#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:36:02 +0300 (Thu, 24 May 2018) $ #$Revision: 760 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000264.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_1000264 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 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 R070720.rod _rod_data_source.block 3500000 _rod_database.code 1000264 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 190.0342 153.6836 190.5163 124.3271 190.9984 86.77051 191.4805 63.82910 191.9627 87.71973 192.4448 152.7266 192.9269 192.3096 193.4090 192.3652 193.8911 163.4434 194.3732 132.1514 194.8554 97.19336 195.3375 64.05664 195.8196 36.43457 196.3017 14.50293 196.7838 1.528320 197.2659 4.559570 197.7481 19.29980 198.2302 12.76270 198.7123 19.39355 199.1944 59.06543 199.6765 82.13672 200.1586 86.12793 200.6408 94.70801 201.1229 116.1431 201.6050 150.1904 202.0871 192.7026 202.5692 248.9346 203.0513 305.8994 203.5335 340.6914 204.0156 350.2617 204.4977 351.4946 204.9798 345.2856 205.4619 327.2842 205.9440 338.2207 206.4262 390.2153 206.9083 464.1611 207.3904 507.2466 207.8725 507.8193 208.3546 250.6040 208.8367 43.74854 209.3189 101.7363 209.8010 255.8618 210.2831 433.4731 210.7652 625.7412 211.2473 785.9907 211.7294 906.8247 212.2116 1015.982 212.6937 1135.161 213.1758 1270.875 213.6579 1396.987 214.1400 1508.578 214.6221 1606.265 215.1043 1698.747 215.5864 1780.875 216.0685 1865.997 216.5506 1970.044 217.0327 2103.187 217.5148 2227.834 217.9970 2335.153 218.4791 2424.093 218.9612 2504.673 219.4433 2574.132 219.9254 2637.449 220.4075 2701.194 220.8897 2765.990 221.3718 2830.193 221.8539 2897.107 222.3360 2972.901 222.8181 3021.803 223.3002 3028.575 223.7824 3017.112 224.2645 3035.185 224.7466 3098.980 225.2287 3166.943 225.7108 3226.656 226.1929 3283.666 226.6750 3315.695 227.1572 3310.750 227.6393 3284.686 228.1214 3279.596 228.6035 3308.308 229.0856 3339.394 229.5677 3355.788 230.0499 3344.489 230.5320 3348.254 231.0141 3377.515 231.4962 3423.084 231.9783 3447.697 232.4604 3441.099 232.9426 3425.463 233.4247 3414.851 233.9068 3412.917 234.3889 3412.959 234.8710 3415.620 235.3531 3419.209 235.8353 3416.115 236.3174 3399.581 236.7995 3386.655 237.2816 3390.299 237.7637 3418.214 238.2458 3443.803 238.7280 3465.639 239.2101 3485.247 239.6922 3490.430 240.1743 3472.712 240.6564 3448.592 241.1385 3432.960 241.6207 3427.774 242.1028 3429.855 242.5849 3438.573 243.0670 3452.577 243.5491 3474.233 244.0313 3505.572 244.5134 3542.386 244.9955 3580.580 245.4776 3622.762 245.9597 3664.904 246.4418 3712.493 246.9240 3771.777 247.4061 3791.554 247.8882 3747.180 248.3703 3679.834 248.8524 3653.994 249.3345 3707.538 249.8167 3740.683 250.2988 3717.336 250.7809 3617.013 251.2630 3536.169 251.7451 3487.459 252.2272 3450.349 252.7094 3386.084 253.1915 3279.029 253.6736 3170.770 254.1557 3075.936 254.6378 2997.135 255.1199 2925.417 255.6021 2866.911 256.0842 2812.611 256.5663 2739.928 257.0484 2631.031 257.5305 2534.200 258.0126 2475.583 258.4948 2474.139 258.9769 2455.173 259.4590 2411.173 259.9411 2350.594 260.4232 2295.573 260.9053 2244.248 261.3875 2202.938 261.8696 2178.478 262.3517 2177.084 262.8338 2172.642 263.3159 2157.863 263.7980 2139.496 264.2802 2143.797 264.7623 2175.878 265.2444 2218.343 265.7265 2265.042 266.2086 2325.707 266.6907 2394.798 267.1729 2462.000 267.6550 2530.678 268.1371 2625.260 268.6192 2755.409 269.1013 2887.144 269.5834 2989.692 270.0656 3049.584 270.5477 3135.978 271.0298 3264.725 271.5119 3423.704 271.9940 3566.862 272.4761 3692.462 272.9583 3803.445 273.4404 3905.744 273.9225 4001.706 274.4046 4074.833 274.8867 4121.583 275.3688 4144.745 275.8510 4161.879 276.3331 4178.399 276.8152 4171.646 277.2973 4119.957 277.7794 4020.755 278.2615 3900.271 278.7437 3758.100 279.2258 3599.186 279.7079 3447.141 280.1900 3304.383 280.6721 3159.499 281.1542 3001.868 281.6364 2830.587 282.1185 2653.278 282.6006 2463.396 283.0827 2269.668 283.5648 2109.983 284.0469 1987.578 284.5291 1882.362 285.0112 1771.280 285.4933 1655.037 285.9754 1561.115 286.4575 1499.286 286.9396 1464.468 287.4217 1441.676 287.9038 1430.776 288.3860 1430.484 288.8681 1440.570 289.3502 1460.394 289.8323 1487.743 290.3144 1519.903 290.7965 1558.939 291.2787 1614.058 291.7608 1686.826 292.2429 1761.816 292.7250 1823.017 293.2071 1873.612 293.6892 1928.852 294.1714 1990.707 294.6535 2060.984 295.1356 2143.480 295.6177 2238.815 296.0998 2348.889 296.5819 2491.320 297.0641 2655.317 297.5462 2800.605 298.0283 2900.851 298.5104 2981.274 298.9925 3086.727 299.4746 3217.941 299.9568 3354.294 300.4389 3479.715 300.9210 3596.989 301.4031 3716.895 301.8852 3845.398 302.3673 3974.867 302.8495 4097.329 303.3316 4211.457 303.8137 4321.883 304.2958 4425.796 304.7779 4528.110 305.2600 4635.649 305.7422 4760.995 306.2243 4886.258 306.7064 4990.947 307.1885 5076.855 307.6706 5158.995 308.1527 5256.700 308.6349 5356.165 309.1170 5436.120 309.5991 5457.469 310.0812 5480.751 310.5633 5565.708 311.0454 5709.012 311.5276 5837.376 312.0097 5890.100 312.4918 5909.882 312.9739 5945.142 313.4560 6024.743 313.9381 6114.502 314.4203 6196.593 314.9024 6272.352 315.3845 6345.107 315.8666 6427.552 316.3487 6503.058 316.8308 6555.882 317.3130 6566.116 317.7951 6566.799 318.2772 6578.690 318.7593 6598.628 319.2414 6588.821 319.7235 6518.666 320.2057 6423.059 320.6878 6329.723 321.1699 6265.884 321.6520 6183.579 322.1341 6061.512 322.6162 5903.808 323.0984 5755.766 323.5805 5616.201 324.0626 5495.202 324.5447 5399.696 325.0268 5360.249 325.5089 5317.563 325.9911 5257.918 326.4732 5184.528 326.9553 5125.516 327.4374 5093.094 327.9195 5066.953 328.4016 5036.268 328.8838 4994.751 329.3659 4954.298 329.8480 4911.046 330.3301 4865.689 330.8122 4824.614 331.2943 4777.393 331.7765 4744.431 332.2586 4742.067 332.7407 4806.572 333.2228 4832.165 333.7049 4792.088 334.1870 4706.698 334.6692 4664.992 335.1513 4697.091 335.6334 4724.438 336.1155 4700.916 336.5976 4609.697 337.0797 4520.626 337.5619 4437.690 338.0440 4360.652 338.5261 4295.548 339.0082 4250.494 339.4903 4193.293 339.9724 4107.322 340.4546 3990.395 340.9367 3854.572 341.4188 3695.288 341.9009 3521.648 342.3830 3344.191 342.8651 3161.289 343.3473 2997.237 343.8294 2883.558 344.3115 2813.396 344.7936 2704.284 345.2757 2543.397 345.7578 2362.117 346.2400 2203.290 346.7221 2068.133 347.2042 1940.476 347.6863 1812.415 348.1684 1684.739 348.6505 1557.542 349.1327 1428.289 349.6148 1303.401 350.0969 1184.508 350.5790 1073.994 351.0611 981.9932 351.5432 919.2910 352.0254 876.0107 352.5075 840.9355 352.9896 815.1396 353.4717 782.9971 353.9538 717.2188 354.4359 635.3096 354.9181 573.9805 355.4002 554.7334 355.8823 559.7949 356.3644 578.5967 356.8465 611.0518 357.3286 643.2158 357.8108 654.8281 358.2929 664.1709 358.7750 694.9336 359.2571 763.0615 359.7392 848.9414 360.2213 944.1504 360.7035 1048.401 361.1856 1160.133 361.6677 1274.110 362.1498 1397.045 362.6319 1535.779 363.1140 1702.556 363.5962 1874.377 364.0783 2048.110 364.5604 2222.675 365.0425 2391.366 365.5246 2556.148 366.0067 2712.625 366.4889 2857.980 366.9710 3019.592 367.4531 3139.528 367.9352 3209.312 368.4173 3232.609 368.8994 3223.970 369.3815 3156.659 369.8636 3081.893 370.3458 3024.679 370.8279 3017.153 371.3100 2970.728 371.7921 2876.631 372.2742 2745.281 372.7563 2598.786 373.2385 2428.313 373.7206 2259.379 374.2027 2107.462 374.6848 1982.641 375.1669 1831.938 375.6490 1639.932 376.1312 1438.048 376.6133 1279.498 377.0954 1174.365 377.5775 1069.965 378.0596 941.9473 378.5417 793.7803 379.0239 654.0229 379.5060 524.2178 379.9881 402.4448 380.4702 286.1333 380.9523 174.5430 381.4344 81.30371 381.9166 17.16211 382.3987 26.84961 382.8808 88.04395 383.3629 167.2876 383.8450 241.0967 384.3271 275.9888 384.8093 285.1567 385.2914 309.4585 385.7735 374.7422 386.2556 447.4917 386.7377 477.6011 387.2198 468.5459 387.7020 447.8281 388.1841 426.4185 388.6662 407.4043 389.1483 397.0396 389.6304 405.5503 390.1125 408.1743 390.5947 384.4287 391.0768 339.1206 391.5589 287.5044 392.0410 232.5288 392.5231 176.9956 393.0052 122.7427 393.4874 70.79297 393.9695 18.64990 394.4516 25.45508 394.9337 71.34033 395.4158 137.0156 395.8979 236.1812 396.3801 348.3491 396.8622 470.1294 397.3443 608.9062 397.8264 728.6206 398.3085 804.0386 398.7906 864.0010 399.2728 942.9194 399.7549 1046.661 400.2370 1164.125 400.7191 1297.615 401.2012 1448.657 401.6833 1592.841 402.1655 1715.527 402.6476 1844.610 403.1297 2005.078 403.6118 2206.839 404.0939 2417.875 404.5760 2635.282 405.0582 2857.756 405.5403 3073.323 406.0224 3278.062 406.5045 3482.625 406.9866 3688.684 407.4688 3895.562 407.9509 4126.817 408.4330 4392.884 408.9151 4675.814 409.3972 4946.714 409.8793 5204.783 410.3615 5436.320 410.8436 5616.044 411.3257 5761.072 411.8078 5940.638 412.2899 6169.302 412.7720 6393.631 413.2542 6545.541 413.7363 6640.254 414.2184 6719.826 414.7005 6812.332 415.1826 6890.650 415.6647 6920.978 416.1469 6902.943 416.6290 6867.245 417.1111 6830.674 417.5932 6791.160 418.0753 6747.261 418.5574 6704.820 419.0396 6647.268 419.5217 6567.180 420.0038 6467.015 420.4859 6348.802 420.9680 6207.262 421.4501 6048.148 421.9323 5880.452 422.4144 5679.196 422.8965 5504.220 423.3786 5380.940 423.8607 5292.000 424.3428 5186.565 424.8250 5053.073 425.3071 4906.769 425.7892 4751.669 426.2713 4572.739 426.7534 4418.673 427.2355 4298.338 427.7177 4196.364 428.1998 4093.354 428.6819 3988.455 429.1640 3885.381 429.6461 3780.264 430.1282 3674.522 430.6104 3586.462 431.0925 3522.815 431.5746 3459.437 432.0567 3366.597 432.5388 3243.423 433.0209 3138.230 433.5031 3063.198 433.9852 3010.088 434.4673 2962.762 434.9494 2921.480 435.4315 2872.026 435.9136 2797.881 436.3958 2708.783 436.8779 2629.165 437.3600 2564.852 437.8421 2508.206 438.3242 2451.211 438.8063 2394.677 439.2885 2341.710 439.7706 2294.533 440.2527 2250.507 440.7348 2209.784 441.2169 2171.996 441.6990 2125.440 442.1812 2056.887 442.6633 1981.137 443.1454 1912.518 443.6275 1872.448 444.1096 1819.528 444.5917 1735.262 445.0739 1623.229 445.5560 1518.413 446.0381 1432.238 446.5202 1352.062 447.0023 1270.689 447.4844 1182.096 447.9666 1098.068 448.4487 1021.173 448.9308 950.3447 449.4129 878.7891 449.8950 802.4741 450.3771 736.0000 450.8592 685.2075 451.3413 651.7876 451.8235 627.5625 452.3056 615.6250 452.7877 607.0669 453.2698 587.6577 453.7519 555.5786 454.2340 524.5557 454.7162 498.3765 455.1983 476.2627 455.6804 451.0640 456.1625 421.9517 456.6446 400.4385 457.1267 405.8389 457.6089 426.8491 458.0910 428.6328 458.5731 397.1431 459.0552 356.8833 459.5373 339.7510 460.0194 339.8193 460.5016 336.3560 460.9837 316.5024 461.4658 288.6318 461.9479 259.4038 462.4300 229.4492 462.9121 200.0688 463.3943 168.5981 463.8764 139.2607 464.3585 118.3838 464.8406 116.5508 465.3227 114.7476 465.8048 107.4331 466.2870 94.43970 466.7691 78.09595 467.2512 48.45532 467.7333 22.32251 468.2154 10.41211 468.6975 26.59668 469.1797 34.44702 469.6618 32.53613 470.1439 21.54321 470.6260 0.3032230 471.1081 42.56812 471.5902 72.51221 472.0724 70.63013 472.5545 34.40649 473.0366 14.00903 473.5187 11.30249 474.0008 19.01807 474.4829 34.04053 474.9651 55.02515 475.4472 64.41284 475.9293 50.09253 476.4114 25.32959 476.8935 21.74902 477.3756 37.20239 477.8578 47.58936 478.3399 24.81055 478.8220 11.41821 479.3041 30.11353 479.7862 20.22852 480.2683 5.032227 480.7505 1.960449 481.2326 1.212402 481.7147 5.977295 482.1968 23.41016 482.6789 43.10693 483.1610 60.17334 483.6432 73.65601 484.1253 90.58521 484.6074 122.9780 485.0895 154.1475 485.5716 169.7183 486.0537 146.1677 486.5359 133.6016 487.0180 139.8977 487.5001 161.0442 487.9822 180.1045 488.4643 203.2678 488.9464 214.1980 489.4286 199.3071 489.9107 150.6707 490.3928 121.9043 490.8749 117.7405 491.3570 125.7380 491.8391 128.7803 492.3213 127.0247 492.8034 122.9631 493.2855 118.1997 493.7676 111.7900 494.2497 96.52856 494.7318 73.06860 495.2140 56.90698 495.6961 70.10474 496.1782 97.44141 496.6603 111.3145 497.1424 100.7830 497.6245 87.07324 498.1067 88.42236 498.5888 99.27002 499.0709 106.5708 499.5530 99.23730 500.0351 90.83667 500.5172 89.09277 500.9994 95.79102 501.4815 101.5234 501.9636 100.2295 502.4457 98.90234 502.9278 103.9321 503.4099 129.5339 503.8921 143.7112 504.3742 137.1929 504.8563 116.5720 505.3384 110.5159 505.8205 126.9246 506.3026 143.0259 506.7848 145.5891 507.2669 131.3120 507.7490 129.8430 508.2311 145.1125 508.7132 164.2351 509.1953 167.0940 509.6775 155.5662 510.1596 150.1511 510.6417 161.0347 511.1238 179.5903 511.6059 188.6782 512.0880 189.0017 512.5701 188.4790 513.0522 192.7898 513.5344 199.2197 514.0165 203.6465 514.4986 203.7236 514.9807 206.3882 515.4628 223.4895 515.9449 244.9995 516.4271 253.8936 516.9092 226.7510 517.3913 202.9304 517.8734 201.7749 518.3555 225.1335 518.8376 238.6726 519.3198 230.2463 519.8019 216.8491 520.2840 208.5645 520.7661 208.9446 521.2482 206.8989 521.7303 199.4475 522.2125 190.7185 522.6946 191.9827 523.1767 206.0669 523.6588 217.2593 524.1409 217.9548 524.6230 209.6558 525.1052 202.6406 525.5873 196.8557 526.0694 191.8193 526.5515 188.4924 527.0336 186.1365 527.5157 183.7974 527.9979 181.5674 528.4800 177.8740 528.9621 167.8689 529.4442 154.3840 529.9263 145.7004 530.4084 153.3093 530.8906 163.7529 531.3727 165.4451 531.8548 155.3362 532.3369 148.4788 532.8190 153.8835 533.3011 163.1138 533.7833 169.1621 534.2654 176.4194 534.7475 173.3462 535.2296 150.4607 535.7117 115.3081 536.1938 96.26978 536.6760 99.69312 537.1581 107.2415 537.6402 112.4075 538.1223 115.2373 538.6044 108.9138 539.0865 90.60132 539.5687 73.39307 540.0508 76.25757 540.5329 96.05469 541.0150 109.8359 541.4971 109.1084 541.9792 102.8457 542.4614 108.1787 542.9435 121.9294 543.4256 129.6575 543.9077 114.6406 544.3898 93.41235 544.8719 82.29126 545.3541 83.99561 545.8362 89.29932 546.3183 95.48828 546.8004 102.1025 547.2825 108.5317 547.7646 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