#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:26:56 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1099 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000535.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_1000535 loop_ _publ_author_name 'Giuseppetti, G.' 'Mazzi, F.' 'Tadini, C.' _publ_section_title ; The crystal structure of chalcosiderite, CuFe3+6(PO4)4(OH)8*4H2O Locality: Wheal Phoenix Mine, Cornwall, England ; _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_page_first 227 _journal_page_last 239 _journal_volume 1989 _journal_year 1989 _chemical_compound_source R060007 _chemical_formula_sum 'Al0.54 Cu Fe5.46 H16 O28 P4' _chemical_name_mineral Chalcosiderite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 67.57 _cell_angle_beta 69.17 _cell_angle_gamma 64.93 _cell_length_a 7.653 _cell_length_b 7.873 _cell_length_c 10.190 _cell_volume 500.076 _exptl_crystal_density_diffrn 3.224 _cod_original_formula_sum 'Cu (Fe5.46 Al.54) P4 O28 H16' _cod_database_code 9009359 _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 R060007.rod _rod_data_source.block 3500000 _rod_database.code 1000535 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 9009359 COD http://www.crystallography.net/cod/9009359.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 121.0265 0.0000000E+00 121.5086 1.423553 121.9907 3.066620 122.4728 4.547729 122.9550 5.793854 123.4371 5.869324 123.9192 4.080872 124.4013 2.201813 124.8834 1.883575 125.3655 3.022705 125.8476 4.414703 126.3298 5.180023 126.8119 4.759521 127.2940 4.502747 127.7761 4.465424 128.2582 4.346283 128.7404 4.747009 129.2225 6.425385 129.7046 8.110626 130.1867 7.712128 130.6688 5.959991 131.1509 6.072479 131.6331 7.142792 132.1152 7.673737 132.5973 7.579315 133.0794 6.627411 133.5615 4.691681 134.0436 3.304535 134.5258 4.005890 135.0079 4.438751 135.4900 4.329559 135.9721 3.816132 136.4542 2.941315 136.9363 1.533783 137.4185 0.3077090 137.9006 0.7481990 138.3827 1.691803 138.8648 3.782562 139.3469 3.643982 139.8290 1.568634 140.3112 0.7221980 140.7933 1.904968 141.2754 1.971069 141.7575 1.746887 142.2396 0.9063720 142.7217 2.8534001E-02 143.2039 0.4579770 143.6860 0.2737430 144.1681 8.4686004E-02 144.6502 0.4927980 145.1323 0.8345030 145.6144 0.7433470 146.0966 0.2773130 146.5787 1.885437 147.0608 2.969788 147.5429 3.172791 148.0250 3.238281 148.5071 3.715637 148.9893 4.450287 149.4714 4.999573 149.9535 4.932037 150.4356 4.198090 150.9177 3.577179 151.3998 2.888123 151.8820 2.483490 152.3641 2.697662 152.8462 3.427917 153.3283 4.204865 153.8104 4.445953 154.2925 3.859436 154.7747 3.548615 155.2568 3.242188 155.7389 3.320984 156.2210 4.244415 156.7031 6.007874 157.1852 8.036713 157.6673 9.412964 158.1495 9.422699 158.6316 9.967346 159.1137 11.40167 159.5958 13.19809 160.0779 14.87613 160.5600 16.28296 161.0422 17.45917 161.5243 18.37802 162.0064 18.65372 162.4885 19.54770 162.9706 22.10941 163.4527 25.45325 163.9349 27.60190 164.4170 27.34332 164.8991 26.23047 165.3812 27.34213 165.8633 31.31332 166.3454 35.28915 166.8276 37.33301 167.3097 37.72098 167.7918 38.64270 168.2739 41.13342 168.7560 44.48184 169.2381 47.82059 169.7203 51.07938 170.2024 54.28983 170.6845 57.50562 171.1666 60.72430 171.6487 63.90076 172.1308 66.89969 172.6130 69.89932 173.0951 73.06842 173.5772 76.47430 174.0593 79.96832 174.5414 83.26468 175.0235 86.13446 175.5057 89.28018 175.9878 92.94452 176.4699 96.84265 176.9520 100.9258 177.4341 105.2019 177.9162 109.3236 178.3984 112.1859 178.8805 112.3456 179.3626 113.3640 179.8447 115.9382 180.3268 119.5363 180.8089 123.6790 181.2911 128.1422 181.7732 132.7322 182.2553 136.3376 182.7374 137.9141 183.2195 139.6765 183.7016 142.2231 184.1838 145.2400 184.6659 148.1135 185.1480 150.4607 185.6301 152.3454 186.1122 154.3852 186.5943 156.7963 187.0765 159.1016 187.5586 160.9958 188.0407 162.5901 188.5228 164.3423 189.0049 166.7341 189.4870 169.5085 189.9692 171.2325 190.4513 170.7089 190.9334 170.1669 191.4155 171.2643 191.8976 173.9224 192.3797 176.6333 192.8619 178.2839 193.3440 179.2228 193.8261 180.5048 194.3082 182.5616 194.7903 184.7747 195.2724 186.5066 195.7546 187.7844 196.2367 188.8229 196.7188 189.8340 197.2009 190.4965 197.6830 190.1565 198.1651 187.9130 198.6473 184.9513 199.1294 183.5500 199.6115 184.4029 200.0936 185.2255 200.5757 184.8259 201.0578 183.7450 201.5400 182.6736 202.0221 181.9597 202.5042 181.3891 202.9863 180.4440 203.4684 179.0136 203.9505 177.6253 204.4327 176.2875 204.9148 175.0112 205.3969 173.9138 205.8790 173.2688 206.3611 172.8604 206.8432 171.3772 207.3254 167.5481 207.8075 164.2251 208.2896 162.2320 208.7717 161.0280 209.2538 159.7983 209.7359 158.0680 210.2181 155.8648 210.7002 153.7673 211.1823 152.1933 211.6644 150.3977 212.1465 147.9086 212.6286 145.0278 213.1108 142.4077 213.5929 140.6458 214.0750 139.6910 214.5571 138.0815 215.0392 135.1826 215.5213 132.2704 216.0035 129.5857 216.4856 127.1773 216.9677 125.1821 217.4498 123.7509 217.9319 122.8186 218.4140 121.1829 218.8962 117.9368 219.3783 115.0784 219.8604 113.7861 220.3425 113.6063 220.8246 113.0858 221.3067 111.2243 221.7889 108.2122 222.2710 105.5884 222.7531 103.4821 223.2352 101.5865 223.7173 99.76740 224.1994 98.02789 224.6816 96.39716 225.1637 94.94513 225.6458 93.60211 226.1279 92.10538 226.6100 90.57724 227.0921 88.78650 227.5743 86.35931 228.0564 83.38052 228.5385 80.62320 229.0206 78.64560 229.5027 77.13773 229.9848 75.44305 230.4670 73.50333 230.9491 71.38199 231.4312 68.88260 231.9133 65.99258 232.3954 63.67300 232.8775 62.83258 233.3597 62.64270 233.8418 62.03006 234.3239 60.77377 234.8060 59.21411 235.2881 57.70453 235.7702 56.26654 236.2524 54.66626 236.7345 52.41248 237.2166 50.17599 237.6987 48.68301 238.1808 48.18442 238.6629 47.98029 239.1451 47.22330 239.6272 45.82037 240.1093 44.36496 240.5914 42.83911 241.0735 41.44553 241.5556 40.40924 242.0378 39.78186 242.5199 39.31891 243.0020 38.77496 243.4841 38.24136 243.9662 37.27402 244.4483 34.99973 244.9305 32.77811 245.4126 31.68594 245.8947 31.91238 246.3768 32.50409 246.8589 32.08517 247.3410 30.23120 247.8232 28.68723 248.3053 28.01767 248.7874 27.39194 249.2695 26.17947 249.7516 24.32941 250.2337 22.38446 250.7159 21.22440 251.1980 21.48987 251.6801 20.76562 252.1622 17.93698 252.6443 15.05789 253.1264 13.44775 253.6086 13.17603 254.0907 13.28900 254.5728 12.56305 255.0549 10.55356 255.5370 9.045288 256.0191 8.460327 256.5013 7.938385 256.9834 6.974182 257.4655 5.565613 257.9476 4.057251 258.4297 2.791687 258.9118 1.716919 259.3940 1.127930 259.8761 1.708008 260.3582 2.084839 260.8403 1.222351 261.3224 0.6607970 261.8045 2.421295 262.2867 2.916382 262.7688 1.883209 263.2509 1.338318 263.7330 1.228455 264.2151 1.525940 264.6972 2.571838 265.1794 4.107758 265.6615 5.395569 266.1436 5.809448 266.6257 5.314056 267.1078 4.658508 267.5899 3.553619 268.0721 2.596649 268.5542 2.279602 269.0363 2.369385 269.5184 2.109436 270.0005 0.8631590 270.4826 1.245422 270.9648 2.298615 271.4469 1.360077 271.9290 0.5902100 272.4111 0.6929320 272.8932 1.579803 273.3753 3.087402 273.8575 5.269073 274.3396 7.866455 274.8217 9.492188 275.3038 9.381470 275.7859 9.395874 276.2680 10.10956 276.7502 11.35611 277.2323 12.83011 277.7144 14.42776 278.1965 16.09387 278.6786 17.66138 279.1607 19.08978 279.6429 20.51309 280.1250 22.08655 280.6071 23.67221 281.0892 24.91428 281.5713 25.60727 282.0534 26.15771 282.5356 27.42566 283.0177 29.49289 283.4998 31.73251 283.9819 34.00381 284.4640 36.34766 284.9461 38.87650 285.4283 41.64990 285.9104 44.46338 286.3925 47.11041 286.8746 49.64572 287.3567 51.73428 287.8388 53.01596 288.3210 53.93567 288.8031 54.97733 289.2852 56.21394 289.7673 57.74095 290.2494 59.79164 290.7315 62.34250 291.2137 64.75632 291.6958 66.84888 292.1779 68.82056 292.6600 70.92381 293.1421 73.18561 293.6242 75.36169 294.1064 77.26804 294.5885 78.90250 295.0706 80.28575 295.5527 81.02304 296.0348 81.78152 296.5169 83.26366 296.9991 85.44846 297.4812 87.59482 297.9633 89.09503 298.4454 90.24292 298.9275 91.98436 299.4096 95.22507 299.8918 98.12076 300.3739 98.83215 300.8560 97.71854 301.3381 97.34082 301.8202 99.18665 302.3023 102.2176 302.7845 104.2482 303.2666 104.9514 303.7487 105.5221 304.2308 106.6526 304.7129 108.1755 305.1950 109.5986 305.6772 110.8520 306.1593 111.8238 306.6414 112.2824 307.1235 112.1726 307.6056 112.0733 308.0877 112.3199 308.5699 112.7966 309.0520 113.2359 309.5341 113.6170 310.0162 113.8035 310.4983 113.4951 310.9804 112.7876 311.4626 112.2795 311.9447 112.2602 312.4268 112.5155 312.9089 112.8589 313.3910 113.3620 313.8731 113.4861 314.3553 112.3134 314.8374 110.3069 315.3195 108.9710 315.8016 109.1931 316.2837 109.8665 316.7658 109.8373 317.2480 109.0796 317.7301 108.0258 318.2122 106.8565 318.6943 105.5086 319.1764 103.9052 319.6585 102.2247 320.1407 100.1099 320.6228 96.79688 321.1049 92.52003 321.5870 89.25995 322.0691 88.33740 322.5512 88.47000 323.0334 87.25388 323.5155 84.33707 323.9976 81.39011 324.4797 79.70419 324.9618 78.78513 325.4439 76.96445 325.9261 73.39497 326.4082 69.42238 326.8903 67.01227 327.3724 66.17926 327.8545 65.11441 328.3366 62.90802 328.8188 60.08670 329.3009 57.58818 329.7830 55.57492 330.2651 53.80716 330.7472 52.25285 331.2293 50.82553 331.7115 48.94849 332.1936 45.86011 332.6757 42.64114 333.1578 40.49185 333.6399 39.46663 334.1220 38.77844 334.6042 38.08411 335.0863 37.29230 335.5684 36.16776 336.0505 34.37318 336.5326 32.57408 337.0147 31.28705 337.4969 30.39996 337.9790 29.35458 338.4611 27.77956 338.9432 26.03107 339.4253 24.87158 339.9074 24.40372 340.3896 24.15454 340.8717 24.27313 341.3538 24.44537 341.8359 23.93405 342.3180 22.42410 342.8001 20.55905 343.2823 19.21225 343.7644 18.38976 344.2465 17.74995 344.7286 17.39857 345.2107 17.11403 345.6928 16.67728 346.1750 16.05432 346.6571 15.25987 347.1392 14.28166 347.6213 13.10326 348.1034 11.93782 348.5855 10.62105 349.0677 9.447891 349.5498 8.513916 350.0319 7.858093 350.5140 7.736755 350.9961 8.531967 351.4782 9.851089 351.9604 9.832596 352.4425 7.252640 352.9246 5.061646 353.4067 4.514008 353.8888 4.907349 354.3709 5.034424 354.8531 4.443359 355.3352 3.341904 355.8173 2.043869 356.2994 0.2223510 356.7815 1.037354 357.2636 1.280716 357.7458 1.120834 358.2279 1.163101 358.7100 1.505875 359.1921 1.827911 359.6742 1.728531 360.1563 1.074570 360.6385 0.8588410 361.1206 1.520981 361.6027 2.177124 362.0848 2.284592 362.5669 1.949432 363.0490 1.635208 363.5312 1.681717 364.0133 2.013870 364.4954 2.000351 364.9775 1.175735 365.4596 0.5790860 365.9417 0.6759030 366.4239 1.044830 366.9060 1.061554 367.3881 0.4738310 367.8702 0.4146730 368.3523 0.9731140 368.8344 0.8718260 369.3166 0.9654080 369.7987 1.244614 370.2808 1.705048 370.7629 2.364258 371.2450 3.211884 371.7271 4.227219 372.2093 5.451767 372.6914 7.019135 373.1735 7.961517 373.6556 7.896988 374.1377 7.632248 374.6198 7.151947 375.1020 6.701248 375.5841 6.736679 376.0662 7.592361 376.5483 9.081940 377.0304 10.30811 377.5125 11.14412 377.9947 11.87259 378.4768 12.32719 378.9589 12.80173 379.4410 13.65454 379.9231 14.98950 380.4052 16.49101 380.8874 17.72043 381.3695 18.68724 381.8516 19.32469 382.3337 19.03525 382.8158 18.89969 383.2979 19.59781 383.7801 21.04276 384.2622 22.62225 384.7443 23.84151 385.2264 24.72513 385.7085 25.62717 386.1906 26.51834 386.6728 27.47951 387.1549 28.74071 387.6370 30.03903 388.1191 30.90033 388.6012 30.99918 389.0833 30.82759 389.5655 31.29916 390.0476 32.54129 390.5297 33.84976 391.0118 35.39529 391.4939 36.66396 391.9760 36.95819 392.4582 36.16241 392.9403 35.52802 393.4224 36.42004 393.9045 38.51945 394.3866 39.84247 394.8687 39.96634 395.3509 39.48413 395.8330 38.43134 396.3151 37.09901 396.7972 36.53053 397.2793 37.73045 397.7614 39.63733 398.2436 40.80086 398.7257 41.17888 399.2078 41.12434 399.6899 40.55280 400.1720 39.77962 400.6541 39.54309 401.1363 40.30200 401.6184 40.79506 402.1005 40.04231 402.5826 38.42632 403.0647 36.98883 403.5468 36.04672 404.0290 35.39041 404.5111 34.75034 404.9932 34.11935 405.4753 33.54477 405.9574 32.92836 406.4395 32.43858 406.9217 32.43886 407.4038 32.88112 407.8859 33.06104 408.3680 32.38785 408.8501 30.92142 409.3322 29.61172 409.8144 28.34941 410.2965 27.32138 410.7786 26.71770 411.2607 26.36801 411.7428 25.94574 412.2249 25.31589 412.7071 24.64270 413.1892 24.28435 413.6713 24.82582 414.1534 24.58374 414.6355 23.03392 415.1176 21.09416 415.5998 19.10727 416.0819 17.29297 416.5640 16.11044 417.0461 16.06909 417.5282 17.20216 418.0103 18.09975 418.4925 18.58260 418.9746 18.94624 419.4567 19.28641 419.9388 19.55830 420.4209 19.64757 420.9030 19.49170 421.3852 19.21231 421.8673 19.10190 422.3494 19.30049 422.8315 19.37906 423.3136 18.91248 423.7957 18.57501 424.2779 18.86201 424.7600 19.74893 425.2421 20.80504 425.7242 21.64706 426.2063 22.29112 426.6884 23.14212 427.1706 24.47577 427.6527 25.59587 428.1348 25.92297 428.6169 25.90854 429.0990 26.26102 429.5811 27.33891 430.0633 28.72462 430.5454 29.93143 431.0275 30.92227 431.5096 31.50027 431.9917 31.33952 432.4738 31.07983 432.9560 31.36417 433.4381 32.15695 433.9202 33.05283 434.4023 34.01317 434.8844 35.01399 435.3665 35.81035 435.8487 36.30902 436.3308 37.00989 436.8129 38.58830 437.2950 40.69962 437.7771 41.87740 438.2592 41.27563 438.7414 40.54208 439.2235 40.64639 439.7056 41.25551 440.1877 41.64922 440.6698 41.59740 441.1519 41.48438 441.6341 41.90326 442.1162 43.13351 442.5983 43.66568 443.0804 42.65472 443.5625 41.64043 444.0446 42.13445 444.5268 43.89886 445.0089 45.29054 445.4910 44.97003 445.9731 43.16542 446.4552 42.15854 446.9373 42.74109 447.4195 43.18195 447.9016 43.07228 448.3837 42.76904 448.8658 42.79674 449.3479 43.27187 449.8300 43.70952 450.3122 43.37038 450.7943 42.04399 451.2764 40.72639 451.7585 38.99992 452.2406 37.68344 452.7227 37.31316 453.2049 37.61948 453.6870 38.01418 454.1691 38.21968 454.6512 38.19046 455.1333 37.70761 455.6154 36.55354 456.0976 35.60147 456.5797 35.48172 457.0618 35.45776 457.5439 34.84276 458.0260 33.55240 458.5081 32.31158 458.9903 31.93414 459.4724 32.09293 459.9545 31.53343 460.4366 29.96449 460.9187 28.10988 461.4008 26.15639 461.8830 24.33063 462.3651 23.31447 462.8472 23.88425 463.3293 24.59712 463.8114 24.35840 464.2935 23.34648 464.7756 22.14986 465.2578 20.92633 465.7399 19.76318 466.2220 18.85703 466.7041 18.26054 467.1862 17.66133 467.6683 17.01341 468.1505 16.35585 468.6326 15.75294 469.1147 15.18303 469.5968 14.54277 470.0789 13.73764 470.5610 12.80518 471.0432 12.02086 471.5253 11.35530 472.0074 10.87466 472.4895 10.94801 472.9716 11.01680 473.4537 10.41409 473.9359 9.049545 474.4180 7.477249 474.9001 6.324661 475.3822 5.609329 475.8643 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