#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:42:53 +0300 (Thu, 07 Jun 2018) $ #$Revision: 948 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000416.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_1000416 loop_ _publ_author_name 'Shannon, R. D.' 'Calvo, C.' _publ_section_title ; Refinement of the crystal structure of synthetic chervetite, Pb2V2O7 ; _journal_name_full 'Canadian Journal of Chemistry' _journal_page_first 70 _journal_page_last 76 _journal_paper_doi 10.1139/v73-010 _journal_volume 51 _journal_year 1973 _chemical_compound_source Synthetic _chemical_formula_sum 'O7 Pb2 V2' _chemical_name_mineral Chervetite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _cell_angle_alpha 90 _cell_angle_beta 105.935 _cell_angle_gamma 90 _cell_length_a 13.3689 _cell_length_b 7.1607 _cell_length_c 7.1027 _cell_volume 653.819 _exptl_crystal_density_diffrn 6.383 _cod_original_formula_sum 'Pb2 V2 O7' _cod_database_code 9014475 _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 R080096.rod _rod_data_source.block 3500000 _rod_database.code 1000416 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 9014475 COD http://www.crystallography.net/cod/9014475.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 149.2433 0.0000000E+00 149.7254 24.25269 150.2075 33.46326 150.6896 45.22620 151.1718 40.15527 151.6539 18.98022 152.1360 37.11804 152.6181 31.40015 153.1002 36.07727 153.5823 39.88257 154.0645 21.22461 154.5466 6.2259999E-03 155.0287 10.55286 155.5108 2.873535 155.9929 12.05042 156.4750 9.621826 156.9572 1.502319 157.4393 9.565063 157.9214 13.20422 158.4035 12.46191 158.8856 7.393555 159.3677 2.665283 159.8499 16.35364 160.3320 35.03357 160.8141 57.78467 161.2962 79.28577 161.7783 95.29980 162.2604 110.1456 162.7426 127.3806 163.2247 152.0396 163.7068 175.8217 164.1889 194.7079 164.6710 208.7339 165.1531 221.7662 165.6353 234.6960 166.1174 247.8864 166.5995 261.7288 167.0816 277.5400 167.5637 293.1371 168.0458 307.4072 168.5280 320.1754 169.0101 331.5571 169.4922 337.0616 169.9743 341.9171 170.4564 353.4221 170.9385 376.4484 171.4207 406.1990 171.9028 439.3223 172.3849 475.5912 172.8670 513.9299 173.3491 555.9337 173.8312 599.6207 174.3134 641.3679 174.7955 680.8281 175.2776 716.5259 175.7597 740.6787 176.2418 750.6523 176.7239 769.7324 177.2061 836.1680 177.6882 932.3774 178.1703 1009.290 178.6524 1036.325 179.1345 1031.475 179.6166 1022.355 180.0988 1009.934 180.5809 996.0383 181.0630 984.9497 181.5451 974.9042 182.0272 959.2595 182.5093 931.4330 182.9915 895.3818 183.4736 863.2413 183.9557 837.5526 184.4378 808.4543 184.9199 754.5962 185.4020 680.8325 185.8842 614.4225 186.3663 575.3503 186.8484 557.0040 187.3305 537.0883 187.8126 513.2972 188.2947 488.7065 188.7769 467.5469 189.2590 449.7654 189.7411 434.6116 190.2232 419.6165 190.7053 405.9346 191.1874 401.9701 191.6696 410.7222 192.1517 424.8807 192.6338 432.1414 193.1159 432.4579 193.5980 427.2247 194.0801 413.2224 194.5623 391.5959 195.0444 378.8352 195.5265 378.2285 196.0086 384.7234 196.4907 388.7239 196.9728 390.2408 197.4550 389.1169 197.9371 384.5842 198.4192 376.5919 198.9013 368.3442 199.3834 359.9818 199.8655 351.6948 200.3477 341.8059 200.8298 328.6450 201.3119 321.7979 201.7940 329.6489 202.2761 353.7969 202.7582 374.1602 203.2404 387.5634 203.7225 397.1952 204.2046 411.9543 204.6867 432.5964 205.1688 455.8933 205.6509 479.3215 206.1331 502.5020 206.6152 528.9110 207.0973 557.8904 207.5794 590.1724 208.0615 626.5293 208.5436 668.5331 209.0258 710.6167 209.5079 748.2214 209.9900 779.6101 210.4721 813.9126 210.9542 852.7719 211.4363 894.7151 211.9185 934.1467 212.4006 967.6930 212.8827 1004.929 213.3648 1052.846 213.8469 1113.301 214.3290 1174.462 214.8112 1234.753 215.2933 1294.842 215.7754 1360.744 216.2575 1435.333 216.7396 1510.978 217.2217 1582.516 217.7038 1648.426 218.1860 1713.961 218.6681 1779.251 219.1502 1844.056 219.6323 1907.838 220.1144 1973.541 220.5965 2032.329 221.0787 2078.157 221.5608 2107.060 222.0429 2134.677 222.5250 2160.026 223.0071 2184.570 223.4892 2215.908 223.9714 2265.448 224.4535 2303.767 224.9356 2312.682 225.4177 2277.516 225.8998 2248.813 226.3819 2230.155 226.8641 2219.818 227.3462 2211.422 227.8283 2202.464 228.3104 2198.201 228.7925 2199.730 229.2746 2201.162 229.7568 2220.111 230.2389 2261.715 230.7210 2322.586 231.2031 2389.096 231.6852 2465.414 232.1673 2537.477 232.6495 2599.370 233.1316 2651.078 233.6137 2695.275 234.0958 2728.409 234.5779 2753.045 235.0600 2778.039 235.5422 2808.496 236.0243 2832.714 236.5064 2845.619 236.9885 2844.423 237.4706 2838.360 237.9527 2829.356 238.4349 2815.076 238.9170 2787.426 239.3991 2733.170 239.8812 2685.339 240.3633 2660.325 240.8454 2672.915 241.3276 2670.145 241.8097 2639.719 242.2918 2598.575 242.7739 2585.402 243.2560 2613.351 243.7381 2648.965 244.2203 2679.667 244.7024 2702.122 245.1845 2728.611 245.6666 2756.801 246.1487 2790.099 246.6308 2836.257 247.1130 2899.641 247.5951 2969.104 248.0772 3041.150 248.5593 3117.585 249.0414 3190.511 249.5235 3255.269 250.0057 3319.304 250.4878 3397.944 250.9699 3501.858 251.4520 3601.627 251.9341 3686.042 252.4162 3752.255 252.8984 3819.858 253.3805 3892.120 253.8626 3963.741 254.3447 4027.040 254.8268 4088.448 255.3089 4130.678 255.7911 4148.914 256.2732 4143.106 256.7553 4115.455 257.2374 4064.584 257.7195 3992.867 258.2017 3904.063 258.6838 3799.604 259.1659 3672.421 259.6480 3513.449 260.1301 3322.610 260.6122 3141.660 261.0944 2975.398 261.5765 2812.168 262.0586 2637.188 262.5407 2445.038 263.0228 2257.221 263.5049 2078.965 263.9871 1908.837 264.4692 1749.729 264.9513 1597.997 265.4334 1460.788 265.9155 1346.732 266.3976 1267.632 266.8798 1177.758 267.3619 1064.474 267.8440 931.6899 268.3261 820.1763 268.8082 733.9312 269.2903 660.8455 269.7725 593.2438 270.2546 532.5061 270.7367 474.7212 271.2188 419.5427 271.7009 367.4998 272.1830 319.3138 272.6652 275.0198 273.1473 235.5226 273.6294 201.4741 274.1115 173.4291 274.5936 148.1326 275.0757 125.4569 275.5579 104.8799 276.0400 86.01318 276.5221 69.19604 277.0042 52.68481 277.4863 34.91577 277.9684 15.63049 278.4506 1.455078 278.9327 16.18982 279.4148 28.49927 279.8969 38.06848 280.3790 44.79749 280.8611 49.48535 281.3433 51.48474 281.8254 50.84705 282.3075 52.24817 282.7896 55.82812 283.2717 61.48315 283.7538 70.56909 284.2360 83.31616 284.7181 93.55945 285.2002 99.43201 285.6823 100.8075 286.1644 94.10071 286.6465 77.25012 287.1287 59.95715 287.6108 58.33069 288.0929 71.28076 288.5750 78.34143 289.0571 67.45227 289.5392 44.45703 290.0214 34.56091 290.5035 39.08838 290.9856 45.83826 291.4677 42.56738 291.9498 30.22180 292.4319 14.91821 292.9141 1.532837 293.3962 19.82263 293.8783 41.98389 294.3604 67.97668 294.8425 96.01025 295.3246 124.4075 295.8068 153.8450 296.2889 185.7289 296.7710 220.0950 297.2531 257.9530 297.7352 300.2654 298.2173 346.8734 298.6995 398.4731 299.1816 449.9835 299.6637 507.0811 300.1458 581.4469 300.6279 678.0598 301.1100 787.5874 301.5922 897.7051 302.0743 1009.759 302.5564 1128.752 303.0385 1259.377 303.5206 1398.661 304.0027 1547.473 304.4849 1706.717 304.9670 1866.207 305.4491 2014.069 305.9312 2152.976 306.4133 2289.386 306.8954 2427.388 307.3776 2564.322 307.8597 2695.313 308.3418 2821.179 308.8239 2942.728 309.3060 3049.387 309.7881 3155.137 310.2703 3278.464 310.7524 3436.964 311.2345 3609.880 311.7166 3779.581 312.1987 3946.238 312.6808 4122.140 313.1630 4317.716 313.6451 4526.535 314.1272 4743.338 314.6093 4957.644 315.0914 5184.724 315.5735 5421.242 316.0557 5671.093 316.5378 5955.253 317.0199 6293.056 317.5020 6660.944 317.9841 7050.350 318.4662 7474.105 318.9484 7884.796 319.4305 8280.746 319.9126 8653.037 320.3947 8978.142 320.8768 9336.949 321.3589 9580.712 321.8411 9636.145 322.3232 9479.476 322.8053 9167.929 323.2874 8659.660 323.7695 8012.589 324.2516 7318.391 324.7338 6495.249 325.2159 5715.190 325.6980 5027.027 326.1801 4434.167 326.6622 3920.383 327.1443 3486.068 327.6265 3125.207 328.1086 2831.464 328.5907 2637.313 329.0728 2476.407 329.5549 2340.416 330.0370 2228.926 330.5192 2148.106 331.0013 2118.172 331.4834 2101.119 331.9655 2070.938 332.4476 2023.208 332.9297 1968.705 333.4119 1901.153 333.8940 1826.829 334.3761 1775.231 334.8582 1753.421 335.3403 1744.651 335.8224 1740.037 336.3046 1735.458 336.7867 1745.736 337.2688 1774.652 337.7509 1816.155 338.2330 1857.207 338.7151 1894.107 339.1973 1941.982 339.6794 2007.916 340.1615 2091.558 340.6436 2186.304 341.1257 2293.408 341.6078 2406.148 342.0899 2511.678 342.5721 2606.398 343.0542 2720.908 343.5363 2868.083 344.0184 3041.199 344.5005 3212.946 344.9826 3380.824 345.4648 3554.622 345.9469 3741.890 346.4290 3944.069 346.9111 4153.001 347.3932 4377.781 347.8753 4597.101 348.3575 4764.518 348.8396 4881.329 349.3217 4972.713 349.8038 5064.462 350.2859 5142.104 350.7680 5162.574 351.2502 5112.030 351.7323 5034.833 352.2144 4967.233 352.6965 4912.199 353.1786 4880.878 353.6607 4883.011 354.1429 4909.746 354.6250 4953.861 355.1071 5015.475 355.5892 5085.140 356.0713 5168.900 356.5534 5253.101 357.0356 5317.638 357.5177 5356.436 357.9998 5371.885 358.4819 5355.833 358.9640 5313.132 359.4461 5270.892 359.9283 5238.085 360.4104 5213.836 360.8925 5195.508 361.3746 5170.604 361.8567 5173.421 362.3388 5231.811 362.8210 5327.502 363.3031 5421.139 363.7852 5489.189 364.2673 5561.114 364.7494 5655.088 365.2315 5782.402 365.7137 5897.903 366.1958 6001.684 366.6779 6085.309 367.1600 6139.200 367.6421 6164.694 368.1242 6156.882 368.6064 6106.312 369.0885 6010.981 369.5706 5916.499 370.0527 5830.997 370.5348 5739.260 371.0169 5632.595 371.4991 5531.947 371.9812 5383.402 372.4633 5179.864 372.9454 4924.992 373.4275 4633.034 373.9096 4283.008 374.3918 3927.156 374.8739 3590.528 375.3560 3264.726 375.8381 2975.049 376.3202 2726.576 376.8023 2513.108 377.2845 2328.557 377.7666 2176.230 378.2487 2039.419 378.7308 1916.141 379.2129 1805.390 379.6950 1712.525 380.1772 1637.682 380.6593 1575.455 381.1414 1523.661 381.6235 1482.101 382.1056 1439.843 382.5877 1393.952 383.0699 1345.733 383.5520 1298.193 384.0341 1251.427 384.5162 1206.098 384.9983 1162.464 385.4804 1119.272 385.9626 1074.569 386.4447 1028.598 386.9268 979.9377 387.4089 925.6707 387.8910 867.3350 388.3731 809.5408 388.8553 750.6425 389.3374 694.8486 389.8195 649.7047 390.3016 615.4213 390.7837 579.3987 391.2658 529.5035 391.7480 475.5338 392.2301 427.9625 392.7122 391.8341 393.1943 359.8374 393.6764 328.8722 394.1585 299.4993 394.6407 274.0020 395.1228 252.9185 395.6049 235.9484 396.0870 224.0379 396.5691 220.2205 397.0512 212.2295 397.5334 194.0652 398.0155 171.6681 398.4976 152.5887 398.9797 140.9115 399.4618 128.7275 399.9439 113.5887 400.4261 95.59595 400.9082 80.77380 401.3903 67.85522 401.8724 59.13696 402.3545 56.92059 402.8366 66.06067 403.3188 71.21375 403.8009 70.87592 404.2830 66.36053 404.7651 60.46545 405.2472 52.56232 405.7293 45.26489 406.2115 39.70544 406.6936 36.01160 407.1757 33.00708 407.6578 31.18073 408.1399 28.95813 408.6220 23.75024 409.1042 15.75409 409.5863 7.969910 410.0684 0.4627690 410.5505 5.684021 411.0326 6.952881 411.5147 3.549622 411.9969 1.134216 412.4790 5.598328 412.9611 13.99872 413.4432 19.40735 413.9253 21.02252 414.4074 19.40857 414.8896 11.84790 415.3717 1.369019 415.8538 4.816711 416.3359 1.330322 416.8180 10.38422 417.3001 12.53210 417.7823 7.914429 418.2644 4.997864 418.7465 11.69922 419.2286 21.17151 419.7107 26.65247 420.1928 24.72278 420.6750 20.91083 421.1571 16.00134 421.6392 10.68427 422.1213 6.825012 422.6034 4.827148 423.0855 4.471680 423.5677 6.580811 424.0498 12.82153 424.5319 15.56152 425.0140 11.02185 425.4961 4.236450 425.9782 0.3399660 426.4604 2.110535 426.9425 2.604309 427.4246 3.6804002E-02 427.9067 5.087158 428.3888 7.338318 428.8709 5.798035 429.3531 3.257080 429.8352 1.523376 430.3173 1.246460 430.7994 2.101318 431.2815 10.20865 431.7636 18.93863 432.2458 19.97186 432.7279 12.73544 433.2100 7.753021 433.6921 10.67700 434.1742 18.41104 434.6563 18.65344 435.1385 11.25671 435.6206 2.589722 436.1027 2.063690 436.5848 3.744598 437.0669 5.703125 437.5490 9.396118 438.0312 11.37698 438.5133 4.656311 438.9954 7.369080 439.4775 15.34216 439.9596 9.918060 440.4417 1.141602 440.9239 0.5726930 441.4060 5.379333 441.8881 8.974152 442.3702 2.820251 442.8523 7.677002 443.3344 17.49884 443.8166 28.44092 444.2987 34.96988 444.7808 31.88263 445.2629 22.60004 445.7450 17.10327 446.2271 23.57050 446.7093 29.05081 447.1914 27.47690 447.6735 14.85776 448.1556 7.705963 448.6377 9.018036 449.1198 13.87033 449.6020 17.46967 450.0841 18.97311 450.5662 20.79904 451.0483 23.90671 451.5304 27.77859 452.0125 29.26111 452.4947 26.96265 452.9768 25.78198 453.4589 30.48865 453.9410 41.56750 454.4231 45.43512 454.9052 40.27908 455.3874 32.92560 455.8695 33.79132 456.3516 41.53870 456.8337 45.93488 457.3158 41.36533 457.7979 33.66995 458.2801 34.08722 458.7622 41.47299 459.2443 48.46198 459.7264 50.30371 460.2085 49.43582 460.6906 48.37473 461.1728 46.95694 461.6549 45.70825 462.1370 45.76266 462.6191 46.86517 463.1012 48.53201 463.5833 52.00854 464.0655 53.79816 464.5476 49.82764 465.0297 41.51126 465.5118 39.08569 465.9939 52.07056 466.4760 66.97318 466.9582 76.69116 467.4403 77.56052 467.9224 77.92166 468.4045 76.41373 468.8866 74.51028 469.3687 75.12222 469.8509 80.94473 470.3330 85.48608 470.8151 86.86578 471.2972 84.88461 471.7793 81.95477 472.2614 77.82562 472.7436 74.94662 473.2257 75.94870 473.7078 80.80356 474.1899 81.66562 474.6720 76.61371 475.1541 69.55841 475.6363 66.20731 476.1184 66.37250 476.6005 68.74673 477.0826 75.85770 477.5647 83.30725 478.0468 81.57700 478.5290 71.39447 479.0111 61.81628 479.4932 60.17108 479.9753 62.88297 480.4574 65.69696 480.9395 67.65488 481.4217 69.95227 481.9038 74.99008 482.3859 80.68521 482.8680 83.79657 483.3501 80.41269 483.8322 75.98502 484.3144 71.61182 484.7965 67.82269 485.2786 66.14822 485.7607 69.83997 486.2428 72.67252 486.7249 71.37561 487.2071 62.31250 487.6892 57.08072 488.1713 57.08600 488.6534 59.89413 489.1355 62.21384 489.6176 64.24225 490.0998 65.76825 490.5819 67.91312 491.0640 69.81616 491.5461 65.62210 492.0282 53.96463 492.5103 44.14886 492.9925 44.83408 493.4746 53.90729 493.9567 58.94684 494.4388 58.31348 494.9209 56.89844 495.4030 62.75061 495.8852 72.28720 496.3673 76.33002 496.8494 68.02600 497.3315 55.52298 497.8136 46.43698 498.2957 40.50787 498.7779 35.68280 499.2600 28.05286 499.7421 22.61270 500.2242 25.37613 500.7063 40.10281 501.1884 49.88464 501.6706 43.88242 502.1527 32.62415 502.6348 26.92578 503.1169 36.25360 503.5990 41.20151 504.0811 37.65228 504.5633 28.22681 505.0454 23.11481 505.5275 24.88043 506.0096 25.73856 506.4917 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