9060 202.9284 200.7655 203.4105 214.6738 203.8926 229.5259 204.3747 244.6875 204.8568 259.0246 205.3389 271.4926 205.8211 283.1730 206.3032 298.7787 206.7853 320.8417 207.2674 344.3195 207.7495 369.0341 208.2316 394.2962 208.7138 419.5119 209.1959 444.1854 209.6780 468.3979 210.1601 492.1917 210.6422 516.8802 211.1243 539.6971 211.6065 560.7968 212.0886 579.6481 212.5707 595.6494 213.0528 608.5217 213.5349 618.0778 214.0170 621.6395 214.4992 619.2375 214.9813 611.6346 215.4634 597.9599 215.9455 579.1591 216.4276 556.5283 216.9097 530.7238 217.3919 501.9874 217.8740 472.8623 218.3561 442.0546 218.8382 412.3713 219.3203 385.6207 219.8024 361.0805 220.2845 336.5436 220.7667 310.3256 221.2488 283.0405 221.7309 258.1371 222.2130 235.4049 222.6951 214.9286 223.1772 197.1944 223.6594 181.9031 224.1415 167.7653 224.6236 154.1616 225.1057 141.1111 225.5878 128.4230 226.0699 115.6145 226.5521 103.6254 227.0342 93.47983 227.5163 84.96027 227.9984 76.00388 228.4805 64.47440 228.9626 52.42099 229.4448 43.76236 229.9269 40.29416 230.4090 37.94022 230.8911 32.95883 231.3732 25.36069 231.8553 18.26636 232.3375 12.95941 232.8196 9.055145 233.3017 6.392090 233.7838 5.430145 234.2659 4.514038 234.7480 1.484039 235.2302 3.969940 235.7123 8.509888 236.1944 10.05853 236.6765 10.57938 237.1586 11.70685 237.6407 13.82922 238.1229 16.09052 238.6050 17.59628 239.0871 18.33823 239.5692 18.29831 240.0513 16.42563 240.5334 14.36508 241.0156 13.44952 241.4977 13.98306 241.9798 14.78104 242.4619 14.24777 242.9440 12.07895 243.4261 9.734100 243.9083 7.756714 244.3904 5.490631 244.8725 2.252533 245.3546 1.969604 245.8367 6.344360 246.3188 9.651642 246.8010 11.48434 247.2831 13.55954 247.7652 16.22644 248.2473 19.06543 248.7294 21.61484 249.2115 23.91101 249.6937 26.56467 250.1758 30.57901 250.6579 36.79959 251.1400 42.02304 251.6221 45.10071 252.1042 48.20035 252.5864 52.70969 253.0685 58.69522 253.5506 65.07602 254.0327 70.54291 254.5148 74.61752 254.9969 79.26407 255.4790 84.56061 255.9612 90.26706 256.4433 96.24341 256.9254 102.4763 257.4075 109.0515 257.8896 115.9858 258.3718 123.1504 258.8539 131.3017 259.3360 140.6218 259.8181 150.5085 260.3002 160.5885 260.7823 170.9138 261.2645 181.8674 261.7466 193.8978 262.2287 207.2073 262.7108 220.0724 263.1929 231.9096 263.6750 243.9044 264.1572 257.1774 264.6393 271.3394 265.1214 285.0921 265.6035 297.6487 266.0856 308.9917 266.5677 317.6711 267.0499 323.9610 267.5320 328.1045 268.0141 330.7385 268.4962 331.4873 268.9783 329.0290 269.4604 322.2080 269.9426 311.2674 270.4247 299.7996 270.9068 288.2289 271.3889 275.8189 271.8710 261.6186 272.3531 246.3015 272.8352 231.3489 273.3174 217.4805 273.7995 204.7434 274.2816 193.4671 274.7637 185.2063 275.2458 176.3133 275.7279 165.4510 276.2101 153.1518 276.6922 140.3099 277.1743 126.9692 277.6564 113.9091 278.1385 103.4359 278.6206 96.81723 279.1028 89.88297 279.5849 80.85376 280.0670 70.86832 280.5491 61.62448 281.0312 53.54132 281.5133 47.01678 281.9955 43.52484 282.4776 43.94455 282.9597 43.47244 283.4418 39.88620 283.9239 34.94843 284.4060 31.44803 284.8882 30.14423 285.3703 30.02393 285.8524 29.86700 286.3345 29.62875 286.8166 29.56403 287.2987 29.90143 287.7809 30.40112 288.2630 30.57086 288.7451 30.23187 289.2272 30.17279 289.7093 31.45975 290.1914 34.00714 290.6736 36.33273 291.1557 38.23358 291.6378 39.87796 292.1199 41.23215 292.6020 42.15784 293.0841 43.00180 293.5663 44.20230 294.0484 45.96381 294.5305 48.22656 295.0126 51.07614 295.4947 54.22443 295.9768 57.67950 296.4590 61.44858 296.9411 65.02130 297.4232 68.33667 297.9053 71.19254 298.3874 73.00089 298.8695 72.79895 299.3517 72.35434 299.8338 73.65021 300.3159 76.34399 300.7980 77.57114 301.2801 75.94730 301.7622 71.84506 302.2444 66.17902 302.7265 57.59885 303.2086 50.91980 303.6907 50.54501 304.1728 54.55203 304.6549 56.00803 305.1371 51.96429 305.6192 45.47174 306.1013 40.78882 306.5834 37.85815 307.0655 36.16528 307.5476 36.13095 308.0298 37.14407 308.5119 37.61972 308.9940 36.91296 309.4761 36.32578 309.9582 37.33356 310.4403 39.74484 310.9225 43.04761 311.4046 48.22507 311.8867 53.83188 312.3688 57.19727 312.8509 57.69659 313.3330 57.98135 313.8152 60.82516 314.2973 65.37741 314.7794 68.79001 315.2615 69.30280 315.7436 69.14206 316.2257 71.08960 316.7079 75.29025 317.1900 79.11362 317.6721 81.02310 318.1542 81.30896 318.6363 81.04590 319.1184 81.08728 319.6006 79.61728 320.0827 74.91541 320.5648 67.24023 321.0469 58.39209 321.5290 48.53076 322.0111 38.33624 322.4933 28.75250 322.9754 19.45413 323.4575 11.63992 323.9396 6.585663 324.4217 3.596863 324.9038 0.3439330 325.3860 4.341400 325.8681 8.512421 326.3502 9.240295 326.8323 6.668213 327.3144 3.433868 327.7965 0.6845700 328.2787 2.192932 328.7608 6.244904 329.2429 11.68161 329.7250 17.99316 330.2071 24.89404 330.6892 32.31683 331.1714 40.03830 331.6535 48.37744 332.1356 56.79575 332.6177 64.47659 333.0998 71.38654 333.5819 78.56564 334.0641 86.80463 334.5462 95.88626 335.0283 104.8886 335.5104 112.7481 335.9925 121.5316 336.4746 133.5100 336.9568 147.9521 337.4389 160.9249 337.9210 169.9633 338.4031 177.3078 338.8852 188.4526 339.3673 204.7390 339.8495 220.9114 340.3316 233.9865 340.8137 245.4822 341.2958 258.6595 341.7779 274.5935 342.2600 291.7967 342.7421 308.0023 343.2242 322.8652 343.7064 339.3875 344.1885 359.2769 344.6706 380.5346 345.1527 401.3394 345.6348 421.4902 346.1169 440.4337 346.5991 457.7335 347.0812 473.2112 347.5633 487.1594 348.0454 500.2328 348.5275 511.4050 349.0096 520.4987 349.4918 527.2648 349.9739 530.8757 350.4560 531.2745 350.9381 527.8053 351.4202 517.5281 351.9023 497.5900 352.3845 475.5547 352.8666 454.4191 353.3487 432.5498 353.8308 406.3209 354.3129 373.9297 354.7950 338.7769 355.2772 307.2209 355.7593 280.2817 356.2414 254.9500 356.7235 230.9541 357.2056 208.5306 357.6877 188.2420 358.1699 170.0617 358.6520 153.3055 359.1341 137.0404 359.6162 121.0883 360.0983 107.4187 360.5804 96.02524 361.0626 86.74820 361.5447 79.75262 362.0268 74.78033 362.5089 71.14835 362.9910 68.40741 363.4731 66.44611 363.9553 64.85852 364.4374 62.98489 364.9195 62.37088 365.4016 64.50461 365.8837 67.62927 366.3658 69.24905 366.8480 68.34570 367.3301 66.00671 367.8122 64.58301 368.2943 65.04767 368.7764 64.79245 369.2585 63.66162 369.7407 62.06009 370.2228 60.23279 370.7049 58.22342 371.1870 55.95575 371.6691 53.19534 372.1512 49.68106 372.6334 47.39105 373.1155 46.96341 373.5976 47.06479 374.0797 47.15311 374.5618 47.40045 375.0439 48.29190 375.5261 50.18982 376.0082 52.92841 376.4903 55.66617 376.9724 58.22034 377.4545 61.07025 377.9366 64.07498 378.4188 67.49249 378.9009 71.73639 379.3830 76.91348 379.8651 82.51041 380.3472 87.78189 380.8293 92.95459 381.3115 97.13531 381.7936 100.1102 382.2757 102.1873 382.7578 103.4070 383.2399 103.7780 383.7220 103.4143 384.2042 102.6517 384.6863 101.4892 385.1684 98.90359 385.6505 93.90515 386.1326 88.69821 386.6147 84.34744 387.0969 80.36801 387.5790 76.02606 388.0611 71.01547 388.5432 65.35181 389.0253 58.69452 389.5074 50.59085 389.9896 43.36319 390.4717 38.19989 390.9538 34.03958 391.4359 30.00986 391.9180 25.96582 392.4001 22.65646 392.8823 20.89938 393.3644 20.50885 393.8465 20.40326 394.3286 20.66272 394.8107 20.78732 395.2928 20.13663 395.7750 18.95493 396.2571 18.14822 396.7392 18.93073 397.2213 19.89206 397.7034 18.32950 398.1855 13.95322 398.6677 10.58752 399.1498 10.88791 399.6319 13.63538 400.1140 15.73178 400.5961 16.63452 401.0782 17.59818 401.5604 19.50012 402.0425 22.05902 402.5246 24.52060 403.0067 26.70242 403.4888 28.56137 403.9709 29.90805 404.4531 30.69559 404.9352 31.56253 405.4173 32.70474 405.8994 33.92688 406.3815 35.06461 406.8636 36.09451 407.3458 37.04678 407.8279 38.02444 408.3100 38.97165 408.7921 39.15387 409.2742 38.02902 409.7563 36.85550 410.2385 36.26004 410.7206 35.91022 411.2027 35.23141 411.6848 33.98721 412.1669 32.27036 412.6490 30.29321 413.1311 28.44012 413.6133 25.54510 414.0954 20.59290 414.5775 15.38843 415.0596 11.04596 415.5417 7.780762 416.0238 5.447327 416.5060 4.066376 416.9881 3.690491 417.4702 2.504578 417.9523 0.1913760 418.4344 2.990631 418.9165 6.192474 419.3987 9.125458 419.8808 10.70282 420.3629 10.37830 420.8450 9.147705 421.3271 9.243347 421.8092 11.50079 422.2914 12.96088 422.7735 12.79193 423.2556 12.17444 423.7377 12.01691 424.2198 12.24600 424.7019 11.92661 425.1841 10.14249 425.6662 7.002502 426.1483 3.594757 426.6304 0.4027400 427.1125 4.118225 427.5946 6.946442 428.0768 9.342224 428.5589 11.91785 429.0410 14.86749 429.5231 18.13910 430.0052 21.81335 430.4873 25.90543 430.9695 29.76431 431.4516 33.10034 431.9337 36.21295 432.4158 39.36002 432.8979 42.54517 433.3800 45.93942 433.8622 49.57965 434.3443 53.49023 434.8264 57.70123 435.3085 62.18893 435.7906 67.11713 436.2727 72.52237 436.7549 78.54794 437.2370 85.44949 437.7191 93.69220 438.2012 102.3290 438.6833 110.9648 439.1654 119.6274 439.6476 128.2884 440.1297 136.8508 440.6118 145.8180 441.0939 156.3147 441.5760 169.5871 442.0581 180.8661 442.5403 190.0858 443.0224 197.1327 443.5045 201.8335 443.9866 204.2389 444.4687 204.6913 444.9508 203.6364 445.4330 200.8626 445.9151 193.7221 446.3972 178.5170 446.8793 163.2875 447.3614 148.9218 447.8435 135.2567 448.3257 121.8810 448.8078 108.7219 449.2899 96.13559 449.7720 84.54169 450.2541 73.78299 450.7362 64.71564 451.2184 57.42667 451.7005 51.83630 452.1826 48.81534 452.6647 47.56393 453.1468 46.17734 453.6289 43.31033 454.1111 39.68976 454.5932 37.36728 455.0753 36.37259 455.5574 36.58072 456.0395 38.48303 456.5216 41.32578 457.0038 44.59448 457.4859 48.21945 457.9680 52.31888 458.4501 57.18585 458.9322 62.60291 459.4143 67.58014 459.8965 71.59381 460.3786 76.42297 460.8607 84.18228 461.3428 93.91983 461.8249 103.2524 462.3070 111.7157 462.7892 119.6062 463.2713 127.6448 463.7534 135.3730 464.2355 141.2635 464.7176 144.9187 465.1997 146.1655 465.6819 144.3615 466.1640 139.2026 466.6461 132.5529 467.1282 123.8898 467.6103 114.3263 468.0924 104.4182 468.5746 94.42181 469.0567 84.60144 469.5388 75.09360 470.0209 66.07440 470.5030 58.46527 470.9851 52.26242 471.4673 47.63148 471.9494 45.30765 472.4315 44.19849 472.9136 43.27426 473.3957 42.27452 473.8778 41.56233 474.3600 41.61264 474.8421 42.51459 475.3242 43.48610 475.8063 44.38402 476.2884 45.40073 476.7705 46.40175 477.2527 47.56628 477.7348 49.33501 478.2169 52.07404 478.6990 55.32158 479.1811 57.99338 479.6632 59.84723 480.1454 62.03206 480.6275 64.85883 481.1096 68.28690 481.5917 72.34818 482.0738 76.96185 482.5559 81.62547 483.0380 85.51358 483.5201 89.72191 484.0023 96.39592 484.4844 105.7189 484.9665 114.7786 485.4486 121.4353 485.9307 126.9454 486.4128 134.8154 486.8950 146.1897 487.3771 157.3200 487.8592 167.0922 488.3413 175.7568 488.8234 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