#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:43:47 +0300 (Thu, 26 Apr 2018) $ #$Revision: 536 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000088.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_1000088 loop_ _publ_author_name 'Cooper, M. A.' 'Hawthorne, F. C.' _publ_section_title ; The crystal structure of kombatite, Pb14(VO4)2O9Cl4, a complex heteropolyhedral sheet mineral ; _journal_name_full 'American Mineralogist' _journal_page_first 550 _journal_page_last 554 _journal_volume 79 _journal_year 1994 _chemical_compound_source R070720 _chemical_formula_sum 'Cl4 O17 Pb14 V2' _chemical_name_mineral Kombatite _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 118.11 _cell_angle_gamma 90 _cell_length_a 12.682 _cell_length_b 22.566 _cell_length_c 11.279 _cell_volume 2847.105 _exptl_crystal_density_diffrn 7.970 _cod_original_formula_sum 'Pb14 V2 Cl4 O17' _cod_database_code 9001609 _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 R070720.rod _rod_data_source.block 3500000 _rod_database.code 1000088 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 9001609 COD http://www.crystallography.net/cod/9001609.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 178.8238 1.974609 179.3059 22.96973 179.7880 76.37207 180.2701 108.5566 180.7522 115.1387 181.2344 135.8730 181.7165 183.8604 182.1986 238.5352 182.6807 283.4902 183.1628 308.5615 183.6449 283.6328 184.1271 261.1328 184.6092 257.1992 185.0913 253.1182 185.5734 256.0098 186.0555 254.0439 186.5376 229.1865 187.0198 174.3535 187.5019 108.1816 187.9840 77.18066 188.4661 124.6074 188.9482 156.5664 189.4303 149.4248 189.9125 127.1143 190.3946 123.3027 190.8767 154.8721 191.3588 210.0371 191.8409 232.5977 192.3230 192.3057 192.8052 152.7070 193.2873 121.8242 193.7694 98.83398 194.2515 85.66406 194.7336 84.53564 195.2157 93.86328 195.6979 96.55127 196.1800 95.76562 196.6621 86.89307 197.1442 62.86914 197.6263 28.11377 198.1084 5.146973 198.5906 30.07617 199.0727 45.40771 199.5548 51.25000 200.0369 29.13672 200.5190 13.82764 201.0011 36.37402 201.4833 92.68115 201.9654 139.0117 202.4475 135.5015 202.9296 88.27100 203.4117 69.45020 203.8938 103.4175 204.3760 152.5444 204.8581 183.9521 205.3402 195.4683 205.8223 200.6201 206.3044 204.3628 206.7865 209.3320 207.2687 225.9878 207.7508 264.8350 208.2329 312.9922 208.7150 354.4702 209.1971 388.3447 209.6792 415.5127 210.1614 429.0093 210.6435 435.3647 211.1256 450.4932 211.6077 487.2163 212.0898 320.5093 212.5719 152.1030 213.0541 23.35352 213.5362 193.9160 214.0183 349.1733 214.5004 493.5762 214.9825 638.1318 215.4646 794.1846 215.9468 956.1372 216.4289 1099.179 216.9110 1210.737 217.3931 1318.928 217.8752 1439.823 218.3573 1569.909 218.8395 1699.003 219.3216 1821.449 219.8037 1937.480 220.2858 2048.066 220.7679 2151.721 221.2500 2250.154 221.7322 2345.005 222.2143 2435.939 222.6964 2521.196 223.1785 2597.209 223.6606 2663.501 224.1427 2732.280 224.6249 2815.489 225.1070 2891.924 225.5891 2949.901 226.0712 2992.039 226.5533 3031.489 227.0354 3081.548 227.5176 3144.705 227.9997 3203.031 228.4818 3248.223 228.9639 3296.344 229.4460 3359.732 229.9281 3434.567 230.4103 3504.834 230.8924 3549.778 231.3745 3559.653 231.8566 3592.063 232.3387 3676.149 232.8208 3756.251 233.3030 3805.202 233.7851 3823.174 234.2672 3827.636 234.7493 3836.227 235.2314 3846.946 235.7135 3865.767 236.1957 3903.991 236.6778 3938.836 237.1599 3958.404 237.6420 3963.929 238.1241 3966.006 238.6062 3977.918 239.0884 4007.247 239.5705 4022.730 240.0526 4013.345 240.5347 4000.769 241.0168 3995.387 241.4989 3999.331 241.9811 4010.774 242.4632 4028.833 242.9453 4056.364 243.4274 4082.654 243.9095 4103.756 244.3916 4125.230 244.8738 4153.788 245.3559 4187.667 245.8380 4218.209 246.3201 4236.426 246.8022 4233.076 247.2843 4241.085 247.7665 4273.553 248.2486 4307.115 248.7307 4326.637 249.2128 4330.347 249.6949 4324.078 250.1770 4315.158 250.6592 4305.994 251.1413 4280.706 251.6234 4236.010 252.1055 4179.297 252.5876 4114.265 253.0697 4042.683 253.5519 3966.491 254.0340 3888.616 254.5161 3809.437 254.9982 3722.613 255.4803 3616.112 255.9624 3508.621 256.4445 3416.131 256.9267 3341.106 257.4088 3274.646 257.8909 3209.698 258.3730 3145.629 258.8551 3079.230 259.3372 3006.309 259.8194 2931.048 260.3015 2857.361 260.7836 2788.231 261.2657 2726.895 261.7478 2676.355 262.2299 2637.930 262.7121 2600.915 263.1942 2564.021 263.6763 2531.416 264.1584 2504.199 264.6405 2482.767 265.1227 2471.152 265.6048 2472.416 266.0869 2488.007 266.5690 2511.691 267.0511 2547.523 267.5332 2590.078 268.0154 2635.120 268.4975 2682.790 268.9796 2735.263 269.4617 2793.111 269.9438 2867.550 270.4259 2953.060 270.9081 3056.292 271.3902 3158.068 271.8723 3239.230 272.3544 3301.016 272.8365 3368.226 273.3186 3463.412 273.8008 3584.486 274.2829 3694.033 274.7650 3798.681 275.2471 3886.307 275.7292 3949.466 276.2113 3987.642 276.6935 4001.190 277.1756 3985.999 277.6577 3942.669 278.1398 3894.503 278.6219 3858.821 279.1040 3804.424 279.5862 3704.440 280.0683 3562.223 280.5504 3404.669 281.0325 3242.371 281.5146 3078.814 281.9967 2926.125 282.4789 2790.513 282.9610 2659.226 283.4431 2521.355 283.9252 2379.087 284.4073 2247.913 284.8894 2139.153 285.3716 2045.966 285.8537 1942.698 286.3358 1809.474 286.8179 1691.356 287.3000 1616.458 287.7821 1579.027 288.2643 1557.546 288.7464 1543.978 289.2285 1539.359 289.7106 1545.137 290.1927 1564.717 290.6748 1587.860 291.1570 1603.459 291.6391 1617.498 292.1212 1649.648 292.6033 1710.599 293.0854 1790.376 293.5675 1865.963 294.0497 1930.285 294.5318 2010.283 295.0139 2124.267 295.4960 2261.872 295.9781 2400.050 296.4602 2531.434 296.9424 2660.438 297.4245 2793.354 297.9066 2931.934 298.3887 3067.239 298.8708 3186.567 299.3529 3302.593 299.8351 3440.286 300.3172 3609.372 300.7993 3790.637 301.2814 3958.814 301.7635 4112.251 302.2456 4266.669 302.7278 4418.904 303.2099 4575.436 303.6920 4747.237 304.1741 4937.720 304.6562 5130.907 305.1383 5309.579 305.6205 5472.149 306.1026 5638.877 306.5847 5818.777 307.0668 6000.658 307.5489 6167.460 308.0310 6317.916 308.5132 6474.968 308.9953 6665.669 309.4774 6891.606 309.9595 7096.469 310.4416 7262.925 310.9237 7418.382 311.4059 7583.978 311.8880 7759.819 312.3701 7936.276 312.8522 8106.391 313.3343 8269.764 313.8164 8439.757 314.2986 8630.256 314.7807 8813.742 315.2628 8972.168 315.7449 9108.068 316.2270 9239.115 316.7091 9378.670 317.1913 9520.219 317.6734 9628.551 318.1555 9679.903 318.6376 9729.560 319.1197 9827.829 319.6018 9941.582 320.0840 9991.541 320.5661 9935.634 321.0482 9796.846 321.5303 9646.417 322.0124 9475.377 322.4945 9306.924 322.9767 9137.976 323.4588 8976.430 323.9409 8837.281 324.4230 8727.011 324.9051 8634.336 325.3872 8534.658 325.8694 8423.589 326.3515 8312.639 326.8336 8197.559 327.3157 8087.325 327.7978 7996.715 328.2799 7927.447 328.7621 7859.854 329.2442 7763.682 329.7263 7616.463 330.2084 7496.687 330.6905 7433.061 331.1726 7374.941 331.6548 7277.860 332.1369 7140.880 332.6190 6999.392 333.1011 6892.701 333.5832 6829.394 334.0653 6767.218 334.5475 6715.499 335.0296 6653.736 335.5117 6563.025 335.9938 6452.110 336.4759 6345.394 336.9580 6260.972 337.4402 6198.029 337.9223 6140.288 338.4044 6122.571 338.8865 6073.467 339.3686 5953.773 339.8507 5793.595 340.3329 5646.279 340.8150 5542.837 341.2971 5470.315 341.7792 5371.713 342.2613 5228.952 342.7434 5080.319 343.2256 4929.881 343.7077 4776.562 344.1898 4617.683 344.6719 4452.317 345.1540 4284.273 345.6361 4120.834 346.1183 3969.755 346.6004 3808.367 347.0825 3630.572 347.5646 3448.228 348.0467 3264.683 348.5288 3083.684 349.0110 2910.648 349.4931 2754.187 349.9752 2615.129 350.4573 2487.256 350.9394 2381.741 351.4215 2276.443 351.9037 2161.334 352.3858 2036.521 352.8679 1906.994 353.3500 1769.268 353.8321 1624.811 354.3142 1517.475 354.7964 1471.039 355.2785 1436.568 355.7606 1397.577 356.2427 1354.890 356.7248 1310.487 357.2069 1262.812 357.6891 1216.170 358.1712 1183.439 358.6533 1166.276 359.1354 1159.450 359.6175 1154.453 360.0996 1159.968 360.5818 1190.633 361.0639 1256.850 361.5460 1335.272 362.0281 1384.518 362.5102 1397.745 362.9923 1446.027 363.4745 1578.613 363.9566 1740.925 364.4387 1879.950 364.9208 1989.089 365.4029 2086.667 365.8850 2188.180 366.3672 2290.820 366.8493 2382.012 367.3314 2461.361 367.8135 2523.551 368.2956 2567.397 368.7777 2593.812 369.2599 2595.381 369.7420 2559.212 370.2241 2499.070 370.7062 2438.928 371.1883 2382.375 371.6704 2319.183 372.1526 2235.983 372.6347 2135.920 373.1168 2038.511 373.5989 1954.081 374.0810 1866.853 374.5631 1759.010 375.0453 1632.479 375.5274 1508.873 376.0095 1402.552 376.4916 1307.690 376.9737 1197.972 377.4558 1052.266 377.9380 916.7764 378.4201 818.1099 378.9022 740.0811 379.3843 652.7388 379.8664 544.1782 380.3485 421.2822 380.8307 298.9312 381.3128 163.4966 381.7949 53.73828 382.2770 18.14258 382.7591 68.87354 383.2412 106.4097 383.7234 135.1328 384.2055 167.1074 384.6876 218.0273 385.1697 296.6401 385.6518 356.7671 386.1339 396.7329 386.6161 423.6562 387.0982 437.6855 387.5803 441.5083 388.0624 440.3872 388.5445 438.8750 389.0266 435.9883 389.5088 420.4736 389.9909 369.7109 390.4730 332.1685 390.9551 330.2104 391.4372 341.2705 391.9193 336.1670 392.4015 302.0112 392.8836 250.6133 393.3657 206.2969 393.8478 174.7910 394.3299 136.5220 394.8120 86.28613 395.2942 30.69824 395.7763 27.31494 396.2584 86.90332 396.7405 146.3931 397.2226 202.5166 397.7047 255.0684 398.1869 314.6138 398.6690 383.1533 399.1511 458.0508 399.6332 540.0859 400.1153 626.7319 400.5974 711.2124 401.0796 784.9673 401.5617 855.6182 402.0438 940.1387 402.5259 1039.491 403.0080 1149.041 403.4901 1268.453 403.9723 1396.556 404.4544 1532.739 404.9365 1682.736 405.4186 1831.511 405.9007 1957.424 406.3828 2066.814 406.8650 2196.393 407.3471 2363.544 407.8292 2551.288 408.3113 2731.625 408.7934 2900.030 409.2755 3079.125 409.7577 3292.215 410.2398 3513.198 410.7219 3706.045 411.2040 3864.217 411.6861 3998.107 412.1682 4112.108 412.6504 4201.942 413.1325 4307.872 413.6146 4447.686 414.0967 4587.636 414.5788 4722.253 415.0609 4843.239 415.5431 4930.299 416.0252 4968.360 416.5073 4966.244 416.9894 4966.887 417.4715 4990.324 417.9536 4991.901 418.4358 4950.931 418.9179 4893.883 419.4000 4851.580 419.8821 4832.378 420.3642 4816.974 420.8463 4774.676 421.3285 4694.821 421.8106 4620.114 422.2927 4552.592 422.7748 4488.161 423.2569 4432.001 423.7390 4378.797 424.2212 4311.049 424.7033 4206.455 425.1854 4075.013 425.6675 3980.492 426.1496 3947.828 426.6317 3911.941 427.1139 3851.026 427.5960 3772.292 428.0781 3680.869 428.5602 3575.858 429.0423 3469.424 429.5244 3376.593 430.0066 3297.533 430.4887 3225.240 430.9708 3160.706 431.4529 3099.672 431.9350 3038.214 432.4171 2976.174 432.8993 2912.503 433.3814 2846.648 433.8635 2779.566 434.3456 2710.509 434.8277 2638.865 435.3098 2569.978 435.7920 2508.694 436.2741 2454.807 436.7562 2402.085 437.2383 2344.554 437.7204 2292.847 438.2025 2258.329 438.6847 2235.558 439.1668 2207.146 439.6489 2163.642 440.1310 2110.482 440.6131 2064.264 441.0952 2037.169 441.5774 1999.660 442.0595 1940.482 442.5416 1874.844 443.0237 1819.810 443.5058 1777.326 443.9879 1731.962 444.4701 1663.640 444.9522 1568.175 445.4343 1483.660 445.9164 1426.542 446.3985 1364.720 446.8806 1283.735 447.3628 1192.567 447.8449 1109.010 448.3270 1040.506 448.8091 981.6714 449.2912 923.2554 449.7733 867.8687 450.2555 810.2859 450.7376 744.6306 451.2197 679.5437 451.7018 619.6548 452.1839 566.6550 452.6660 521.2515 453.1482 483.7351 453.6303 454.3999 454.1124 434.8479 454.5945 426.2585 455.0766 419.9719 455.5587 409.2104 456.0409 395.4805 456.5230 383.8247 457.0051 376.4580 457.4872 370.6819 457.9693 366.8469 458.4514 363.4316 458.9336 351.9521 459.4157 326.2996 459.8978 292.6521 460.3799 268.0969 460.8620 255.8879 461.3441 244.9197 461.8262 233.8296 462.3083 222.7312 462.7905 213.8154 463.2726 206.5728 463.7547 194.9189 464.2368 170.4902 464.7189 130.3279 465.2010 105.3801 465.6832 111.1111 466.1653 114.2388 466.6474 104.2478 467.1295 84.90503 467.6116 61.46582 468.0938 36.24756 468.5759 12.40356 469.0580 1.814697 469.5401 3.871094 470.0222 3.717285 470.5043 2.374512 470.9865 6.282227 471.4686 1.044189 471.9507 12.99146 472.4328 27.92383 472.9149 39.93567 473.3970 48.23572 473.8792 48.68823 474.3613 38.89771 474.8434 27.95764 475.3255 21.87756 475.8076 18.71411 476.2897 15.04895 476.7719 11.51440 477.2540 6.244507 477.7361 4.920532 478.2182 19.26025 478.7003 26.78625 479.1824 22.64514 479.6646 15.62451 480.1467 20.62463 480.6288 43.46826 481.1109 59.68359 481.5930 61.18677 482.0751 61.16614 482.5573 70.73987 483.0394 88.34033 483.5215 103.9808 484.0036 109.8969 484.4857 108.0594 484.9678 111.9044 485.4500 128.4597 485.9321 141.5591 486.4142 146.9651 486.8963 149.2017 487.3784 152.3243 487.8605 157.5034 488.3427 163.8306 488.8248 169.8123 489.3069 175.3348 489.7890 185.2062 490.2711 211.1919 490.7532 225.2219 491.2354 203.1171 491.7175 158.9730 492.1996 125.6726 492.6817 121.2751 493.1638 127.8455 493.6459 122.3127 494.1281 105.9241 494.6102 97.58142 495.0923 108.1006 495.5744 125.7737 496.0565 129.4414 496.5386 117.2034 497.0208 103.7939 497.5029 89.27515 497.9850 77.19495 498.4671 72.93311 498.9492 75.94055 499.4313 79.50293 499.9135 78.58838 500.3956 73.40125 500.8777 65.79846 501.3598 46.97571 501.8419 36.51306 502.3240 42.41345 502.8062 56.20984 503.2883 70.57556 503.7704 82.66638 504.2525 89.90283 504.7346 86.25916 505.2167 69.28394 505.6989 59.67468 506.1810 60.93555 506.6631 66.72107 507.1452 74.72217 507.6273 84.61194 508.1094 95.96741 508.5916 109.1252 509.0737 123.0742 509.5558 138.7538 510.0379 155.7999 510.5200 163.5549 511.0021 153.3810 511.4843 138.0115 511.9664 137.6726 512.4485 153.7620 512.9306 169.7889 513.4127 185.4103 513.8948 196.6168 514.3770 196.8425 514.8591 187.2440 515.3412 177.1230 515.8233 172.7971 516.3054 173.5894 516.7875 175.5332 517.2697 180.4327 517.7518 184.3333 518.2339 186.5638 518.7160 187.7250 519.1981 188.2251 519.6802 188.2123 520.1624 188.0104 520.6445 188.6278 521.1266 190.1781 521.6087 187.0910 522.0908 172.0222 522.5729 163.0006 523.0551 174.5961 523.5372 195.6713 524.0193 207.0056 524.5014 199.9169 524.9835 187.2120 525.4656 180.5251 525.9478 178.9492 526.4299 178.7919 526.9120 180.1637 527.3941 182.0497 527.8762 183.1614 528.3583 183.9504 528.8405 182.0844 529.3226 175.3594 529.8047 166.1993 530.2868 155.0168 530.7689 142.9466 531.2510 133.0002 531.7332 127.3470 532.2153 124.1907 532.6974 116.8371 533.1795 96.76166 533.6616 87.35925 534.1437 98.54297 534.6259 111.2540 535.1080 112.3384 535.5901 103.9761 536.0722 96.95306 536.5543 98.81372 537.0364 106.6215 537.5186 113.3875 538.0007 120.4756 538.4828 124.5790 538.9649 122.0185 539.4470 115.8567 539.9291 108.9179 540.4113 100.9404 540.8934 97.17987 541.3755 104.6837 541.8576 116.0592 542.3397 118.5827 542.8218 111.1881 543.3040 103.9198 543.7861 104.2850 544.2682 111.0844 544.7503 115.0920 545.2324 116.6901 545.7145 115.4196 546.1967 107.1456 546.6788 98.13794 547.1609 95.56329 547.6430 100.8075 548.1251 109.6521 548.6072 117.8066 549.0894 124.9709 549.5715 130.1491 550.0536 135.1947 550.5357 136.0457 551.0178 126.1330 551.4999 113.4352 551.9821 109.7297 552.4642 120.1367 552.9463 134.0096 553.4284 141.8205 553.9105 144.5728 554.3926 146.3721 554.8748 147.6385 555.3569 149.3916 555.8390 153.4026 556.3211 159.7521 556.8032 163.6138 557.2853 163.6655 557.7675 162.3781 558.2496 159.9198 558.7317 157.0524 559.2138 155.2657 559.6959 155.2579 560.1780 155.5667 560.6602 153.0887 561.1423 145.9190 561.6244 143.5485 562.1065 154.4124 562.5886 161.4727 563.0707 154.7324 563.5529 140.5470 564.0350 131.6786 564.5171 135.3733 564.9992 141.3369 565.4813 133.7458 565.9634 113.5954 566.4456 96.86395 566.9277 85.65613 567.4098 81.35522 567.8919 89.26575 568.3740 107.6253 568.8561 120.9548 569.3383 125.0283 569.8204 125.4817 570.3025 126.1995 570.7846 126.3529 571.2667 122.4178 571.7488 112.7524 572.2310 102.0474 572.7131 99.81537 573.1952 112.7795 573.6773 115.0238 574.1594 96.36188 574.6415 77.96991 575.1237 68.99731 575.6058 67.26434 576.0879 66.78168 576.5700 64.49615 577.0521 62.61340 577.5342 66.53748 578.0164 76.22638 578.4985 79.28436 578.9806 70.58069 579.4627 57.70660 579.9448 47.66772 580.4269 40.29565 580.9091 34.62531 581.3912 30.95160 581.8733 28.40247 582.3554 27.49255 582.8375 27.13898 583.3196 24.31940 583.8018 17.77026 584.2839 10.39685 584.7660 7.299866 585.2481 9.965637 585.7302 12.65735 586.2123 17.33008 586.6945 20.04999 587.1766 16.44116 587.6587 10.01282 588.1408 8.333069 588.6229 16.03558 589.1050 26.23663 589.5872 28.23499 590.0693 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