#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:36:10 +0300 (Thu, 26 Apr 2018) $ #$Revision: 495 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000050.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_1000050 loop_ _publ_author_name 'Cooper, M. A.' 'Hawthorne, F. C.' _publ_section_title ; Local Pb-_ disorder in the crystal structure of jamesite, Pb2ZnFe2(Fe2.8Zn1.2)(AsO4)4(OH)8[(OH)1.2O.8], and revision of the chemical formula ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 53 _journal_page_last 60 _journal_volume 37 _journal_year 1999 _chemical_compound_source R060274 _chemical_formula_sum 'As4 Fe4.8 H10 O26 Pb4 Zn2.2' _chemical_name_mineral Jamesite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 109.81 _cell_angle_beta 90.57 _cell_angle_gamma 97.71 _cell_length_a 5.583 _cell_length_b 9.542 _cell_length_c 10.219 _cell_volume 506.653 _exptl_crystal_density_diffrn 6.445 _cod_original_formula_sum 'Pb4 As4 Zn2.2 Fe4.8 O26 H10' _cod_database_code 9004515 _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 R060274.rod _rod_data_source.block 3500000 _rod_database.code 1000050 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 9004515 COD http://www.crystallography.net/cod/9004515.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 178.3142 0.0000000E+00 178.7963 0.2268070 179.2784 1.600342 179.7606 3.459351 180.2427 5.242188 180.7248 3.276123 181.2069 0.8727420 181.6890 0.4647830 182.1711 0.6354370 182.6533 7.7941999E-02 183.1354 1.828735 183.6175 4.840149 184.0996 7.055176 184.5817 6.701965 185.0638 6.179504 185.5460 7.132202 186.0281 9.870300 186.5102 13.06177 186.9923 14.84589 187.4744 14.82733 187.9565 14.34351 188.4387 12.10474 188.9208 10.38129 189.4029 11.42981 189.8850 15.79639 190.3671 21.43610 190.8492 24.39764 191.3314 22.45886 191.8135 21.24109 192.2956 21.27441 192.7777 21.99164 193.2598 22.98999 193.7419 24.09576 194.2241 25.25116 194.7062 26.31995 195.1883 27.72388 195.6704 28.48608 196.1525 28.14417 196.6346 27.29205 197.1168 26.66882 197.5989 26.60828 198.0810 26.82220 198.5631 26.44617 199.0452 24.90271 199.5273 23.57214 200.0095 22.98743 200.4916 22.71265 200.9737 21.98157 201.4558 20.38776 201.9379 18.24133 202.4200 16.37213 202.9022 14.75397 203.3843 13.37585 203.8664 12.39844 204.3485 11.68152 204.8306 10.80743 205.3127 9.499634 205.7949 8.043274 206.2770 7.087769 206.7591 6.813110 207.2412 6.580444 207.7233 5.918213 208.2054 4.912292 208.6876 4.140991 209.1697 3.947449 209.6518 4.041199 210.1339 3.884277 210.6160 3.297546 211.0981 2.931091 211.5803 3.595337 212.0624 5.295715 212.5445 6.524414 213.0266 6.069641 213.5087 5.330078 213.9908 5.634155 214.4730 7.254089 214.9551 9.487244 215.4372 11.68842 215.9193 13.89435 216.4014 15.89124 216.8836 17.43140 217.3657 18.84326 217.8478 20.22552 218.3299 21.58411 218.8120 23.17737 219.2941 25.62640 219.7763 29.48700 220.2584 32.31134 220.7405 33.09503 221.2226 33.11652 221.7047 32.96375 222.1868 32.84058 222.6690 33.04596 223.1511 34.17633 223.6332 36.79834 224.1153 39.07416 224.5974 40.88287 225.0795 42.31329 225.5617 43.34644 226.0438 44.00171 226.5259 44.43036 227.0080 44.91205 227.4901 45.64624 227.9722 46.04810 228.4544 45.87628 228.9365 45.55878 229.4186 45.35767 229.9007 45.37238 230.3828 45.62714 230.8649 46.17645 231.3471 47.16882 231.8292 48.26056 232.3113 49.46863 232.7934 50.74994 233.2755 52.09003 233.7576 53.47406 234.2398 54.88239 234.7219 56.28235 235.2040 57.80847 235.6861 59.03961 236.1682 59.75385 236.6503 60.25903 237.1325 60.75952 237.6146 61.30493 238.0967 61.75323 238.5788 61.85693 239.0609 61.28357 239.5430 61.14899 240.0252 62.13110 240.5073 63.30975 240.9894 63.59833 241.4715 62.74597 241.9536 61.50726 242.4357 60.77307 242.9179 60.51532 243.4000 61.03137 243.8821 63.72571 244.3642 66.62518 244.8463 67.25244 245.3284 65.01953 245.8106 61.86322 246.2927 59.94214 246.7748 59.27704 247.2569 59.02209 247.7390 59.35541 248.2211 60.02576 248.7033 60.89880 249.1854 61.99634 249.6675 62.59064 250.1496 61.32794 250.6317 58.55212 251.1138 56.91461 251.5960 57.97589 252.0781 60.00943 252.5602 60.57764 253.0423 59.25278 253.5244 57.81656 254.0065 58.09799 254.4887 59.54135 254.9708 60.65753 255.4529 60.72952 255.9350 60.39978 256.4171 60.67670 256.8992 61.71002 257.3813 62.54227 257.8635 62.37076 258.3456 61.61417 258.8277 60.81671 259.3098 59.91333 259.7919 59.21155 260.2740 59.34021 260.7562 60.53119 261.2383 61.67441 261.7204 62.02704 262.2025 61.97232 262.6846 61.94128 263.1667 62.06641 263.6489 62.25055 264.1310 62.20334 264.6131 61.74881 265.0952 61.83200 265.5773 63.85519 266.0594 66.24982 266.5416 67.28320 267.0237 66.12097 267.5058 64.47403 267.9879 64.83093 268.4700 67.64795 268.9521 70.38370 269.4343 72.11304 269.9164 73.45459 270.3985 74.85217 270.8806 76.42618 271.3627 77.93771 271.8448 78.99457 272.3270 79.47052 272.8091 80.15558 273.2912 80.93762 273.7733 82.19360 274.2554 84.50793 274.7375 87.93103 275.2197 91.39301 275.7018 93.73434 276.1839 94.84033 276.6660 95.50964 277.1481 95.07608 277.6302 94.77667 278.1124 95.54831 278.5945 97.29910 279.0766 98.91458 279.5587 99.09344 280.0408 97.62805 280.5229 96.63275 281.0051 96.40485 281.4872 96.53516 281.9693 97.28403 282.4514 98.36136 282.9335 98.94550 283.4156 98.12402 283.8978 95.85635 284.3799 94.12433 284.8620 93.78281 285.3441 93.12033 285.8262 91.33194 286.3083 88.75482 286.7905 86.17615 287.2726 84.19263 287.7547 82.72287 288.2368 81.06293 288.7189 79.41827 289.2010 77.26761 289.6832 74.07227 290.1653 70.39667 290.6474 67.11545 291.1295 64.82782 291.6116 63.19217 292.0938 60.82907 292.5759 57.40625 293.0580 53.66620 293.5401 49.46085 294.0222 45.16568 294.5043 41.14261 294.9865 37.53897 295.4686 34.42194 295.9507 32.04419 296.4328 31.03033 296.9149 29.65906 297.3970 27.84903 297.8792 25.58777 298.3613 22.64966 298.8434 19.01880 299.3255 15.27921 299.8076 12.47269 300.2897 11.11945 300.7719 9.536316 301.2540 7.135406 301.7361 4.869476 302.2182 3.406799 302.7003 2.814789 303.1824 2.595520 303.6646 2.226868 304.1467 1.793549 304.6288 0.8777160 305.1109 1.182709 305.5930 3.132477 306.0751 4.393707 306.5573 4.980957 307.0394 5.213867 307.5215 5.359283 308.0036 5.422150 308.4857 5.357330 308.9678 4.884613 309.4500 4.558899 309.9321 4.600433 310.4142 4.916016 310.8963 5.309113 311.3784 5.666107 311.8605 5.979462 312.3427 6.193756 312.8248 6.744232 313.3069 6.623871 313.7890 5.418518 314.2711 3.523499 314.7532 1.308167 315.2354 1.065704 315.7175 3.395050 316.1996 4.957611 316.6817 4.648224 317.1638 5.387024 317.6459 8.348999 318.1281 11.91626 318.6102 14.43011 319.0923 15.42838 319.5744 15.99075 320.0565 17.99500 320.5386 22.21811 321.0208 26.11356 321.5029 29.41125 321.9850 32.52264 322.4671 35.83652 322.9492 39.32806 323.4313 42.53290 323.9135 44.77902 324.3956 45.67969 324.8777 47.59311 325.3598 51.50842 325.8419 55.52219 326.3240 59.06296 326.8062 62.10294 327.2883 64.85193 327.7704 67.49274 328.2525 70.00919 328.7346 72.17120 329.2167 73.48929 329.6989 75.01855 330.1810 77.49127 330.6631 80.23792 331.1452 82.23895 331.6273 82.92279 332.1094 82.60699 332.5916 82.05365 333.0737 79.98999 333.5558 80.05353 334.0379 84.63812 334.5200 90.37198 335.0021 93.99179 335.4843 94.47293 335.9664 93.31573 336.4485 92.78268 336.9306 92.92813 337.4127 93.55115 337.8948 94.45996 338.3770 95.93576 338.8591 98.48465 339.3412 101.9791 339.8233 105.5183 340.3055 108.3092 340.7876 110.3295 341.2697 111.6939 341.7518 111.4592 342.2339 111.4698 342.7160 112.5752 343.1982 114.5099 343.6803 116.5734 344.1624 118.3728 344.6445 119.9085 345.1266 121.1268 345.6087 121.7399 346.0909 122.5115 346.5730 123.5630 347.0551 124.9325 347.5372 126.8292 348.0193 129.5047 348.5014 132.2293 348.9836 133.6094 349.4657 133.3080 349.9478 132.7682 350.4299 131.8798 350.9120 131.1906 351.3941 131.2523 351.8763 132.1495 352.3584 133.2499 352.8405 133.8323 353.3226 133.8762 353.8047 134.2622 354.2868 135.8770 354.7690 137.0103 355.2511 136.0717 355.7332 133.5474 356.2153 131.5549 356.6974 131.7984 357.1795 133.7321 357.6617 135.3082 358.1438 136.5916 358.6259 137.2964 359.1080 136.9647 359.5901 136.0060 360.0722 135.0509 360.5544 134.3137 361.0365 133.7383 361.5186 133.1385 362.0007 132.4662 362.4828 132.1722 362.9649 133.0641 363.4471 133.9322 363.9292 133.3514 364.4113 131.0103 364.8934 128.1925 365.3755 125.6040 365.8576 123.2921 366.3398 121.6009 366.8219 120.9545 367.3040 120.4849 367.7861 119.1050 368.2682 116.9010 368.7503 114.9534 369.2325 113.9800 369.7146 113.4556 370.1967 112.4850 370.6788 110.9376 371.1609 109.1496 371.6430 107.2415 372.1252 105.3721 372.6073 103.9821 373.0894 103.9651 373.5715 103.7122 374.0536 101.3720 374.5357 97.33435 375.0179 94.18521 375.5000 93.45352 375.9821 94.17432 376.4642 94.04886 376.9463 92.76208 377.4284 91.49670 377.9106 90.82217 378.3927 90.42853 378.8748 89.93054 379.3569 89.27872 379.8390 88.07233 380.3211 85.44067 380.8033 80.93219 381.2854 77.80670 381.7675 77.49240 382.2496 77.80228 382.7317 77.00180 383.2138 75.04358 383.6960 72.89136 384.1781 71.29654 384.6602 70.18747 385.1423 68.40463 385.6244 65.75571 386.1065 62.78384 386.5887 59.25812 387.0708 55.69000 387.5529 52.90430 388.0350 51.28091 388.5171 50.36557 388.9992 49.14340 389.4814 47.51657 389.9635 45.49924 390.4456 42.79361 390.9277 39.91220 391.4098 37.43277 391.8919 35.39459 392.3741 33.17157 392.8562 30.01514 393.3383 25.71335 393.8204 22.19601 394.3025 19.66653 394.7846 17.65427 395.2668 16.05756 395.7489 14.85675 396.2310 14.13522 396.7131 13.98062 397.1952 14.13745 397.6773 13.82535 398.1595 12.88132 398.6416 11.71735 399.1237 10.11606 399.6058 8.509064 400.0879 7.212158 400.5700 6.314453 401.0522 5.780090 401.5343 5.731140 402.0164 6.341675 402.4985 6.379974 402.9806 4.870911 403.4627 3.666748 403.9449 3.950623 404.4270 5.219177 404.9091 6.085846 405.3912 5.512756 405.8733 4.004272 406.3554 3.119415 406.8376 2.934875 407.3197 3.172668 407.8018 4.072083 408.2839 5.167206 408.7660 5.969147 409.2481 6.339874 409.7303 6.563843 410.2124 7.012085 410.6945 7.651825 411.1766 7.911438 411.6587 7.433746 412.1408 6.843597 412.6230 6.592133 413.1051 6.685150 413.5872 7.251160 414.0693 8.757935 414.5514 10.61853 415.0335 11.82437 415.5157 12.27072 415.9978 12.61490 416.4799 13.33340 416.9620 14.25217 417.4441 14.84497 417.9262 14.96982 418.4084 14.92761 418.8905 14.57990 419.3726 14.18460 419.8547 14.57019 420.3368 16.16556 420.8189 18.16055 421.3011 19.19403 421.7832 19.02777 422.2653 18.99066 422.7474 19.10855 423.2295 19.49216 423.7116 20.49576 424.1938 22.00040 424.6759 23.23459 425.1580 23.57840 425.6401 23.07419 426.1222 22.48578 426.6043 20.99487 427.0865 20.37164 427.5686 22.05475 428.0507 24.55252 428.5328 25.68622 429.0149 24.63736 429.4970 22.42337 429.9792 20.77588 430.4613 19.76752 430.9434 19.19815 431.4255 19.47925 431.9076 19.75775 432.3897 19.54791 432.8719 18.88437 433.3540 18.10959 433.8361 17.57312 434.3182 17.15234 434.8003 15.80173 435.2824 12.46460 435.7646 9.855652 436.2467 9.046448 436.7288 9.026917 437.2109 8.733276 437.6930 7.829071 438.1751 6.780457 438.6573 6.174957 439.1394 6.042267 439.6215 5.987274 440.1036 6.358856 440.5857 6.312775 441.0678 4.945313 441.5500 2.631805 442.0321 0.8006590 442.5142 0.6935420 442.9963 1.310425 443.4784 0.5603940 443.9605 1.784363 444.4427 3.694916 444.9248 3.743317 445.4069 2.926239 445.8890 3.172180 446.3711 5.162964 446.8532 6.534210 447.3354 4.933441 447.8175 1.886047 448.2996 1.112427 448.7817 3.700714 449.2638 6.916168 449.7459 7.739929 450.2281 5.989136 450.7102 4.613708 451.1923 3.949066 451.6744 3.483887 452.1565 2.945892 452.6386 2.343079 453.1208 1.850952 453.6029 1.623932 454.0850 1.360138 454.5671 0.2057500 455.0492 3.439728 455.5313 5.772430 456.0135 5.622559 456.4956 4.905243 456.9777 4.998962 457.4598 6.163300 457.9419 8.074341 458.4240 10.52457 458.9062 13.52292 459.3883 16.28271 459.8704 18.42020 460.3525 20.76730 460.8346 23.63657 461.3167 26.76715 461.7989 29.78027 462.2810 32.53757 462.7631 35.28842 463.2452 38.53888 463.7273 42.43802 464.2094 45.90768 464.6916 48.04797 465.1737 50.46451 465.6558 54.28851 466.1379 59.22729 466.6200 64.16068 467.1021 68.42990 467.5843 72.32086 468.0664 76.24353 468.5485 80.14645 469.0306 84.57501 469.5127 90.05078 469.9948 96.07162 470.4770 101.7504 470.9591 106.9882 471.4412 112.1601 471.9233 117.2486 472.4054 122.4577 472.8875 128.2279 473.3697 134.6682 473.8518 141.2545 474.3339 147.6172 474.8160 153.7077 475.2981 159.2943 475.7802 164.0645 476.2624 168.6547 476.7445 173.0491 477.2266 177.5320 477.7087 182.6802 478.1908 188.7639 478.6729 195.2795 479.1551 201.3331 479.6372 206.9198 480.1193 212.0146 480.6014 216.8880 481.0835 221.1200 481.5656 223.7945 482.0478 225.5698 482.5299 228.2018 483.0120 232.9777 483.4941 239.2145 483.9762 244.2263 484.4583 247.6998 484.9405 250.5388 485.4226 252.6442 485.9047 254.4460 486.3868 256.0069 486.8689 257.4390 487.3510 259.3546 487.8332 263.1851 488.3153 268.1745 488.7974 270.2517 489.2795 268.1295 489.7616 265.8997 490.2437 265.9016 490.7259 267.4493 491.2080 269.8696 491.6901 273.7137 492.1722 277.0724 492.6543 278.0540 493.1364 277.4171 493.6186 277.4610 494.1007 278.8777 494.5828 280.5983 495.0649 281.3448 495.5470 280.9973 496.0291 280.9790 496.5113 281.5196 496.9934 282.2270 497.4755 282.8660 497.9576 283.4881 498.4397 284.2749 498.9218 285.3227 499.4040 286.5133 499.8861 287.5595 500.3682 288.2495 500.8503 289.1802 501.3324 290.8142 501.8145 292.2096 502.2967 292.5598 502.7788 292.2664 503.2609 292.2089 503.7430 292.9130 504.2251 294.2628 504.7072 296.1363 505.1894 299.1732 505.6715 301.6450 506.1536 302.5369 506.6357 302.7914 507.1178 303.3767 507.5999 304.4687 508.0821 305.1035 508.5642 303.9507 509.0463 301.7245 509.5284 300.7980 510.0105 301.5669 510.4926 302.2470 510.9748 302.0580 511.4569 300.9995 511.9390 299.0038 512.4211 295.4305 512.9032 292.0768 513.3853 290.2300 513.8674 289.1116 514.3495 287.4330 514.8317 284.8365 515.3138 281.6012 515.7959 278.0603 516.2780 274.2289 516.7601 270.6201 517.2422 267.3727 517.7244 264.0040 518.2065 260.5190 518.6886 256.7348 519.1707 252.1982 519.6528 246.8271 520.1349 241.3646 520.6171 237.1537 521.0992 234.7341 521.5813 231.3100 522.0634 226.0320 522.5455 220.6411 523.0276 216.0107 523.5098 211.6847 523.9919 206.6607 524.4740 200.1911 524.9561 193.3708 525.4382 187.9464 525.9203 184.0555 526.4025 179.8612 526.8846 174.7757 527.3667 169.5357 527.8488 164.7615 528.3309 160.3979 528.8130 156.0888 529.2952 151.6854 529.7773 147.3587 530.2594 143.3912 530.7415 139.6887 531.2236 135.7412 531.7057 131.3039 532.1879 126.4234 532.6700 121.2058 533.1521 115.2884 533.6342 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560.6328 1.093552 561.1149 0.1883540 561.5970 7.8812003E-02 562.0791 0.5158540 562.5612 0.8884740 563.0433 0.7448880 563.5255 0.3868100 564.0076 0.1063690 564.4897 0.6157990 564.9718 0.8081210 565.4539 0.4387050 565.9360 0.3330080 566.4182 0.9848330 566.9003 1.758530 567.3824 1.933823 567.8645 0.7481080 568.3466 0.3747710 568.8287 0.3296810 569.3109 0.6489260 569.7930 1.440689 570.2751 1.249542 570.7572 0.5531010 571.2393 0.4803310 571.7214 1.114899 572.2036 1.258560 572.6857 1.4435000E-02 573.1678 1.313873 573.6499 0.8803100 574.1320 1.255112 574.6141 2.741776 575.0963 2.594543 575.5784 1.809540 576.0605 1.024902 576.5426 0.3278960 577.0247 0.1224370 577.5068 0.2359310 577.9890 0.1893310 578.4711 0.3557740 578.9532 1.075760 579.4353 1.109818 579.9174 5.7556000E-02 580.3995 1.306198 580.8817 2.433258 581.3638 3.180191 581.8459 3.038788 582.3280 1.703751 582.8101 8.5464001E-02 583.2922 1.136826 583.7744 1.406296 584.2565 1.525940 584.7386 1.365204 585.2207 1.366913 585.7029 2.017288 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