#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:42:01 +0300 (Thu, 07 Jun 2018) $ #$Revision: 934 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000405.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_1000405 loop_ _publ_author_name 'Gonzalez del Tanago, J.' 'La Iglesia, A.' 'Rius, J.' 'Santin, S. F.' _publ_section_title ; Calderonite, a new lead-iron-vanadate of the brackebuschite group ; _journal_name_full 'American Mineralogist' _journal_page_first 1703 _journal_page_last 1708 _journal_volume 88 _journal_year 2003 _chemical_compound_source R060427 _chemical_formula_sum 'Fe H O9 Pb1.937 V1.912' _chemical_name_mineral Calderonite _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90 _cell_angle_beta 112.23 _cell_angle_gamma 90 _cell_length_a 7.649 _cell_length_b 6.101 _cell_length_c 8.904 _cell_volume 384.635 _exptl_crystal_density_diffrn 6.041 _cod_original_cell_volume 384.634 _cod_original_formula_sum 'V1.912 Fe Pb1.937 O9 H' _cod_database_code 9003094 _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 R060427.rod _rod_data_source.block 3500000 _rod_database.code 1000405 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 9003094 COD http://www.crystallography.net/cod/9003094.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 172.5130 0.0000000E+00 172.9951 4.371887 173.4772 8.179565 173.9593 11.13608 174.4414 12.55328 174.9236 13.24176 175.4057 14.25269 175.8878 15.71295 176.3699 16.93372 176.8520 17.24609 177.3341 16.97156 177.8163 16.53036 178.2984 15.42664 178.7805 14.29504 179.2626 14.04013 179.7447 14.39526 180.2268 14.62094 180.7090 13.86514 181.1911 12.37061 181.6732 11.08600 182.1553 9.585846 182.6374 8.710083 183.1195 9.374817 183.6017 9.442108 184.0838 9.443420 184.5659 8.411957 185.0480 6.449890 185.5301 4.426575 186.0123 3.636322 186.4944 3.770020 186.9765 3.584015 187.4586 2.989349 187.9407 2.284760 188.4228 1.924255 188.9050 1.907990 189.3871 1.828369 189.8692 1.384705 190.3513 0.7371220 190.8334 0.6916810 191.3155 1.462646 191.7977 2.390839 192.2798 2.018585 192.7619 0.3647460 193.2440 0.5316470 193.7261 0.9598690 194.2082 4.558899 194.6904 6.984924 195.1725 7.920441 195.6546 7.943848 196.1367 7.799011 196.6188 7.418671 197.1009 7.693085 197.5831 9.492462 198.0652 12.80704 198.5473 15.48517 199.0294 17.25403 199.5115 18.53064 199.9937 19.95874 200.4758 21.40103 200.9579 23.25974 201.4400 26.07770 201.9221 29.28772 202.4042 31.98431 202.8864 35.30923 203.3685 38.35001 203.8506 40.84744 204.3327 43.36288 204.8148 46.97931 205.2969 51.63675 205.7791 57.04758 206.2612 61.11356 206.7433 63.94272 207.2254 66.47351 207.7075 69.87720 208.1896 74.26553 208.6718 77.51387 209.1539 78.63336 209.6360 76.92888 210.1181 76.25696 210.6002 77.17575 211.0823 78.99652 211.5645 81.16922 212.0466 84.69193 212.5287 87.63535 213.0108 87.96426 213.4929 84.96347 213.9750 83.32986 214.4572 83.40891 214.9393 84.68060 215.4214 85.27206 215.9035 85.10500 216.3856 83.92526 216.8678 81.79335 217.3499 78.37582 217.8320 75.08519 218.3141 72.08289 218.7962 69.25369 219.2783 66.31790 219.7605 63.40436 220.2426 60.16551 220.7247 56.25792 221.2068 51.13895 221.6889 46.97232 222.1710 44.22856 222.6532 42.41786 223.1353 40.03632 223.6174 36.73956 224.0995 33.42899 224.5816 30.65012 225.0637 28.81837 225.5459 26.34158 226.0280 22.72290 226.5101 18.52228 226.9922 15.66653 227.4743 14.95670 227.9564 14.29950 228.4386 12.63235 228.9207 9.528290 229.4028 6.426910 229.8849 3.040222 230.3670 1.100922 230.8492 0.3391720 231.3313 1.662933 231.8134 2.788452 232.2955 2.494232 232.7776 0.3290100 233.2597 1.884537 233.7419 1.527039 234.2240 5.9204001E-02 234.7061 0.4079900 235.1882 0.4861150 235.6703 1.810562 236.1524 3.314987 236.6346 5.498154 237.1167 6.684784 237.5988 6.629028 238.0809 5.674332 238.5630 4.535904 239.0451 2.951950 239.5273 1.598206 240.0094 0.7161870 240.4915 0.2729190 240.9736 0.4482420 241.4557 1.553711 241.9378 3.127060 242.4200 4.231369 242.9021 4.788803 243.3842 5.019974 243.8663 4.890137 244.3484 4.081390 244.8306 3.869141 245.3127 4.592621 245.7948 5.747162 246.2769 6.372681 246.7590 6.189362 247.2411 5.945801 247.7233 5.947449 248.2054 6.350372 248.6875 6.370728 249.1696 5.638092 249.6517 4.734985 250.1338 4.708679 250.6160 6.039642 251.0981 7.531189 251.5802 8.804047 252.0623 9.967651 252.5444 10.17767 253.0265 8.945313 253.5087 7.222260 253.9908 6.452026 254.4729 7.141907 254.9550 7.718964 255.4371 7.640442 255.9192 6.782104 256.4014 6.253815 256.8835 6.207550 257.3656 6.359100 257.8477 6.403015 258.3298 6.495697 258.8120 6.110779 259.2941 4.901672 259.7762 2.770569 260.2583 1.448792 260.7404 1.313538 261.2225 1.510376 261.7047 1.057953 262.1868 0.3078610 262.6689 1.619415 263.1510 2.711304 263.6331 3.567200 264.1152 4.335876 264.5974 5.126495 265.0795 5.643860 265.5616 5.356201 266.0437 3.789612 266.5258 3.059784 267.0079 3.776672 267.4901 5.763275 267.9722 7.330139 268.4543 8.485718 268.9364 9.274597 269.4185 9.616669 269.9006 9.344452 270.3828 9.376495 270.8649 9.947327 271.3470 10.92770 271.8291 11.75473 272.3112 12.45996 272.7933 12.96252 273.2755 12.99167 273.7576 12.37173 274.2397 12.44977 274.7218 13.44431 275.2039 15.18594 275.6860 17.28015 276.1682 19.86282 276.6503 22.39014 277.1324 24.16296 277.6145 24.99564 278.0966 27.51837 278.5787 32.47424 279.0609 38.58472 279.5430 42.66599 280.0251 44.25385 280.5072 46.63617 280.9893 52.50778 281.4715 61.78668 281.9536 68.36139 282.4357 71.21405 282.9178 72.78268 283.3999 77.42569 283.8820 85.28253 284.3642 93.49332 284.8463 100.5554 285.3284 106.6685 285.8105 113.6628 286.2926 121.6971 286.7747 130.1402 287.2569 138.0326 287.7390 145.3512 288.2211 152.9706 288.7032 161.3045 289.1853 170.3914 289.6674 180.1818 290.1496 190.7498 290.6317 201.2122 291.1138 210.7048 291.5959 219.5158 292.0780 228.4484 292.5602 237.7880 293.0423 247.3267 293.5244 256.7152 294.0065 265.8930 294.4886 275.0309 294.9707 285.4117 295.4529 296.4022 295.9350 305.0972 296.4171 310.1245 296.8992 313.2278 297.3813 317.2921 297.8634 322.1788 298.3456 326.9051 298.8277 330.5144 299.3098 333.2879 299.7919 335.9280 300.2740 338.6525 300.7561 341.2504 301.2383 343.2918 301.7204 344.8918 302.2025 346.2893 302.6846 346.9633 303.1667 347.6100 303.6488 349.3683 304.1310 352.4538 304.6131 356.6551 305.0952 361.3176 305.5773 366.7777 306.0594 373.9257 306.5415 384.6868 307.0237 396.7899 307.5058 407.4916 307.9879 416.0599 308.4700 425.5532 308.9521 438.7412 309.4343 454.5076 309.9164 471.1399 310.3985 488.3470 310.8806 506.1957 311.3627 524.2092 311.8448 542.4508 312.3270 562.5344 312.8091 585.7427 313.2912 611.3683 313.7733 638.5728 314.2554 667.8076 314.7375 697.8170 315.2197 727.7652 315.7018 757.9807 316.1839 788.9277 316.6660 819.7535 317.1481 852.2104 317.6302 887.3642 318.1124 926.7180 318.5945 967.3546 319.0766 1009.143 319.5587 1051.760 320.0408 1094.666 320.5229 1137.712 321.0051 1180.956 321.4872 1224.618 321.9693 1268.343 322.4514 1312.268 322.9335 1358.175 323.4156 1404.146 323.8978 1446.487 324.3799 1482.015 324.8620 1516.035 325.3441 1551.063 325.8262 1588.446 326.3083 1622.009 326.7905 1650.570 327.2726 1675.404 327.7547 1697.721 328.2368 1719.560 328.7189 1737.028 329.2010 1748.448 329.6832 1753.208 330.1653 1757.790 330.6474 1763.012 331.1295 1767.465 331.6116 1769.981 332.0938 1769.379 332.5759 1768.684 333.0580 1768.160 333.5401 1767.803 334.0222 1767.685 334.5043 1768.046 334.9865 1768.298 335.4686 1767.712 335.9507 1764.989 336.4328 1765.278 336.9149 1770.341 337.3970 1777.885 337.8792 1781.726 338.3613 1781.437 338.8434 1778.898 339.3255 1775.276 339.8076 1770.898 340.2898 1762.975 340.7719 1751.599 341.2540 1736.512 341.7361 1716.975 342.2182 1693.345 342.7003 1665.461 343.1825 1634.197 343.6646 1598.853 344.1467 1555.925 344.6288 1504.282 345.1109 1448.874 345.5930 1393.105 346.0752 1337.561 346.5573 1281.040 347.0394 1221.930 347.5215 1162.380 348.0036 1105.291 348.4857 1050.924 348.9679 999.2773 349.4500 949.8483 349.9321 902.5860 350.4142 857.5681 350.8963 814.5042 351.3784 773.7956 351.8606 736.3414 352.3427 702.4197 352.8248 672.0726 353.3069 646.8093 353.7890 624.7700 354.2711 603.1415 354.7533 581.8251 355.2354 561.5140 355.7175 543.1210 356.1996 526.2344 356.6817 510.2035 357.1638 493.8022 357.6460 478.9357 358.1281 467.4361 358.6102 459.1578 359.0923 451.3202 359.5744 442.2184 360.0565 432.7920 360.5387 424.0240 361.0208 416.4034 361.5029 409.2717 361.9850 402.5152 362.4671 396.1343 362.9492 390.0999 363.4314 383.9227 363.9135 378.4540 364.3956 374.2235 364.8777 371.4851 365.3598 369.5127 365.8419 369.2143 366.3241 369.3613 366.8062 368.1110 367.2883 363.1633 367.7704 358.7628 368.2526 356.2401 368.7347 355.9766 369.2168 355.4970 369.6989 354.4601 370.1810 353.3625 370.6631 352.5530 371.1453 351.5960 371.6274 351.5779 372.1095 352.7061 372.5916 354.9081 373.0737 357.7181 373.5558 361.4511 374.0380 365.3457 374.5201 368.7703 375.0022 371.0169 375.4843 375.2034 375.9664 382.0899 376.4485 390.3815 376.9307 397.6654 377.4128 403.7009 377.8949 409.5338 378.3770 415.8658 378.8591 422.5740 379.3412 427.4815 379.8234 430.3965 380.3055 432.0600 380.7876 433.3181 381.2697 434.1401 381.7518 433.9079 382.2339 432.5791 382.7161 430.0333 383.1982 425.8210 383.6803 420.0035 384.1624 412.9462 384.6445 405.2885 385.1266 396.6513 385.6088 385.7262 386.0909 371.8941 386.5730 357.2095 387.0551 344.3787 387.5372 332.8983 388.0193 321.0474 388.5015 307.8257 388.9836 293.9691 389.4657 280.1786 389.9478 266.4885 390.4299 252.9031 390.9120 239.5417 391.3942 226.2065 391.8763 212.8596 392.3584 199.1594 392.8405 185.7342 393.3226 172.8701 393.8047 160.5453 394.2869 148.6571 394.7690 136.9760 395.2511 125.8493 395.7332 115.5284 396.2154 106.2602 396.6975 97.40683 397.1796 88.62048 397.6617 80.09912 398.1438 72.25101 398.6259 65.58926 399.1081 59.06482 399.5902 52.26276 400.0723 45.02469 400.5544 38.50626 401.0365 32.94604 401.5186 27.89557 402.0008 23.06808 402.4829 18.40714 402.9650 13.97510 403.4471 9.667297 403.9292 5.573181 404.4113 2.244385 404.8935 0.1595760 405.3756 2.230133 405.8577 4.274841 406.3398 6.289032 406.8219 8.097717 407.3040 9.690948 407.7862 11.09509 408.2683 12.27670 408.7504 13.21863 409.2325 14.45563 409.7146 16.61130 410.1967 19.07892 410.6789 19.71674 411.1610 18.46265 411.6431 16.95410 412.1252 16.77609 412.6073 17.47791 413.0894 17.73041 413.5716 17.12671 414.0537 16.26672 414.5358 15.90610 415.0179 15.90698 415.5000 15.83652 415.9821 15.93143 416.4643 15.57812 416.9464 13.89117 417.4285 10.73630 417.9106 7.433014 418.3927 4.633728 418.8748 2.235474 419.3570 0.1481630 419.8391 1.182526 420.3212 2.685120 420.8033 4.732697 421.2854 7.286438 421.7675 10.16339 422.2497 13.58105 422.7318 17.11130 423.2139 20.61276 423.6960 24.46806 424.1781 27.42252 424.6602 27.97331 425.1424 27.90886 425.6245 29.89474 426.1066 35.88246 426.5887 41.43256 427.0709 45.52319 427.5530 48.15399 428.0351 50.74394 428.5172 53.31488 428.9993 55.83357 429.4814 58.22964 429.9636 60.40414 430.4457 62.87419 430.9278 65.82072 431.4099 68.94489 431.8920 71.59483 432.3741 73.75754 432.8563 75.64383 433.3384 76.89789 433.8205 77.79709 434.3026 80.71851 434.7847 85.94713 435.2668 90.99402 435.7490 92.56335 436.2311 91.67459 436.7132 92.02151 437.1953 95.01703 437.6774 99.06387 438.1595 102.1926 438.6417 104.5419 439.1238 106.6864 439.6059 108.8049 440.0880 110.9826 440.5701 113.2244 441.0522 115.4906 441.5344 118.1786 442.0165 121.8938 442.4986 126.0595 442.9807 129.9550 443.4628 132.7633 443.9449 135.8234 444.4271 139.8307 444.9092 144.6235 445.3913 149.2865 445.8734 153.6811 446.3555 157.7516 446.8376 161.3579 447.3198 163.8292 447.8019 167.1269 448.2840 171.9262 448.7661 177.3047 449.2482 181.9571 449.7303 185.3578 450.2125 188.8063 450.6946 192.6801 451.1767 196.9584 451.6588 200.9350 452.1409 204.6634 452.6230 208.0528 453.1052 211.0374 453.5873 213.6339 454.0694 215.8094 454.5515 217.6484 455.0337 218.8627 455.5158 218.7550 455.9979 217.3907 456.4800 215.8523 456.9621 214.9838 457.4442 214.0885 457.9264 211.4947 458.4085 207.2844 458.8906 202.2909 459.3727 196.5984 459.8548 190.5623 460.3369 185.1135 460.8191 180.7630 461.3012 176.2869 461.7833 170.5758 462.2654 164.0273 462.7475 157.4684 463.2296 150.5787 463.7118 143.8372 464.1939 137.6797 464.6760 132.1409 465.1581 126.9840 465.6402 122.3120 466.1223 117.6783 466.6045 112.8665 467.0866 107.6566 467.5687 102.5623 468.0508 97.89491 468.5329 93.39970 469.0150 88.22113 469.4972 81.49266 469.9793 75.43073 470.4614 70.90204 470.9435 68.07265 471.4256 65.34892 471.9077 62.75481 472.3899 59.90207 472.8720 56.31952 473.3541 51.90701 473.8362 48.27139 474.3183 45.84203 474.8004 44.05714 475.2826 41.63213 475.7647 38.62442 476.2468 35.93413 476.7289 34.07494 477.2110 32.84068 477.6931 31.83417 478.1753 30.99521 478.6574 30.17897 479.1395 29.47311 479.6216 28.66998 480.1037 27.39946 480.5858 25.12956 481.0680 23.16646 481.5501 22.82271 482.0322 23.42455 482.5143 23.58072 482.9964 21.92349 483.4786 20.41133 483.9607 20.19122 484.4428 21.44934 484.9249 22.31679 485.4070 22.12042 485.8892 21.62973 486.3713 21.37614 486.8534 21.50287 487.3355 21.66920 487.8176 22.07910 488.2997 22.47450 488.7819 22.18584 489.2640 20.82520 489.7461 19.65108 490.2282 19.14751 490.7103 19.23967 491.1924 19.06960 491.6746 18.62312 492.1567 17.99347 492.6388 16.98145 493.1209 15.68340 493.6030 15.39539 494.0851 16.56084 494.5673 17.98192 495.0494 17.82143 495.5315 16.39935 496.0136 14.90778 496.4957 13.80032 496.9778 12.96968 497.4600 12.40752 497.9421 12.06822 498.4242 11.47791 498.9063 9.594009 499.3884 7.757141 499.8705 7.340546 500.3527 9.472061 500.8348 10.88834 501.3169 9.844666 501.7990 7.559174 502.2811 5.727020 502.7632 5.130707 503.2454 4.524124 503.7275 3.421356 504.2096 1.932541 504.6917 1.197937 505.1738 1.721085 505.6559 2.301590 506.1381 2.237595 506.6202 1.254486 507.1023 0.8965530 507.5844 1.364914 508.0665 2.071877 508.5486 2.236656 509.0308 1.849045 509.5129 1.342751 509.9950 0.7696610 510.4771 0.1994930 510.9592 0.2498930 511.4413 0.5800090 511.9235 0.8118820 512.4056 0.8996660 512.8877 0.9226070 513.3698 1.036514 513.8519 1.259872 514.3340 1.409599 514.8162 1.105759 515.2983 0.7524260 515.7804 0.8665470 516.2625 2.315033 516.7446 3.332718 517.2267 2.817055 517.7089 1.328842 518.1910 0.2401660 518.6731 0.1614690 519.1552 0.1203230 519.6373 0.5926970 520.1194 2.141243 520.6016 2.604820 521.0837 0.9575500 521.5658 0.6539690 522.0479 0.3984150 522.5300 2.586891 523.0121 4.174622 523.4943 3.752060 523.9764 2.271698 524.4585 1.343208 524.9406 0.9848630 525.4227 0.8120800 525.9048 0.7523350 526.3870 0.7425540 526.8691 0.4447400 527.3513 8.9249000E-02 527.8334 0.1471790 528.3155 1.517311 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