#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:27:59 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1116 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000546.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_1000546 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 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 R080096.rod _rod_data_source.block 3500000 _rod_database.code 1000546 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 152.3059 0.0000000E+00 152.7880 4.249512 153.2701 8.364868 153.7522 11.71008 154.2344 16.25391 154.7165 16.78125 155.1986 17.66345 155.6807 20.86304 156.1628 17.20081 156.6449 13.13855 157.1271 9.012695 157.6092 4.536499 158.0913 1.402588 158.5734 5.664307 159.0555 6.599731 159.5376 5.086304 160.0198 3.554688 160.5019 3.741821 160.9840 4.662598 161.4661 2.958252 161.9482 2.231934 162.4303 8.933228 162.9125 15.93567 163.3946 23.23926 163.8767 31.21338 164.3588 40.66992 164.8409 50.66565 165.3230 59.62964 165.8052 66.39648 166.2873 72.77307 166.7694 80.85217 167.2515 90.81482 167.7336 102.0236 168.2157 115.0634 168.6979 128.8888 169.1800 142.3823 169.6621 154.9548 170.1442 166.9777 170.6263 179.1814 171.1084 189.5901 171.5906 203.7716 172.0727 225.0917 172.5548 250.3958 173.0369 275.2092 173.5190 296.5018 174.0011 314.9500 174.4833 336.2948 174.9654 362.9348 175.4475 390.5565 175.9296 417.9130 176.4117 445.5254 176.8938 475.1466 177.3760 508.5082 177.8581 545.8237 178.3402 578.2363 178.8223 606.0751 179.3044 629.4238 179.7865 647.4136 180.2687 660.6243 180.7508 670.5300 181.2329 678.4191 181.7150 684.2444 182.1971 685.0400 182.6792 681.5516 183.1614 673.4307 183.6435 660.3132 184.1256 642.2490 184.6077 619.3162 185.0898 590.1272 185.5719 554.2704 186.0541 522.3630 186.5362 495.8673 187.0183 472.7227 187.5004 451.3909 187.9825 431.6755 188.4646 413.7587 188.9468 398.0660 189.4289 384.4233 189.9110 372.1490 190.3931 359.6638 190.8752 348.9351 191.3573 343.6499 191.8395 345.3925 192.3216 348.9016 192.8037 350.0930 193.2858 349.8538 193.7679 350.1990 194.2500 351.8712 194.7322 354.7772 195.2143 358.9751 195.6964 365.7003 196.1785 371.7565 196.6606 376.6218 197.1427 379.7682 197.6249 379.8342 198.1070 374.4783 198.5891 364.4492 199.0712 357.4261 199.5533 355.0715 200.0354 354.2384 200.5176 353.3088 200.9997 352.8308 201.4818 354.2562 201.9639 359.1390 202.4460 367.5813 202.9281 375.1160 203.4103 376.9056 203.8924 382.2595 204.3745 395.3975 204.8566 414.8541 205.3387 436.2849 205.8208 455.9475 206.3030 473.6138 206.7851 492.4098 207.2672 511.7942 207.7493 532.6664 208.2314 555.0709 208.7135 579.1530 209.1957 605.2659 209.6778 633.8846 210.1599 664.2568 210.6420 694.7834 211.1241 723.3013 211.6062 753.6133 212.0884 787.0664 212.5705 823.8983 213.0526 864.8057 213.5347 911.4005 214.0168 964.6200 214.4989 1014.300 214.9811 1053.500 215.4632 1094.886 215.9453 1149.805 216.4274 1217.897 216.9095 1285.638 217.3916 1340.134 217.8737 1381.285 218.3559 1428.489 218.8380 1487.533 219.3201 1549.686 219.8022 1607.674 220.2843 1660.937 220.7664 1713.146 221.2486 1768.558 221.7307 1825.792 222.2128 1876.890 222.6949 1918.888 223.1770 1955.817 223.6591 1992.361 224.1413 2029.345 224.6234 2061.011 225.1055 2081.463 225.5876 2093.255 226.0697 2099.557 226.5518 2098.976 227.0340 2094.492 227.5161 2089.727 227.9982 2084.149 228.4803 2079.765 228.9624 2075.684 229.4445 2073.780 229.9267 2077.145 230.4088 2087.042 230.8909 2102.524 231.3730 2123.364 231.8551 2152.580 232.3372 2180.068 232.8194 2202.074 233.3015 2219.734 233.7836 2234.204 234.2657 2245.821 234.7478 2255.449 235.2299 2265.242 235.7121 2277.770 236.1942 2284.225 236.6763 2283.572 237.1584 2276.177 237.6405 2261.903 238.1227 2240.052 238.6048 2212.563 239.0869 2184.317 239.5690 2155.205 240.0511 2125.173 240.5332 2093.802 241.0154 2061.886 241.4975 2029.489 241.9796 1996.550 242.4617 1965.306 242.9438 1941.673 243.4259 1926.588 243.9081 1918.908 244.3902 1919.044 244.8723 1925.231 245.3544 1935.944 245.8365 1950.612 246.3186 1969.382 246.8008 1992.828 247.2829 2021.969 247.7650 2055.090 248.2471 2092.197 248.7292 2132.758 249.2113 2176.896 249.6935 2224.505 250.1756 2274.375 250.6577 2324.195 251.1398 2371.753 251.6219 2422.379 252.1040 2478.192 252.5862 2535.396 253.0683 2591.811 253.5504 2646.269 254.0325 2697.432 254.5146 2743.025 254.9967 2781.431 255.4789 2815.510 255.9610 2850.821 256.4431 2878.728 256.9252 2893.144 257.4073 2892.325 257.8894 2876.075 258.3716 2844.117 258.8537 2793.664 259.3358 2728.603 259.8179 2643.655 260.3000 2547.122 260.7821 2446.393 261.2643 2342.426 261.7464 2231.035 262.2285 2105.470 262.7106 1960.695 263.1927 1821.369 263.6748 1687.914 264.1570 1560.310 264.6391 1439.472 265.1212 1325.393 265.6033 1217.271 266.0854 1115.652 266.5675 1021.487 267.0497 932.8865 267.5318 851.1245 268.0139 774.4541 268.4960 699.8950 268.9781 627.8376 269.4602 564.5359 269.9424 518.0326 270.4245 486.1200 270.9066 447.6532 271.3887 393.7782 271.8708 339.4402 272.3529 296.0836 272.8351 263.2875 273.3172 235.2537 273.7993 209.6525 274.2814 186.1362 274.7635 162.6454 275.2456 137.7781 275.7278 114.6150 276.2099 95.82202 276.6920 81.05273 277.1741 67.42981 277.6562 53.55408 278.1383 40.28137 278.6205 29.25623 279.1026 21.14893 279.5847 13.55823 280.0668 4.643677 280.5489 5.338623 281.0310 14.64124 281.5132 22.84485 281.9953 29.78906 282.4774 35.34680 282.9595 39.35718 283.4416 43.01575 283.9237 47.26343 284.4059 51.81873 284.8880 55.58948 285.3701 58.41882 285.8522 60.09900 286.3343 60.64172 286.8164 60.09180 287.2986 58.50171 287.7807 55.06128 288.2628 50.48608 288.7449 47.49866 289.2270 47.56567 289.7091 47.21130 290.1913 42.77625 290.6734 35.34839 291.1555 28.72791 291.6376 25.89514 292.1197 25.03784 292.6018 21.87268 293.0840 16.01575 293.5661 8.232178 294.0482 0.9681400 294.5303 11.55603 295.0124 23.95435 295.4945 38.73804 295.9767 55.12976 296.4588 71.40222 296.9409 86.99329 297.4230 104.4694 297.9051 124.0547 298.3872 146.7875 298.8694 174.7573 299.3515 209.1788 299.8336 248.0289 300.3157 287.9065 300.7978 328.1876 301.2799 374.7528 301.7621 430.9081 302.2442 494.6028 302.7263 566.1819 303.2084 646.6683 303.6905 730.0281 304.1726 812.8486 304.6548 895.1974 305.1369 970.8949 305.6190 1037.048 306.1011 1096.829 306.5832 1151.934 307.0653 1202.586 307.5475 1250.239 308.0296 1292.027 308.5117 1329.093 308.9938 1376.971 309.4759 1440.490 309.9580 1512.906 310.4402 1588.568 310.9223 1667.674 311.4044 1751.749 311.8865 1841.468 312.3686 1936.451 312.8507 2036.904 313.3329 2143.763 313.8150 2254.885 314.2971 2370.530 314.7792 2489.615 315.2613 2610.528 315.7434 2730.672 316.2256 2854.070 316.7077 2989.453 317.1898 3139.143 317.6719 3298.222 318.1540 3460.926 318.6361 3633.073 319.1183 3824.396 319.6004 4041.998 320.0825 4270.495 320.5646 4499.662 321.0467 4735.479 321.5288 4934.526 322.0110 5103.959 322.4931 5213.103 322.9752 5235.993 323.4573 5168.324 323.9394 5016.145 324.4215 4766.989 324.9037 4423.942 325.3858 4052.735 325.8679 3631.444 326.3500 3219.925 326.8321 2850.005 327.3142 2522.704 327.7964 2239.925 328.2785 2006.466 328.7606 1819.929 329.2427 1667.640 329.7248 1554.479 330.2069 1469.272 330.6891 1407.528 331.1712 1365.023 331.6533 1334.090 332.1354 1315.739 332.6175 1304.547 333.0996 1289.708 333.5818 1270.398 334.0639 1249.806 334.5460 1226.466 335.0281 1203.833 335.5102 1185.875 335.9923 1173.075 336.4745 1166.172 336.9566 1165.273 337.4387 1170.238 337.9208 1183.523 338.4029 1207.346 338.8850 1238.889 339.3671 1275.217 339.8492 1316.419 340.3314 1361.630 340.8135 1410.411 341.2956 1463.064 341.7777 1518.354 342.2598 1574.780 342.7419 1636.213 343.2241 1704.300 343.7062 1779.219 344.1883 1861.590 344.6704 1952.335 345.1525 2050.799 345.6346 2155.035 346.1168 2263.992 346.5989 2381.400 347.0810 2515.499 347.5631 2658.816 348.0452 2801.015 348.5273 2944.345 349.0095 3081.233 349.4916 3209.633 349.9737 3329.436 350.4558 3418.810 350.9379 3463.188 351.4200 3470.014 351.9022 3455.215 352.3843 3415.785 352.8664 3363.903 353.3485 3298.946 353.8306 3226.266 354.3127 3166.374 354.7949 3123.456 355.2770 3097.885 355.7591 3092.244 356.2412 3105.555 356.7233 3124.728 357.2054 3146.839 357.6876 3171.267 358.1697 3199.770 358.6518 3233.940 359.1339 3262.401 359.6160 3272.112 360.0981 3266.299 360.5803 3262.250 361.0624 3261.328 361.5445 3263.196 362.0266 3262.810 362.5087 3262.271 362.9908 3276.961 363.4730 3316.069 363.9551 3376.968 364.4372 3449.258 364.9193 3536.727 365.4014 3627.430 365.8835 3720.723 366.3657 3813.060 366.8478 3900.679 367.3299 3983.870 367.8120 4053.827 368.2941 4094.395 368.7762 4102.555 369.2584 4098.338 369.7405 4083.365 370.2226 4058.067 370.7047 4023.645 371.1868 3979.625 371.6689 3924.404 372.1511 3859.326 372.6332 3783.331 373.1153 3671.213 373.5974 3519.092 374.0795 3337.986 374.5616 3119.318 375.0438 2874.933 375.5259 2625.818 376.0080 2382.488 376.4901 2148.941 376.9722 1941.950 377.4543 1766.701 377.9365 1611.000 378.4186 1477.574 378.9007 1361.079 379.3828 1257.682 379.8649 1165.947 380.3470 1085.135 380.8292 1014.842 381.3113 957.3761 381.7934 904.3246 382.2755 856.6151 382.7576 811.8495 383.2397 768.1564 383.7219 725.9629 384.2040 688.3371 384.6861 658.4173 385.1682 635.4766 385.6503 609.0490 386.1324 574.7098 386.6146 541.8016 387.0967 512.5574 387.5788 485.7351 388.0609 459.7935 388.5430 434.1897 389.0251 408.5199 389.5073 381.5682 389.9894 351.5490 390.4715 324.2875 390.9536 300.0571 391.4357 278.2510 391.9178 259.1678 392.4000 242.3782 392.8821 226.1270 393.3642 208.4368 393.8463 189.1689 394.3284 171.8433 394.8105 156.5685 395.2927 143.1887 395.7748 132.0338 396.2569 122.5872 396.7390 114.0359 397.2211 106.1191 397.7032 98.57843 398.1854 90.65039 398.6675 81.70880 399.1496 74.25415 399.6317 70.29327 400.1138 67.24194 400.5959 63.33636 401.0781 58.27637 401.5602 52.56299 402.0423 45.73029 402.5244 38.10803 403.0065 33.70953 403.4886 35.48352 403.9708 36.93884 404.4529 32.52124 404.9350 24.11420 405.4171 16.94110 405.8992 13.35498 406.3813 12.26471 406.8635 12.83344 407.3456 15.42267 407.8277 16.14209 408.3098 11.30273 408.7919 4.190491 409.2740 0.6593020 409.7562 2.291199 410.2383 4.123352 410.7204 2.775574 411.2025 0.7824100 411.6846 3.793640 412.1667 5.596741 412.6489 6.680359 413.1310 7.611877 413.6131 8.424072 414.0952 8.671692 414.5773 7.845520 415.0594 6.698853 415.5416 5.697327 416.0237 4.949707 416.5058 4.903259 416.9879 6.092102 417.4700 8.149963 417.9521 9.068481 418.4343 7.609436 418.9164 6.671265 419.3985 7.591980 419.8806 9.354675 420.3627 10.48608 420.8448 10.53326 421.3270 9.918579 421.8091 9.162292 422.2912 7.942383 422.7733 7.544250 423.2554 8.837280 423.7375 10.15466 424.2197 10.50330 424.7018 9.941956 425.1839 8.848206 425.6660 7.335022 426.1481 5.670715 426.6302 5.848816 427.1124 11.64240 427.5945 14.56348 428.0766 10.88159 428.5587 5.230042 429.0408 2.552734 429.5229 4.238098 430.0051 7.647522 430.4872 9.189026 430.9693 8.533813 431.4514 7.314087 431.9335 4.791077 432.4156 2.368042 432.8978 0.2747800 433.3799 1.279236 433.8620 1.826233 434.3441 0.7058110 434.8262 1.307495 435.3083 1.861938 435.7905 0.4766240 436.2726 0.9147340 436.7547 1.375793 437.2368 1.689575 437.7189 2.774780 438.2010 4.874451 438.6832 6.676758 439.1653 6.528137 439.6474 4.900146 440.1295 4.555115 440.6116 6.457581 441.0938 8.655579 441.5759 9.099487 442.0580 8.400330 442.5401 8.468201 443.0222 10.48816 443.5043 13.04639 443.9865 15.10339 444.4686 16.59125 444.9507 16.68567 445.4328 14.19763 445.9149 10.92163 446.3970 11.41339 446.8792 17.21405 447.3613 21.55890 447.8434 21.48950 448.3255 19.50256 448.8076 18.63220 449.2897 19.38239 449.7719 20.57556 450.2540 21.10876 450.7361 20.93689 451.2182 20.98560 451.7003 21.49017 452.1824 21.94659 452.6646 21.97980 453.1467 21.99768 453.6288 22.55402 454.1109 23.74268 454.5930 25.30182 455.0751 27.00690 455.5573 29.65753 456.0394 31.10236 456.5215 30.24469 457.0036 29.27692 457.4857 29.45319 457.9678 30.58417 458.4500 31.86725 458.9321 32.69324 459.4142 33.08868 459.8963 33.11499 460.3784 32.46686 460.8605 31.98907 461.3427 31.45996 461.8248 31.35840 462.3069 32.53162 462.7890 35.35626 463.2711 38.58405 463.7532 40.70374 464.2354 41.43915 464.7175 41.50909 465.1996 41.07263 465.6817 40.53210 466.1638 39.81671 466.6459 39.04755 467.1281 38.66138 467.6102 39.05444 468.0923 39.66803 468.5744 39.71375 469.0565 39.25562 469.5386 39.30817 470.0208 40.42432 470.5029 42.04877 470.9850 43.37781 471.4671 44.58948 471.9492 44.91455 472.4313 42.98645 472.9135 40.81238 473.3956 40.73511 473.8777 42.84027 474.3598 45.57367 474.8419 48.06378 475.3240 50.12189 475.8062 50.18982 476.2883 47.14703 476.7704 43.85754 477.2525 39.75500 477.7346 36.10498 478.2167 35.07153 478.6989 37.06598 479.1810 39.81116 479.6631 40.13416 480.1452 37.24316 480.6273 35.89270 481.1094 37.81982 481.5916 39.23926 482.0737 38.90692 482.5558 37.47034 483.0379 35.80713 483.5200 34.22974 484.0021 33.22144 484.4843 33.97925 484.9664 36.82080 485.4485 38.21521 485.9306 36.71759 486.4127 34.95874 486.8948 34.54529 487.3770 35.02844 487.8591 35.03516 488.3412 33.90479 488.8233 32.13641 489.3054 30.49866 489.7875 29.12622 490.2697 27.55573 490.7518 25.33813 491.2339 22.83063 491.7160 20.53119 492.1981 17.94971 492.6802 16.59021 493.1624 18.59009 493.6445 21.93866 494.1266 23.36475 494.6087 22.27631 495.0908 20.14581 495.5729 18.11768 496.0551 16.25043 496.5372 15.07056 497.0193 14.76050 497.5014 14.59369 497.9835 14.57196 498.4656 14.66058 498.9478 14.61243 499.4299 14.30658 499.9120 14.01129 500.3941 14.26996 500.8762 15.43256 501.3583 16.04651 501.8405 15.98206 502.3226 15.43207 502.8047 13.97064 503.2868 12.08661 503.7689 10.66821 504.2510 10.28455 504.7331 10.64569 505.2152 11.02905 505.6974 11.41248 506.1795 11.66797 506.6616 11.71509 507.1437 11.71118 507.6258 11.94781 508.1079 12.30634 508.5901 12.15747 509.0722 11.09656 509.5543 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