#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:39:17 +0300 (Thu, 24 May 2018) $ #$Revision: 769 $ #$URL: svn://172.16.1.111/rod/cif/2/00/00/2000004.rod $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2000004 loop_ _publ_author_name 'Yang, Hexiong' 'Sano, Jennifer L.' 'Eichler, Carla' 'Downs, Robert T.' 'Costin, Gelu' _publ_section_title ; Iranite, CuPb~10~(CrO~4~)~6~(SiO~4~)~2~(OH)~2~, isomorphous with hemihedrite ; _journal_coeditor_code IZ3032 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 122 _journal_page_last 124 _journal_paper_doi 10.1107/S0108270107053449 _journal_volume 63 _journal_year 2007 _chemical_compound_source R060781 _chemical_formula_iupac 'Cu Pb10 (Cr O4)6 (Si O4)2 (O H)2' _chemical_formula_moiety 'Cr6 Cu H2 O34 Pb10 Si2' _chemical_formula_sum 'Cr6 Cu H2 O34 Pb10 Si2' _chemical_formula_weight 3049.64 _chemical_name_common Iranite _chemical_name_systematic ; copper decalead hexachromate bis(orthosilicate) dihydroxide ; _cell_angle_alpha 120.472(2) _cell_angle_beta 92.470(2) _cell_angle_gamma 55.531(2) _cell_formula_units_Z 1 _cell_length_a 9.5416(4) _cell_length_b 11.3992(5) _cell_length_c 10.7465(4) _cod_data_source_file iz3032.cif _cod_data_source_block I _cod_original_cell_volume 780.08(6) _cod_original_formula_sum 'H2 Cr6 Cu O34 Pb10 Si2' _cod_database_code 2016341 _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 R060781.rod _rod_data_source.block 3500000 _rod_database.code 2000004 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 2016341 COD http://www.crystallography.net/cod/2016341.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 116.6693 0.0000000E+00 117.1515 41.83203 117.6336 48.11890 118.1157 8.852295 118.5978 30.08447 119.0799 10.86353 119.5620 40.13818 120.0442 124.6853 120.5263 257.8218 121.0084 422.4272 121.4905 592.0967 121.9726 746.4541 122.4547 899.7637 122.9369 1070.954 123.4190 1260.246 123.9011 1459.778 124.3832 1667.516 124.8653 1881.091 125.3474 2083.907 125.8296 2252.344 126.3117 2403.791 126.7938 2581.889 127.2759 2804.237 127.7580 3048.555 128.2401 3270.715 128.7223 3471.639 129.2044 3665.219 129.6865 3854.857 130.1686 4043.094 130.6507 4243.693 131.1328 4477.677 131.6149 4732.634 132.0971 4921.605 132.5792 5035.026 133.0613 5123.361 133.5434 5260.503 134.0255 5450.143 134.5076 5634.214 134.9898 5784.120 135.4719 5897.316 135.9540 6017.029 136.4361 6147.465 136.9182 6282.035 137.4003 6402.679 137.8825 6512.479 138.3646 6603.543 138.8467 6664.394 139.3288 6677.916 139.8109 6720.066 140.2930 6812.851 140.7752 6945.323 141.2573 7033.057 141.7394 7054.120 142.2215 7054.884 142.7036 7071.573 143.1857 7099.455 143.6679 7143.015 144.1500 7129.415 144.6321 7123.150 145.1142 7103.849 145.5963 7064.089 146.0784 7015.060 146.5606 6972.804 147.0427 6957.998 147.5248 6928.662 148.0069 6874.884 148.4890 6795.066 148.9711 6697.275 149.4533 6561.528 149.9354 6408.625 150.4175 6285.329 150.8996 6198.651 151.3817 6136.264 151.8638 6094.278 152.3460 6105.042 152.8281 6096.687 153.3102 6064.113 153.7923 6007.993 154.2744 5930.341 154.7565 5819.686 155.2386 5695.002 155.7208 5567.649 156.2029 5400.490 156.6850 5269.409 157.1671 5214.272 157.6492 5235.955 158.1313 5234.302 158.6135 5161.585 159.0956 5055.735 159.5777 4957.685 160.0598 4872.861 160.5419 4804.017 161.0240 4757.856 161.5062 4739.958 161.9883 4715.329 162.4704 4666.233 162.9525 4599.859 163.4346 4528.738 163.9167 4451.538 164.3989 4375.233 164.8810 4307.591 165.3631 4254.546 165.8452 4198.347 166.3273 4129.598 166.8094 4048.831 167.2916 3959.276 167.7737 3844.250 168.2558 3727.354 168.7379 3637.374 169.2200 3597.527 169.7021 3565.814 170.1843 3503.740 170.6664 3415.396 171.1485 3326.739 171.6306 3258.966 172.1127 3202.136 172.5948 3140.728 173.0770 3058.266 173.5591 2974.434 174.0412 2918.782 174.5233 2875.065 175.0054 2829.304 175.4875 2748.251 175.9697 2642.343 176.4518 2540.253 176.9339 2448.322 177.4160 2369.066 177.8981 2316.701 178.3802 2296.277 178.8624 2276.218 179.3445 2208.445 179.8266 2104.581 180.3087 2016.155 180.7908 1991.065 181.2729 2001.859 181.7551 1969.923 182.2372 1878.095 182.7193 1763.655 183.2014 1682.151 183.6835 1631.304 184.1656 1591.432 184.6478 1558.199 185.1299 1526.530 185.6120 1474.003 186.0941 1388.987 186.5762 1293.352 187.0583 1231.713 187.5405 1207.066 188.0226 1191.248 188.5047 1158.159 188.9868 1110.186 189.4689 1063.807 189.9510 1022.873 190.4332 988.3906 190.9153 966.2954 191.3974 958.0186 191.8795 949.4565 192.3616 923.5581 192.8437 880.5874 193.3259 835.4194 193.8080 793.2192 194.2901 753.5376 194.7722 709.5117 195.2543 656.9116 195.7364 611.6348 196.2186 599.8276 196.7007 624.1714 197.1828 650.7456 197.6649 670.0601 198.1470 682.4902 198.6291 674.9004 199.1112 642.8857 199.5934 598.6538 200.0755 559.9287 200.5576 525.3179 201.0397 504.0776 201.5218 508.0684 202.0039 539.4727 202.4861 549.3521 202.9682 529.0996 203.4503 493.0420 203.9324 475.6191 204.4145 480.6177 204.8966 487.4453 205.3788 481.9585 205.8609 463.3198 206.3430 447.6436 206.8251 437.4648 207.3072 431.2456 207.7893 423.3589 208.2715 411.2266 208.7536 402.1240 209.2357 403.6597 209.7178 420.8208 210.1999 428.9199 210.6820 422.2344 211.1642 367.1333 211.6463 411.7729 212.1284 437.7661 212.6105 443.6992 213.0926 368.9619 213.5747 392.5859 214.0569 377.5332 214.5390 362.9160 215.0211 403.5581 215.5032 338.6128 215.9853 372.3384 216.4674 365.3896 216.9496 377.2593 217.4317 349.1733 217.9138 333.7524 218.3959 358.7920 218.8780 361.8071 219.3601 330.0688 219.8423 344.5820 220.3244 277.1250 220.8065 282.0435 221.2886 318.3228 221.7707 289.7891 222.2528 306.2144 222.7349 305.8384 223.2171 228.2803 223.6992 285.5815 224.1813 284.8916 224.6634 224.6494 225.1455 278.0273 225.6276 226.4883 226.1098 212.7104 226.5919 227.4082 227.0740 212.8916 227.5561 245.0303 228.0382 232.6763 228.5203 193.6147 229.0025 211.3462 229.4846 231.9888 229.9667 239.0703 230.4488 225.7925 230.9309 215.1636 231.4130 210.3862 231.8952 207.7148 232.3773 194.0757 232.8594 157.4917 233.3415 126.0728 233.8236 116.3091 234.3057 144.2451 234.7879 158.9780 235.2700 156.8257 235.7521 139.8789 236.2342 114.5850 236.7163 67.81592 237.1984 29.62061 237.6806 21.13916 238.1627 63.72217 238.6448 90.76025 239.1269 92.22217 239.6090 72.10498 240.0911 56.55225 240.5733 48.54199 241.0554 41.52637 241.5375 27.92188 242.0196 8.285156 242.5017 16.20557 242.9838 26.83838 243.4660 113.0757 243.9481 148.3408 244.4302 104.4038 244.9123 41.69189 245.3944 9.503906 245.8765 30.20459 246.3586 36.96875 246.8408 17.21582 247.3229 27.92529 247.8050 72.65088 248.2871 127.3037 248.7692 170.1870 249.2513 177.4385 249.7335 125.4077 250.2156 87.03320 250.6977 78.27490 251.1798 99.54150 251.6619 114.8735 252.1440 120.9897 252.6262 124.8110 253.1083 134.1982 253.5904 154.6040 254.0725 168.8271 254.5546 171.6143 255.0367 162.2485 255.5189 155.6309 256.0010 150.4150 256.4831 149.2109 256.9652 155.5137 257.4473 171.3574 257.9294 190.8076 258.4116 217.9805 258.8937 255.2925 259.3758 259.7295 259.8579 212.9829 260.3400 154.7671 260.8221 138.2100 261.3043 183.6719 261.7864 217.9277 262.2685 214.8579 262.7506 169.9966 263.2327 148.2700 263.7148 157.0659 264.1970 179.1191 264.6791 192.6890 265.1612 196.9565 265.6433 194.7383 266.1254 185.7471 266.6075 169.8730 267.0897 150.8701 267.5718 124.0127 268.0539 100.8315 268.5360 105.2529 269.0181 148.9033 269.5002 177.5239 269.9824 163.3628 270.4645 102.8252 270.9466 76.67090 271.4287 98.34180 271.9108 133.2314 272.3929 125.8193 272.8751 67.83740 273.3572 8.984375 273.8393 32.37012 274.3214 55.88672 274.8035 75.50195 275.2856 90.97510 275.7678 103.4648 276.2499 112.2529 276.7320 116.2427 277.2141 124.8462 277.6962 143.5435 278.1783 172.4443 278.6604 199.9341 279.1425 226.9434 279.6247 251.2666 280.1068 263.1367 280.5889 260.8101 281.0710 273.9795 281.5531 325.9248 282.0352 412.6099 282.5174 474.9980 282.9995 507.7026 283.4816 529.0713 283.9637 568.3687 284.4458 625.3999 284.9279 673.6309 285.4101 694.3008 285.8922 692.8262 286.3743 703.7939 286.8564 728.0713 287.3385 762.4443 287.8206 803.1870 288.3028 850.2773 288.7849 901.3330 289.2670 961.3521 289.7491 1025.499 290.2312 1072.466 290.7133 1098.449 291.1955 1119.336 291.6776 1148.842 292.1597 1188.584 292.6418 1246.450 293.1239 1350.868 293.6060 1475.868 294.0882 1544.190 294.5703 1546.813 295.0524 1533.549 295.5345 1561.313 296.0166 1624.327 296.4987 1694.810 296.9809 1771.876 297.4630 1844.866 297.9451 1887.261 298.4272 1895.125 298.9093 1897.121 299.3914 1930.090 299.8736 1979.567 300.3557 2011.059 300.8378 1984.824 301.3199 1945.037 301.8020 1957.035 302.2841 2028.049 302.7663 2099.517 303.2484 2114.391 303.7305 2096.651 304.2126 2087.312 304.6947 2094.871 305.1768 2121.473 305.6590 2186.444 306.1411 2294.479 306.6232 2378.810 307.1053 2368.556 307.5874 2313.922 308.0695 2285.998 308.5517 2301.386 309.0338 2358.680 309.5159 2481.227 309.9980 2672.799 310.4801 2842.220 310.9622 2906.069 311.4444 2924.642 311.9265 2974.847 312.4086 3095.213 312.8907 3248.062 313.3728 3417.037 313.8549 3601.438 314.3371 3794.275 314.8192 3974.940 315.3013 4166.592 315.7834 4389.611 316.2655 4669.763 316.7477 4963.028 317.2298 5255.287 317.7119 5549.158 318.1940 5858.037 318.6761 6163.800 319.1582 6486.483 319.6404 6845.473 320.1225 7294.830 320.6046 7736.803 321.0867 8131.957 321.5688 8481.665 322.0509 8862.149 322.5330 9291.070 323.0151 9752.704 323.4973 10240.29 323.9794 10794.85 324.4615 11330.67 324.9436 11826.46 325.4257 12286.07 325.9078 12764.52 326.3900 13236.94 326.8721 13736.19 327.3542 14287.60 327.8363 14925.62 328.3184 15578.40 328.8005 16270.65 329.2827 16976.35 329.7648 17590.80 330.2469 18063.99 330.7290 18512.33 331.2111 18991.60 331.6932 19533.41 332.1754 20045.25 332.6575 20532.42 333.1396 20983.98 333.6217 21373.00 334.1038 21683.90 334.5859 21962.77 335.0681 22238.25 335.5502 22525.01 336.0323 22756.08 336.5144 22916.07 336.9965 23028.40 337.4786 23156.90 337.9608 23307.48 338.4429 23445.37 338.9250 23541.60 339.4071 23589.94 339.8892 23673.84 340.3713 23804.54 340.8535 23956.70 341.3356 24084.05 341.8177 24187.10 342.2998 24279.60 342.7819 24380.38 343.2640 24482.86 343.7462 24538.90 344.2283 24548.30 344.7104 24513.01 345.1925 24433.39 345.6746 24310.23 346.1567 24152.59 346.6389 23965.99 347.1210 23747.61 347.6031 23472.26 348.0852 23136.95 348.5673 22784.05 349.0494 22441.79 349.5316 22118.86 350.0137 21833.51 350.4958 21601.84 350.9779 21411.36 351.4600 21255.21 351.9421 21133.13 352.4243 21005.01 352.9064 20833.74 353.3885 20637.68 353.8706 20446.47 354.3527 20302.92 354.8348 20142.43 355.3170 19903.96 355.7991 19593.87 356.2812 19262.45 356.7633 18954.88 357.2454 18633.63 357.7275 18260.64 358.2097 17800.71 358.6918 17313.43 359.1739 16803.25 359.6560 16282.20 360.1381 15810.45 360.6202 15402.64 361.1024 15056.59 361.5845 14775.11 362.0666 14600.44 362.5487 14427.15 363.0308 14219.31 363.5129 13994.10 363.9951 13800.84 364.4772 13667.04 364.9593 13554.20 365.4414 13442.33 365.9235 13295.33 366.4056 13214.19 366.8878 13249.94 367.3698 13346.67 367.8520 13406.92 368.3341 13408.40 368.8162 13399.52 369.2983 13399.76 369.7804 13423.09 370.2625 13402.04 370.7447 13337.63 371.2268 13227.95 371.7089 13061.14 372.1910 12814.30 372.6731 12562.20 373.1552 12328.30 373.6374 12110.21 374.1195 11871.51 374.6016 11594.20 375.0837 11324.53 375.5658 11111.61 376.0479 10958.12 376.5301 10837.49 377.0122 10746.91 377.4943 10681.28 377.9764 10622.48 378.4585 10568.94 378.9406 10539.59 379.4228 10570.19 379.9049 10645.69 380.3870 10676.61 380.8691 10634.04 381.3512 10556.94 381.8333 10500.83 382.3155 10383.81 382.7976 10257.33 383.2797 10122.86 383.7618 9962.055 384.2439 9841.611 384.7260 9707.056 385.2082 9569.921 385.6903 9452.065 386.1724 9295.041 386.6545 9176.254 387.1366 9042.202 387.6187 8915.042 388.1009 8772.611 388.5830 8634.618 389.0651 8511.312 389.5472 8379.635 390.0293 8235.578 390.5114 8109.695 390.9936 7953.396 391.4757 7824.463 391.9578 7706.911 392.4399 7563.537 392.9220 7435.274 393.4041 7300.496 393.8863 7138.333 394.3684 7028.707 394.8505 6898.020 395.3326 6744.628 395.8147 6633.841 396.2968 6485.938 396.7790 6348.778 397.2611 6220.280 397.7432 6080.023 398.2253 5960.949 398.7074 5822.864 399.1895 5683.518 399.6717 5551.074 400.1538 5397.439 400.6359 5281.109 401.1180 5138.649 401.6001 5007.581 402.0822 4878.101 402.5644 4728.826 403.0465 4491.578 403.5286 4268.641 404.0107 4052.766 404.4928 3832.490 404.9749 3607.140 405.4571 3377.568 405.9392 3127.863 406.4213 2866.737 406.9034 2660.857 407.3855 2519.462 407.8676 2395.265 408.3498 2235.975 408.8319 2046.145 409.3140 1867.257 409.7961 1712.963 410.2782 1575.086 410.7603 1435.444 411.2425 1293.621 411.7246 1168.595 412.2067 1084.575 412.6888 1023.170 413.1709 954.7705 413.6530 868.7583 414.1351 779.2651 414.6172 695.2524 415.0994 617.5215 415.5815 543.4971 416.0636 464.4565 416.5457 393.9966 417.0278 343.5996 417.5099 320.5610 417.9921 300.5342 418.4742 269.7866 418.9563 236.5854 419.4384 213.2871 419.9205 224.1953 420.4026 226.2476 420.8848 200.0737 421.3669 140.2803 421.8490 87.02539 422.3311 40.09717 422.8132 4.262207 423.2953 16.24756 423.7775 7.719727 424.2596 2.779297 424.7417 5.412109 425.2238 14.74268 425.7059 26.21289 426.1880 41.77246 426.6702 56.20459 427.1523 65.93848 427.6344 69.55908 428.1165 73.78418 428.5986 78.54150 429.0807 84.39746 429.5629 95.51221 430.0450 113.3853 430.5271 124.9243 431.0092 123.4277 431.4913 109.7905 431.9734 84.63232 432.4556 44.30273 432.9377 9.882324 433.4198 13.04590 433.9019 45.86377 434.3840 74.61035 434.8661 79.44043 435.3483 77.74512 435.8304 102.0220 436.3125 149.6611 436.7946 189.1919 437.2767 190.4458 437.7589 172.4233 438.2410 160.4839 438.7231 167.0381 439.2052 170.9795 439.6873 148.2700 440.1694 110.8862 440.6516 91.79541 441.1337 131.8535 441.6158 174.1084 442.0979 183.5298 442.5800 144.0078 443.0621 109.1924 443.5443 92.96826 444.0264 87.30273 444.5085 81.40479 444.9906 74.26758 445.4727 66.59131 445.9548 56.71387 446.4370 44.23096 446.9191 39.43018 447.4012 47.89893 447.8833 58.27441 448.3654 62.60400 448.8475 61.73096 449.3297 51.30664 449.8118 24.21289 450.2939 9.692871 450.7760 16.05127 451.2581 10.23926 451.7402 37.43994 452.2224 46.41211 452.7045 38.80029 453.1866 33.42676 453.6687 68.50781 454.1508 11.00098 454.6329 26.06543 455.1151 43.81836 455.5972 15.86182 456.0793 23.87207 456.5614 23.43457 457.0435 21.30908 457.5256 74.79395 458.0077 25.73438 458.4898 78.17676 458.9720 89.94434 459.4541 120.1602 459.9362 110.0635 460.4183 112.2896 460.9004 154.6870 461.3825 174.7495 461.8647 159.6904 462.3468 190.4653 462.8289 138.9478 463.3110 159.5537 463.7931 211.3716 464.2752 197.9199 464.7574 229.0625 465.2395 243.1079 465.7216 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