#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:54:29 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1008 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000465.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_1000465 loop_ _publ_author_name 'Welch, M. D.' _publ_section_title ; Pb-Si ordering in sheet-oxychloride minerals: the super-structure of asisite, nominally Pb7SiO8Cl2 Locality: Kombat mine, Namibia ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 247 _journal_page_last 254 _journal_paper_doi 10.1180/0026461046820185 _journal_volume 68 _journal_year 2004 _chemical_compound_source R070635 _chemical_formula_sum 'Cl O4 Pb3.5 Si0.5' _chemical_name_mineral Asisite _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 3.8932 _cell_length_b 3.8932 _cell_length_c 22.803 _cell_volume 345.625 _exptl_crystal_density_diffrn 8.059 _cod_original_formula_sum 'Pb3.5 Si.5 O4 Cl' _cod_database_code 9011827 _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 R070635.rod _rod_data_source.block 3500000 _rod_database.code 1000465 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 9011827 COD http://www.crystallography.net/cod/9011827.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 121.5737 0.0000000E+00 122.0558 17.63770 122.5379 7.235352 123.0200 127.5098 123.5021 278.5127 123.9842 397.4912 124.4664 521.4463 124.9485 702.7705 125.4306 950.4990 125.9127 1227.038 126.3948 1492.137 126.8769 1750.303 127.3591 2032.609 127.8412 2359.504 128.3233 2722.720 128.8054 3104.137 129.2875 3511.364 129.7696 3902.553 130.2518 4165.084 130.7339 4309.598 131.2160 4495.078 131.6981 4891.660 132.1802 5462.691 132.6623 5941.152 133.1445 6190.645 133.6266 6249.529 134.1087 6367.938 134.5908 6559.289 135.0729 6774.021 135.5550 6939.313 136.0372 7052.838 136.5193 7126.074 137.0014 7164.908 137.4835 7169.594 137.9656 7138.404 138.4477 7074.133 138.9299 6974.058 139.4120 6818.800 139.8941 6596.245 140.3762 6345.703 140.8583 6092.707 141.3404 5847.441 141.8226 5580.869 142.3047 5279.442 142.7868 4944.906 143.2689 4624.309 143.7510 4318.531 144.2331 4029.062 144.7152 3758.359 145.1974 3496.457 145.6795 3262.907 146.1616 3064.126 146.6437 2920.490 147.1258 2764.087 147.6079 2590.590 148.0901 2403.067 148.5722 2219.795 149.0543 2022.134 149.5364 1841.984 150.0185 1694.980 150.5006 1604.954 150.9828 1519.095 151.4649 1438.230 151.9470 1361.844 152.4291 1284.675 152.9112 1195.257 153.3933 1111.172 153.8755 1043.318 154.3576 1016.327 154.8397 985.5137 155.3218 937.5625 155.8039 867.7139 156.2860 802.8730 156.7682 751.4336 157.2503 712.6055 157.7324 687.1367 158.2145 607.3994 158.6966 625.9688 159.1787 644.2920 159.6609 645.8662 160.1430 577.6221 160.6251 621.6680 161.1072 625.1055 161.5893 619.2490 162.0714 659.8750 162.5536 602.4102 163.0357 637.2773 163.5178 634.2383 163.9999 648.2344 164.4820 625.0205 164.9641 641.7178 165.4463 668.2734 165.9284 682.3418 166.4105 677.5088 166.8926 670.3301 167.3747 668.6484 167.8568 663.6045 168.3390 641.9863 168.8211 605.7793 169.3032 580.0918 169.7853 584.1309 170.2674 598.3545 170.7495 611.0186 171.2317 602.9512 171.7138 589.9219 172.1959 598.2012 172.6780 636.3223 173.1601 671.1699 173.6422 675.0107 174.1244 652.2178 174.6065 617.5908 175.0886 563.4336 175.5707 508.4805 176.0528 482.8760 176.5349 511.8857 177.0171 550.4688 177.4992 538.4512 177.9813 482.9170 178.4634 422.0557 178.9455 386.6357 179.4276 368.7588 179.9098 351.3271 180.3919 328.9053 180.8740 303.5693 181.3561 273.6572 181.8382 238.7236 182.3203 213.0254 182.8025 226.1611 183.2846 266.5205 183.7667 286.1396 184.2488 246.4492 184.7309 170.0645 185.2130 128.7969 185.6951 129.0020 186.1773 140.9365 186.6594 119.9131 187.1415 69.36426 187.6236 23.75195 188.1057 3.583984 188.5878 4.743164 189.0700 5.755859 189.5521 5.721680 190.0342 3.445313 190.5163 4.858398 190.9984 19.28125 191.4805 34.91211 191.9627 47.61133 192.4448 57.95996 192.9269 71.55273 193.4090 95.89941 193.8911 120.9316 194.3732 105.5176 194.8554 41.75293 195.3375 17.84570 195.8196 12.91699 196.3017 57.92188 196.7838 109.1689 197.2659 107.5566 197.7481 64.54688 198.2302 64.70898 198.7123 118.6816 199.1944 184.4531 199.6765 209.6777 200.1586 190.3975 200.6408 164.3203 201.1229 142.6494 201.6050 125.3799 202.0871 110.7197 202.5692 99.01758 203.0513 89.74512 203.5335 82.09863 204.0156 76.28223 204.4977 72.20215 204.9798 70.58691 205.4619 71.80078 205.9440 71.52832 206.4262 67.18311 206.9083 63.39453 207.3904 74.49170 207.8725 106.3340 208.3546 137.4985 208.8367 157.6909 209.3189 168.4204 209.8010 160.3770 210.2831 125.0596 210.7652 71.39160 211.2473 40.43701 211.7294 38.45947 212.2116 46.36670 212.6937 50.64844 213.1758 51.43359 213.6579 47.58545 214.1400 36.89551 214.6221 19.98096 215.1043 8.167480 215.5864 2.561035 216.0685 3.0762000E-02 216.5506 0.1904300 217.0327 8.321289 217.5148 2.365723 217.9970 30.35693 218.4791 92.61816 218.9612 127.0591 219.4433 120.8760 219.9254 99.31201 220.4075 96.24854 220.8897 120.8599 221.3718 144.5200 221.8539 157.1069 222.3360 154.6826 222.8181 159.6406 223.3002 176.1904 223.7824 197.3521 224.2645 210.1011 224.7466 210.0273 225.2287 209.2710 225.7108 211.4731 226.1929 214.7144 226.6750 227.6392 227.1572 255.8032 227.6393 292.1909 228.1214 317.9150 228.6035 326.1831 229.0856 333.8696 229.5677 352.6650 230.0499 399.8286 230.5320 415.9570 231.0141 380.4023 231.4962 311.0293 231.9783 284.2842 232.4604 327.5415 232.9426 378.4302 233.4247 396.4321 233.9068 353.7476 234.3889 336.3125 234.8710 362.6069 235.3531 426.2471 235.8353 466.1743 236.3174 470.9692 236.7995 465.2988 237.2816 468.3008 237.7637 488.2222 238.2458 500.8057 238.7280 499.4497 239.2101 484.4985 239.6922 478.3911 240.1743 485.2671 240.6564 496.7998 241.1385 505.8276 241.6207 513.3647 242.1028 515.8687 242.5849 508.4165 243.0670 488.8311 243.5491 487.8862 244.0313 517.4497 244.5134 555.6616 244.9955 575.6401 245.4776 564.1382 245.9597 557.6758 246.4418 566.7231 246.9240 594.6499 247.4061 620.1187 247.8882 648.5884 248.3703 670.4902 248.8524 667.2627 249.3345 614.7544 249.8167 578.2241 250.2988 583.1011 250.7809 645.9189 251.2630 680.9443 251.7451 674.0420 252.2272 649.7202 252.7094 652.6328 253.1915 698.3647 253.6736 738.9888 254.1557 750.6040 254.6378 721.0435 255.1199 709.8306 255.6021 730.1567 256.0842 763.6436 256.5663 771.6245 257.0484 744.8276 257.5305 709.2158 258.0126 674.9902 258.4948 636.4502 258.9769 618.3809 259.4590 629.9038 259.9411 658.4683 260.4232 669.9653 260.9053 658.8325 261.3875 640.5635 261.8696 621.1851 262.3517 598.3496 262.8338 582.0254 263.3159 573.2705 263.7980 571.1113 264.2802 571.6577 264.7623 573.4478 265.2444 579.7358 265.7265 595.8818 266.2086 628.6948 266.6907 644.2100 267.1729 637.0220 267.6550 612.2104 268.1371 582.2993 268.6192 540.4116 269.1013 511.0010 269.5834 517.7627 270.0656 571.8569 270.5477 605.4155 271.0298 607.9980 271.5119 584.6782 271.9940 550.5410 272.4761 498.2871 272.9583 455.6968 273.4404 449.4941 273.9225 488.1094 274.4046 516.0566 274.8867 524.3438 275.3688 516.4580 275.8510 503.2251 276.3331 483.3071 276.8152 463.7832 277.2973 448.4062 277.7794 436.0083 278.2615 435.3882 278.7437 453.3423 279.2258 484.5093 279.7079 505.3359 280.1900 514.8906 280.6721 516.3569 281.1542 509.7432 281.6364 494.6899 282.1185 482.9043 282.6006 476.1699 283.0827 474.6021 283.5648 479.1323 284.0469 490.1943 284.5291 505.7070 285.0112 524.8853 285.4933 547.6445 285.9754 570.2397 286.4575 589.4380 286.9396 607.7397 287.4217 638.3135 287.9038 683.5991 288.3860 723.7554 288.8681 733.5547 289.3502 715.8545 289.8323 702.2163 290.3144 701.6851 290.7965 712.1953 291.2787 730.5840 291.7608 757.0669 292.2429 783.8726 292.7250 810.2598 293.2071 833.7471 293.6892 838.9727 294.1714 807.9360 294.6535 761.2134 295.1356 746.2935 295.6177 764.4736 296.0998 792.4434 296.5819 806.7002 297.0641 812.6147 297.5462 827.9980 298.0283 866.1821 298.5104 913.5957 298.9925 949.6655 299.4746 974.4814 299.9568 989.5000 300.4389 990.7788 300.9210 983.0122 301.4031 977.5015 301.8852 977.3848 302.3673 981.9951 302.8495 986.9404 303.3316 992.1157 303.8137 1009.556 304.2958 1060.215 304.7779 1129.004 305.2600 1187.986 305.7422 1226.609 306.2243 1250.854 306.7064 1259.170 307.1885 1252.544 307.6706 1252.482 308.1527 1288.349 308.6349 1337.752 309.1170 1368.455 309.5991 1351.690 310.0812 1324.604 310.5633 1310.645 311.0454 1309.963 311.5276 1322.352 312.0097 1362.615 312.4918 1410.884 312.9739 1445.461 313.4560 1444.871 313.9381 1439.676 314.4203 1443.435 314.9024 1456.354 315.3845 1478.855 315.8666 1518.509 316.3487 1564.599 316.8308 1606.981 317.3130 1644.923 317.7951 1676.465 318.2772 1689.723 318.7593 1688.016 319.2414 1707.688 319.7235 1790.186 320.2057 1883.923 320.6878 1948.057 321.1699 1961.598 321.6520 1956.733 322.1341 1921.276 322.6162 1861.694 323.0984 1842.395 323.5805 1904.999 324.0626 1995.016 324.5447 2075.698 325.0268 2145.332 325.5089 2202.378 325.9911 2238.619 326.4732 2256.501 326.9553 2285.826 327.4374 2335.799 327.9195 2392.239 328.4016 2447.370 328.8838 2501.292 329.3659 2552.926 329.8480 2599.690 330.3301 2642.661 330.8122 2690.650 331.2943 2745.020 331.7765 2804.225 332.2586 2866.875 332.7407 2949.702 333.2228 3007.357 333.7049 3026.901 334.1870 3018.479 334.6692 3033.708 335.1513 3086.481 335.6334 3140.532 336.1155 3178.240 336.5976 3193.498 337.0797 3202.991 337.5619 3204.180 338.0440 3201.648 338.5261 3208.157 339.0082 3224.622 339.4903 3245.342 339.9724 3274.644 340.4546 3317.450 340.9367 3325.220 341.4188 3290.612 341.9009 3225.710 342.3830 3150.191 342.8651 3063.196 343.3473 2979.708 343.8294 2911.592 344.3115 2856.653 344.7936 2797.308 345.2757 2731.733 345.7578 2663.533 346.2400 2596.785 346.7221 2532.058 347.2042 2465.298 347.6863 2394.495 348.1684 2319.952 348.6505 2241.428 349.1327 2157.951 349.6148 2071.724 350.0969 1978.987 350.5790 1883.609 351.0611 1799.699 351.5432 1745.463 352.0254 1703.906 352.5075 1647.391 352.9896 1574.088 353.4717 1491.625 353.9538 1400.666 354.4359 1305.599 354.9181 1218.295 355.4002 1146.641 355.8823 1085.827 356.3644 1035.563 356.8465 996.0112 357.3286 954.1831 357.8108 899.9771 358.2929 840.5586 358.7750 784.2188 359.2571 733.5728 359.7392 687.8555 360.2213 648.3149 360.7035 614.6572 361.1856 581.9351 361.6677 541.8350 362.1498 504.1245 362.6319 476.7734 363.1140 476.1919 363.5962 472.3823 364.0783 455.2061 364.5604 426.2842 365.0425 398.6060 365.5246 373.8335 366.0067 350.4893 366.4889 327.4976 366.9710 306.1494 367.4531 282.3979 367.9352 245.8296 368.4173 203.8911 368.8994 188.7476 369.3815 235.1123 369.8636 278.8911 370.3458 291.3867 370.8279 249.9292 371.3100 215.5630 371.7921 185.7104 372.2742 163.1855 372.7563 157.0352 373.2385 178.2500 373.7206 197.7441 374.2027 204.6763 374.6848 198.4937 375.1669 179.3394 375.6490 138.2324 376.1312 93.47168 376.6133 79.52393 377.0954 105.3252 377.5775 125.6128 378.0596 117.6050 378.5417 82.91650 379.0239 72.82861 379.5060 94.33887 379.9881 120.0840 380.4702 107.1753 380.9523 57.34814 381.4344 25.01416 381.9166 37.22070 382.3987 78.27686 382.8808 102.1196 383.3629 108.0840 383.8450 103.2158 384.3271 89.73486 384.8093 69.92676 385.2914 51.25684 385.7735 34.96875 386.2556 21.90820 386.7377 15.70361 387.2198 15.55908 387.7020 15.04395 388.1841 3.314453 388.6662 9.361816 389.1483 53.09863 389.6304 9.866211 390.1125 14.47656 390.5947 20.94531 391.0768 44.07471 391.5589 16.72119 392.0410 26.35156 392.5231 37.47705 393.0052 2.946777 393.4874 51.55273 393.9695 11.90381 394.4516 9.803711 394.9337 9.520020 395.4158 8.370605 395.8979 14.73242 396.3801 15.67090 396.8622 30.07373 397.3443 35.46973 397.8264 37.78955 398.3085 38.47656 398.7906 36.07861 399.2728 28.80518 399.7549 12.72998 400.2370 3.920410 400.7191 22.47998 401.2012 43.85449 401.6833 51.31934 402.1655 35.84521 402.6476 14.95361 403.1297 4.417480 403.6118 9.952637 404.0939 10.98340 404.5760 1.401367 405.0582 15.44189 405.5403 19.04541 406.0224 4.982422 406.5045 9.483887 406.9866 9.335449 407.4688 6.648438 407.9509 12.68799 408.4330 4.193848 408.9151 13.12354 409.3972 30.49365 409.8793 47.85254 410.3615 58.46436 410.8436 58.69678 411.3257 49.21582 411.8078 29.25195 412.2899 3.679199 412.7720 36.47998 413.2542 61.30176 413.7363 74.54492 414.2184 65.22998 414.7005 0.2636720 415.1826 75.71680 415.6647 106.2788 416.1469 89.15039 416.6290 61.28955 417.1111 43.63916 417.5932 32.79150 418.0753 24.56787 418.5574 21.25293 419.0396 16.97803 419.5217 6.909668 420.0038 7.714355 420.4859 19.18652 420.9680 30.02100 421.4501 33.32812 421.9323 23.62402 422.4144 17.25293 422.8965 47.31836 423.3786 57.10693 423.8607 50.41357 424.3428 38.86572 424.8250 16.94775 425.3071 4.538574 425.7892 21.32178 426.2713 30.64307 426.7534 43.90674 427.2355 65.36377 427.7177 88.03516 428.1998 101.5615 428.6819 104.3882 429.1640 99.93213 429.6461 81.97607 430.1282 51.45361 430.6104 53.73145 431.0925 98.22314 431.5746 150.4487 432.0567 171.9971 432.5388 161.7104 433.0209 159.3130 433.5031 175.9536 433.9852 203.3545 434.4673 219.8931 434.9494 225.9302 435.4315 233.5518 435.9136 255.4600 436.3958 285.7949 436.8779 310.5464 437.3600 328.9272 437.8421 338.0654 438.3242 323.4561 438.8063 295.2183 439.2885 281.5903 439.7706 304.8491 440.2527 344.7671 440.7348 387.3916 441.2169 432.8154 441.6990 468.5723 442.1812 476.7891 442.6633 475.1060 443.1454 484.5820 443.6275 528.8774 444.1096 568.5767 444.5917 582.1040 445.0739 572.0425 445.5560 577.7822 446.0381 628.4712 446.5202 682.7021 447.0023 715.0957 447.4844 695.0273 447.9666 695.0674 448.4487 730.1914 448.9308 783.8223 449.4129 812.5288 449.8950 794.5425 450.3771 784.5352 450.8593 809.8848 451.3413 877.4341 451.8235 925.1431 452.3056 943.6045 452.7877 954.5352 453.2698 992.0015 453.7519 1059.096 454.2340 1114.958 454.7162 1142.602 455.1983 1150.692 455.6804 1172.874 456.1625 1210.134 456.6446 1245.610 457.1267 1262.369 457.6089 1266.007 458.0910 1271.505 458.5731 1279.235 459.0552 1293.363 459.5373 1322.614 460.0194 1364.810 460.5016 1410.333 460.9837 1456.227 461.4658 1499.903 461.9479 1540.631 462.4300 1579.370 462.9121 1611.182 463.3943 1627.217 463.8764 1636.543 464.3585 1650.002 464.8406 1667.882 465.3227 1694.903 465.8048 1741.198 466.2870 1807.102 466.7691 1850.946 467.2512 1846.498 467.7333 1832.769 468.2154 1831.400 468.6975 1820.513 469.1797 1800.665 469.6618 1872.840 470.1439 1913.318 470.6260 1922.399 471.1081 1806.043 471.5902 1851.208 472.0724 1831.576 472.5545 1808.812 473.0366 1872.770 473.5187 1769.163 474.0008 1831.118 474.4829 1828.472 474.9651 1856.665 475.4472 1820.367 475.9293 1804.918 476.4114 1854.933 476.8935 1868.565 477.3756 1825.617 477.8578 1857.706 478.3399 1756.745 478.8220 1772.854 479.3041 1839.573 479.7862 1800.985 480.2683 1833.494 480.7505 1837.020 481.2326 1714.465 481.7147 1810.119 482.1968 1811.720 482.6789 1717.583 483.1610 1808.764 483.6432 1688.043 484.1253 1640.002 484.6074 1609.656 485.0895 1582.377 485.5716 1545.327 486.0537 1479.595 486.5359 1426.414 487.0180 1395.406 487.5001 1381.119 487.9822 1356.029 488.4643 1316.234 488.9464 1271.982 489.4286 1227.657 489.9107 1184.200 490.3928 1136.736 490.8749 1082.207 491.3570 1030.654 491.8391 999.5654 492.3213 989.3721 492.8034 975.7476 493.2855 944.7520 493.7676 904.3369 494.2497 881.6401 494.7318 877.2241 495.2140 869.3657 495.6961 834.3516 496.1782 784.9126 496.6603 745.6865 497.1424 725.0947 497.6245 706.5801 498.1067 668.7402 498.5888 622.3369 499.0709 592.0957 499.5530 606.6064 500.0351 624.7334 500.5172 620.5083 500.9994 588.0098 501.4815 563.7153 501.9636 567.1592 502.4457 575.5679 502.9278 568.9067 503.4099 521.2031 503.8921 489.7617 504.3742 360.5718 504.8563 417.9985 505.3384 441.9580 505.8205 434.3735 506.3026 301.5513 506.7848 330.3481 507.2669 294.4634 507.7490 256.1216 508.2311 307.9653 508.7132 318.7676 509.1953 323.5132 509.6775 334.6851 510.1596 324.6470 510.6417 272.5796 511.1238 201.8145 511.6059 154.0942 512.0880 128.7212 512.5701 120.6982 513.0522 141.1211 513.5344 169.7866 514.0165 180.6216 514.4986 165.4390 514.9807 143.3110 515.4628 121.1558 515.9449 100.7261 516.4271 85.32764 516.9092 79.95898 517.3913 76.06641 517.8734 69.29492 518.3555 59.28613 518.8376 54.62744 519.3198 66.79004 519.8019 77.23584 520.2840 73.42139 520.7661 41.11523 521.2482 25.11719 521.7303 36.31592 522.2125 59.29150 522.6946 55.37598 523.1767 16.08154 523.6588 14.60400 524.1409 14.11572 524.6230 12.58936 525.1052 27.44580 525.5873 29.67920 526.0694 25.56104 526.5515 16.14697 527.0336 5.238281 527.5157 4.576660 527.9979 21.05713 528.4800 41.23486 528.9621 52.85303 529.4442 56.63281 529.9263 55.21143 530.4084 42.54004 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