#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:34:45 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1161 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000580.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_1000580 loop_ _publ_author_name 'del Tanago, J.G.' 'La Iglesia, A.' 'Rius, J.' 'Fernandez Santin, S.' _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 R050547 _chemical_formula_sum 'Al0.004 As0.016 Ba0.018 Ca0.007 Cu0.034 Fe0.965 H1.494 O9 P0.003 Pb1.924 Si0.085 V1.836 Zn0.009' _chemical_name_systematic ; (Pb1.924 Ba0.018 Ca0.007) (Fe0.965 Cu0.034 Zn0.009 Al0.004) ((V1.836 Si0.085 As0.016 P0.003) O7.506 (O H)1.494) ; _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_formula_units_Z 2 _cell_length_a 7.649 _cell_length_b 6.101 _cell_length_c 8.904 _cell_volume 384.635 _citation_journal_id_ASTM AMMIAY _cod_data_source_file delTanago_AMMIAY_2003_1201.cif _cod_data_source_block H1.494Al0.004As0.016Ba0.018Ca0.007Cu0.034Fe0.965O9P0.003Pb1.924Si0.085V1.836Zn0.009 _cod_original_cell_volume 384.6345 _cod_original_formula_sum ; H1.494 Al0.004 As0.016 Ba0.018 Ca0.007 Cu0.034 Fe0.965 O9 P0.003 Pb1.924 Si0.085 V1.836 Zn0.009 ; _cod_database_code 1532700 _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 R050547.rod _rod_data_source.block 3500000 _rod_database.code 1000580 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 1532700 COD http://www.crystallography.net/cod/1532700.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 118.8934 0.0000000E+00 119.3755 9.100586 119.8576 0.4794920 120.3397 0.5864260 120.8218 1.208008 121.3039 0.8227540 121.7861 3.401367 122.2682 3.050293 122.7503 1.437500 123.2324 4.300781 123.7145 15.25098 124.1966 29.98193 124.6788 46.34424 125.1609 63.11670 125.6430 80.46533 126.1251 100.7964 126.6072 125.3188 127.0893 150.8237 127.5715 174.8682 128.0536 198.1812 128.5357 224.4111 129.0178 257.2710 129.4999 295.8623 129.9821 332.8477 130.4642 364.7197 130.9463 396.7764 131.4284 436.5796 131.9105 486.3433 132.3926 534.5864 132.8748 570.6006 133.3569 599.1509 133.8390 627.2300 134.3211 654.9561 134.8032 684.0923 135.2853 722.3140 135.7674 777.5972 136.2496 831.2949 136.7317 872.9399 137.2138 905.4194 137.6959 936.1821 138.1780 971.4751 138.6601 1011.910 139.1423 1050.458 139.6244 1085.451 140.1065 1119.910 140.5886 1155.179 141.0707 1191.133 141.5528 1226.996 142.0350 1261.684 142.5171 1294.467 142.9992 1328.026 143.4813 1362.259 143.9634 1396.973 144.4455 1432.474 144.9277 1468.606 145.4098 1505.084 145.8919 1541.675 146.3740 1580.065 146.8561 1615.442 147.3382 1645.350 147.8204 1672.948 148.3025 1702.798 148.7846 1737.139 149.2667 1772.341 149.7488 1801.236 150.2309 1824.674 150.7131 1844.361 151.1952 1859.762 151.6773 1871.168 152.1594 1881.500 152.6415 1892.899 153.1236 1901.394 153.6058 1902.886 154.0879 1895.413 154.5700 1884.448 155.0521 1875.674 155.5342 1869.425 156.0163 1859.900 156.4985 1843.963 156.9806 1824.059 157.4627 1801.237 157.9448 1775.333 158.4269 1748.184 158.9090 1722.958 159.3912 1701.870 159.8733 1677.004 160.3554 1644.698 160.8375 1609.137 161.3196 1573.028 161.8017 1537.554 162.2839 1503.136 162.7660 1471.775 163.2481 1448.214 163.7302 1421.114 164.2123 1387.763 164.6944 1350.456 165.1766 1312.536 165.6587 1275.733 166.1408 1239.569 166.6229 1199.331 167.1050 1151.988 167.5871 1103.908 168.0693 1056.369 168.5514 1008.916 169.0335 960.1309 169.5156 909.1860 169.9977 855.8188 170.4798 803.1455 170.9620 750.8696 171.4441 699.8848 171.9262 651.9736 172.4083 607.6519 172.8904 563.5093 173.3725 516.5557 173.8547 469.2529 174.3368 428.7368 174.8189 396.7017 175.3010 369.2017 175.7831 342.7754 176.2652 317.1450 176.7474 286.0894 177.2295 257.3438 177.7116 230.5688 178.1937 205.9180 178.6758 180.9629 179.1579 158.1582 179.6401 142.0146 180.1222 134.3960 180.6043 128.4561 181.0864 120.3291 181.5685 110.9922 182.0506 102.1460 182.5328 93.46191 183.0149 85.70264 183.4970 81.60449 183.9791 82.77734 184.4612 85.35254 184.9433 87.13965 185.4255 88.90234 185.9076 92.05469 186.3897 97.87012 186.8718 105.8042 187.3539 111.8594 187.8360 111.6846 188.3182 115.0269 188.8003 126.4814 189.2824 143.5303 189.7645 161.0952 190.2466 175.2705 190.7287 186.0396 191.2109 198.2822 191.6930 211.9194 192.1751 227.0527 192.6572 245.0322 193.1393 264.8765 193.6214 284.2104 194.1036 300.6318 194.5857 313.5757 195.0678 328.5132 195.5499 345.3853 196.0320 363.7324 196.5141 384.7676 196.9963 407.5884 197.4784 429.1367 197.9605 446.1587 198.4426 457.7720 198.9247 471.3921 199.4068 488.9517 199.8890 506.8208 200.3711 522.2178 200.8532 535.0806 201.3353 547.7656 201.8174 562.6777 202.2995 579.9839 202.7817 596.2202 203.2638 612.5991 203.7459 627.1001 204.2280 637.4829 204.7101 643.4448 205.1922 647.1074 205.6744 648.8955 206.1565 649.5112 206.6386 652.6118 207.1207 663.2407 207.6028 675.1440 208.0849 678.9600 208.5671 672.6309 209.0492 663.5371 209.5313 657.8271 210.0134 653.8887 210.4955 648.0747 210.9776 638.3330 211.4598 625.8716 211.9419 613.5020 212.4240 602.0996 212.9061 589.0498 213.3882 572.3794 213.8703 553.1865 214.3525 533.2891 214.8346 513.8379 215.3167 494.3896 215.7988 473.5366 216.2809 449.7935 216.7630 426.8213 217.2451 407.9282 217.7273 390.6328 218.2094 370.1992 218.6915 342.4141 219.1736 309.0742 219.6557 281.6836 220.1378 266.0088 220.6200 249.7012 221.1021 227.8281 221.5842 202.9746 222.0663 179.4248 222.5484 160.3384 223.0305 145.1890 223.5127 128.8174 223.9948 110.0664 224.4769 91.40869 224.9590 71.70654 225.4411 52.54053 225.9232 36.79834 226.4054 26.65918 226.8875 21.55957 227.3696 13.83057 227.8517 0.3686520 228.3338 12.45898 228.8159 23.02734 229.2981 32.00488 229.7802 40.79102 230.2623 50.48730 230.7444 60.83643 231.2265 68.46289 231.7086 71.78320 232.1908 74.42822 232.6729 77.74023 233.1550 81.05176 233.6371 82.65771 234.1192 81.24316 234.6013 77.45410 235.0835 76.41211 235.5656 82.15234 236.0477 85.77002 236.5298 83.58447 237.0119 77.26514 237.4940 70.22168 237.9762 64.04443 238.4583 59.03271 238.9404 56.58594 239.4225 58.87305 239.9046 60.91211 240.3867 61.20117 240.8689 60.02783 241.3510 57.78174 241.8331 54.25586 242.3152 49.99561 242.7973 46.84033 243.2794 45.82568 243.7616 44.07959 244.2437 39.10107 244.7258 32.12158 245.2079 27.29053 245.6900 27.14062 246.1721 29.27246 246.6543 28.66797 247.1364 24.53076 247.6185 20.04492 248.1006 17.14502 248.5827 15.35889 249.0648 12.69678 249.5470 7.823242 250.0291 2.618652 250.5112 8.0565996E-02 250.9933 0.6044920 251.4754 1.068848 251.9576 0.3872070 252.4397 1.600098 252.9218 5.989258 253.4039 14.33691 253.8860 23.59717 254.3681 30.23193 254.8503 34.26221 255.3324 38.05664 255.8145 42.84668 256.2966 48.55127 256.7787 54.88477 257.2608 62.21777 257.7430 69.64746 258.2251 76.52100 258.7072 82.86670 259.1893 88.83154 259.6714 93.48291 260.1535 97.43506 260.6357 104.4185 261.1178 116.3569 261.5999 129.4600 262.0820 142.5713 262.5641 155.0674 263.0462 165.0786 263.5284 169.4678 264.0105 169.5552 264.4926 173.5522 264.9747 183.2485 265.4568 194.5728 265.9389 206.1128 266.4211 217.5586 266.9032 228.0532 267.3853 235.8569 267.8674 242.3428 268.3495 254.2036 268.8316 275.3726 269.3138 296.1704 269.7959 312.3428 270.2780 325.9941 270.7601 339.9663 271.2422 355.2637 271.7243 372.4355 272.2065 393.0874 272.6886 417.3496 273.1707 445.2363 273.6528 477.8301 274.1349 513.0220 274.6170 548.0166 275.0992 581.6914 275.5813 614.8208 276.0634 648.5820 276.5455 681.2275 277.0276 718.4468 277.5097 762.2480 277.9919 809.6504 278.4740 858.1870 278.9561 907.1772 279.4382 956.5444 279.9203 1006.677 280.4024 1057.286 280.8846 1108.765 281.3667 1158.594 281.8488 1210.546 282.3309 1268.611 282.8130 1333.144 283.2951 1399.281 283.7773 1459.292 284.2594 1509.082 284.7415 1563.647 285.2236 1625.445 285.7057 1689.124 286.1878 1752.046 286.6700 1813.729 287.1521 1875.581 287.6342 1940.024 288.1163 2008.040 288.5984 2072.564 289.0805 2131.057 289.5627 2188.868 290.0448 2249.320 290.5269 2311.625 291.0090 2372.077 291.4911 2427.428 291.9732 2477.447 292.4554 2526.392 292.9375 2572.899 293.4196 2619.101 293.9017 2666.579 294.3838 2714.958 294.8659 2762.784 295.3481 2808.729 295.8302 2853.102 296.3123 2897.762 296.7944 2940.490 297.2765 2985.526 297.7586 3034.025 298.2408 3085.441 298.7229 3137.969 299.2050 3190.271 299.6871 3243.754 300.1692 3303.323 300.6513 3372.252 301.1335 3443.441 301.6156 3512.727 302.0977 3585.084 302.5798 3666.953 303.0619 3760.348 303.5440 3861.214 304.0262 3962.854 304.5083 4060.413 304.9904 4166.625 305.4725 4282.156 305.9546 4404.724 306.4367 4533.520 306.9189 4667.902 307.4010 4807.708 307.8831 4952.493 308.3652 5101.476 308.8473 5257.917 309.3294 5425.868 309.8116 5597.482 310.2937 5767.233 310.7758 5935.288 311.2579 6104.682 311.7400 6276.725 312.2221 6452.333 312.7043 6634.232 313.1864 6824.998 313.6685 7019.201 314.1506 7217.451 314.6327 7418.160 315.1148 7618.825 315.5970 7816.910 316.0791 8012.640 316.5612 8208.339 317.0433 8405.386 317.5254 8602.395 318.0075 8800.137 318.4897 8996.967 318.9718 9191.699 319.4539 9383.916 319.9360 9571.288 320.4181 9748.346 320.9002 9911.592 321.3824 10064.97 321.8645 10208.03 322.3466 10341.49 322.8287 10468.14 323.3108 10587.59 323.7929 10697.19 324.2751 10791.49 324.7572 10870.35 325.2393 10931.67 325.7214 10974.18 326.2035 11003.35 326.6856 11023.92 327.1678 11035.93 327.6499 11035.63 328.1320 11018.61 328.6141 10983.42 329.0962 10936.88 329.5783 10879.91 330.0605 10812.56 330.5426 10735.16 331.0247 10647.15 331.5068 10547.70 331.9889 10435.50 332.4710 10311.07 332.9532 10183.00 333.4353 10050.68 333.9174 9913.732 334.3995 9774.371 334.8816 9630.141 335.3637 9476.713 335.8459 9312.848 336.3280 9140.475 336.8101 8970.530 337.2922 8811.541 337.7743 8640.451 338.2564 8452.787 338.7386 8254.313 339.2206 8050.091 339.7028 7840.922 340.1849 7627.839 340.6670 7411.188 341.1491 7189.756 341.6312 6969.164 342.1133 6751.432 342.5955 6533.973 343.0776 6313.767 343.5597 6091.872 344.0418 5872.415 344.5239 5658.646 345.0060 5450.527 345.4882 5250.859 345.9703 5064.301 346.4524 4882.396 346.9345 4700.519 347.4166 4521.797 347.8987 4351.675 348.3809 4194.433 348.8630 4048.352 349.3451 3909.953 349.8272 3778.410 350.3093 3654.411 350.7914 3537.319 351.2736 3427.061 351.7557 3324.566 352.2378 3229.677 352.7199 3141.643 353.2020 3059.512 353.6841 2982.411 354.1663 2913.592 354.6484 2856.687 355.1305 2805.380 355.6126 2756.515 356.0947 2709.769 356.5768 2666.917 357.0590 2631.025 357.5411 2602.798 358.0232 2573.078 358.5053 2539.323 358.9874 2507.243 359.4695 2478.330 359.9517 2452.626 360.4338 2430.749 360.9159 2414.181 361.3980 2401.337 361.8801 2386.653 362.3622 2369.610 362.8444 2351.273 363.3265 2332.440 363.8086 2312.271 364.2907 2290.215 364.7728 2266.175 365.2549 2239.714 365.7371 2208.693 366.2192 2172.077 366.7013 2138.942 367.1834 2114.238 367.6655 2091.531 368.1476 2065.906 368.6298 2037.095 369.1119 2008.422 369.5940 1983.400 370.0761 1960.970 370.5582 1936.293 371.0403 1908.750 371.5225 1879.251 372.0046 1847.809 372.4867 1815.142 372.9688 1782.227 373.4509 1749.443 373.9330 1716.835 374.4152 1684.671 374.8973 1653.196 375.3794 1621.302 375.8615 1588.324 376.3436 1554.857 376.8257 1521.956 377.3079 1490.251 377.7900 1457.481 378.2721 1421.657 378.7542 1383.220 379.2363 1343.953 379.7184 1303.530 380.2006 1263.353 380.6827 1225.643 381.1648 1190.578 381.6469 1154.122 382.1290 1114.763 382.6111 1073.102 383.0933 1029.031 383.5754 982.1277 384.0575 937.0200 384.5396 897.9180 385.0217 864.1228 385.5038 826.9937 385.9860 783.8071 386.4681 739.7537 386.9502 696.7922 387.4323 655.5237 387.9144 617.1660 388.3965 582.8921 388.8787 551.3950 389.3608 519.6160 389.8429 487.8364 390.3250 454.8613 390.8071 416.9841 391.2892 379.2458 391.7714 348.9255 392.2535 327.4971 392.7356 308.6736 393.2177 285.2000 393.6998 255.5786 394.1819 228.2791 394.6641 204.3799 395.1462 181.4160 395.6283 157.7166 396.1104 133.8303 396.5925 112.0112 397.0746 93.53784 397.5568 78.31055 398.0389 64.79126 398.5210 55.17847 399.0031 44.88354 399.4852 32.20142 399.9673 19.09717 400.4495 7.674316 400.9316 1.381348 401.4137 9.206299 401.8958 17.53369 402.3779 26.73633 402.8600 35.39453 403.3422 44.67261 403.8243 52.60840 404.3064 57.85913 404.7885 60.82666 405.2706 62.90869 405.7527 65.04517 406.2349 67.24072 406.7170 68.85156 407.1991 68.85547 407.6812 69.70483 408.1633 72.66943 408.6454 76.38892 409.1276 79.63745 409.6097 81.96045 410.0918 83.01733 410.5739 81.98975 411.0560 78.37891 411.5381 75.11304 412.0203 73.42554 412.5024 71.46265 412.9845 67.63086 413.4666 62.25537 413.9487 57.28760 414.4308 54.18335 414.9130 52.59863 415.3951 51.51172 415.8772 51.57251 416.3593 50.49146 416.8414 45.38989 417.3235 38.82495 417.8057 34.60645 418.2878 34.82520 418.7699 35.33594 419.2520 32.08838 419.7341 25.33228 420.2162 17.33276 420.6984 7.766846 421.1805 1.462402 421.6626 7.739014 422.1447 11.08008 422.6268 14.01929 423.1089 17.36670 423.5911 20.94971 424.0732 24.14160 424.5553 26.85571 425.0374 30.62964 425.5195 37.39453 426.0016 46.47803 426.4838 52.94482 426.9659 54.30518 427.4480 55.67188 427.9301 59.52344 428.4122 65.15112 428.8943 70.87573 429.3765 75.98633 429.8586 81.38062 430.3407 88.77539 430.8228 99.72827 431.3049 109.4099 431.7870 117.6985 432.2692 124.7832 432.7513 129.4578 433.2334 132.6201 433.7155 137.7241 434.1976 147.9055 434.6797 162.6982 435.1619 175.3247 435.6440 183.5059 436.1261 192.0283 436.6082 202.6013 437.0903 213.5452 437.5724 222.2957 438.0546 228.0483 438.5367 233.1240 439.0188 241.5996 439.5009 255.0139 439.9830 266.8157 440.4651 274.9839 440.9473 283.2795 441.4294 293.6704 441.9115 305.6306 442.3936 317.4128 442.8757 327.7393 443.3578 337.2173 443.8400 348.1738 444.3221 362.2085 444.8042 373.4429 445.2863 377.0076 445.7684 378.3933 446.2505 383.0132 446.7327 392.1292 447.2148 401.2864 447.6969 406.0781 448.1790 407.4058 448.6611 410.0488 449.1432 415.3911 449.6254 420.7078 450.1075 423.6511 450.5896 424.7439 451.0717 425.1851 451.5538 425.2476 452.0359 424.9211 452.5181 424.3516 453.0002 423.0984 453.4823 420.1716 453.9644 414.9646 454.4465 408.0847 454.9286 400.3833 455.4108 391.0022 455.8929 382.7073 456.3750 378.0591 456.8571 373.8811 457.3392 365.7421 457.8214 353.4233 458.3035 341.1169 458.7856 332.4872 459.2677 327.5350 459.7498 322.1151 460.2319 317.6935 460.7141 310.7046 461.1962 297.5664 461.6783 282.1616 462.1604 270.2554 462.6425 263.8934 463.1246 260.0704 463.6068 253.7560 464.0889 244.0344 464.5710 234.4156 465.0531 225.1106 465.5352 216.0085 466.0173 206.8490 466.4995 197.5686 466.9816 188.1532 467.4637 178.5215 467.9458 169.1093 468.4279 160.9221 468.9100 154.2906 469.3922 148.1252 469.8743 143.6332 470.3564 138.4089 470.8385 129.3683 471.3206 116.2644 471.8027 104.6338 472.2849 99.59863 472.7670 99.47473 473.2491 98.65906 473.7312 96.90015 474.2133 93.55530 474.6954 86.70801 475.1776 78.23572 475.6597 72.41943 476.1418 71.31641 476.6239 70.78174 477.1060 68.17932 477.5881 64.29871 478.0703 60.56458 478.5524 57.39014 479.0345 55.35107 479.5166 55.60596 479.9987 58.86438 480.4808 59.91846 480.9630 56.26489 481.4451 52.21008 481.9272 51.45337 482.4093 53.03394 482.8914 53.07153 483.3735 49.04150 483.8557 42.59668 484.3378 39.38782 484.8199 42.62073 485.3020 44.34705 485.7841 43.10425 486.2662 41.19861 486.7484 40.40149 487.2305 40.83972 487.7126 41.54041 488.1947 41.51160 488.6768 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