#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:33:17 +0300 (Thu, 24 May 2018) $ #$Revision: 718 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000224.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_1000224 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 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 R060274.rod _rod_data_source.block 3500000 _rod_database.code 1000224 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 176.7911 0.0000000E+00 177.2732 2.656555 177.7553 4.328827 178.2374 3.742493 178.7195 2.635132 179.2017 1.126373 179.6838 0.1481930 180.1659 0.3678890 180.6480 0.5027160 181.1301 0.3078920 181.6122 0.1479190 182.0944 0.9553530 182.5765 1.912262 183.0586 2.711151 183.5407 3.328552 184.0228 3.909729 184.5049 4.479828 184.9871 5.084808 185.4692 5.876770 185.9513 7.069672 186.4334 8.419708 186.9155 9.195313 187.3976 9.323700 187.8798 9.651581 188.3619 11.48660 188.8440 14.54947 189.3261 16.88040 189.8082 17.41470 190.2903 16.73282 190.7725 16.98788 191.2546 18.28067 191.7367 19.99426 192.2188 21.32675 192.7009 22.32834 193.1830 23.79730 193.6652 26.56198 194.1473 30.24915 194.6294 32.13971 195.1115 31.96576 195.5936 30.90863 196.0757 30.24564 196.5579 29.96417 197.0400 30.35861 197.5221 31.86435 198.0042 34.37314 198.4863 36.30966 198.9684 37.61435 199.4506 38.46271 199.9327 39.05933 200.4148 39.40170 200.8969 39.55600 201.3790 39.44110 201.8611 39.03735 202.3433 38.92050 202.8254 39.12698 203.3075 39.54840 203.7896 40.13071 204.2717 40.97604 204.7538 41.45615 205.2360 41.04953 205.7181 39.57095 206.2002 38.90253 206.6823 39.18262 207.1644 40.09799 207.6465 41.17175 208.1287 42.47470 208.6108 43.66757 209.0929 44.64896 209.5750 45.45914 210.0571 45.81451 210.5392 45.51169 211.0214 44.95752 211.5035 45.08237 211.9856 46.14758 212.4677 47.18524 212.9498 47.73209 213.4319 47.66095 213.9140 47.61081 214.3962 47.51706 214.8783 47.49106 215.3604 47.81744 215.8425 48.59592 216.3246 49.50330 216.8067 50.47449 217.2889 51.63489 217.7710 52.35757 218.2531 52.60016 218.7352 52.40900 219.2173 51.72427 219.6994 49.95047 220.1816 48.79956 220.6637 49.25705 221.1458 52.20792 221.6279 54.23407 222.1100 55.23624 222.5921 55.32962 223.0743 54.72632 223.5564 53.14731 224.0385 51.38925 224.5206 49.83456 225.0027 48.47586 225.4848 47.28119 225.9670 46.21558 226.4491 45.34207 226.9312 44.88647 227.4133 45.21033 227.8954 45.36978 228.3775 44.85373 228.8597 43.20181 229.3418 42.01041 229.8239 41.65359 230.3060 41.65488 230.7881 40.63345 231.2702 37.90112 231.7524 35.13596 232.2345 33.09201 232.7166 31.83536 233.1987 31.10184 233.6808 31.24863 234.1629 31.82538 234.6451 31.45862 235.1272 29.84912 235.6093 28.05960 236.0914 26.58377 236.5735 25.68478 237.0556 24.45743 237.5378 22.44980 238.0199 20.24234 238.5020 19.52057 238.9841 21.57626 239.4662 23.21561 239.9483 22.91995 240.4305 19.56281 240.9126 16.86356 241.3947 14.57846 241.8768 13.01413 242.3589 13.16312 242.8410 16.29770 243.3232 19.17776 243.8053 20.32101 244.2874 18.83884 244.7695 17.73743 245.2516 17.01495 245.7337 16.66113 246.2159 16.70251 246.6980 17.37692 247.1801 18.07864 247.6622 18.59888 248.1443 18.94479 248.6264 19.05862 249.1086 18.71619 249.5907 18.25394 250.0728 18.39755 250.5549 19.41833 251.0370 20.58682 251.5191 21.64105 252.0013 22.54291 252.4834 23.55270 252.9655 25.05756 253.4476 26.41159 253.9297 26.14386 254.4118 22.98251 254.8940 20.77942 255.3761 21.12598 255.8582 24.80139 256.3403 27.65289 256.8224 29.44244 257.3046 30.42401 257.7867 30.83987 258.2688 30.47052 258.7509 30.70963 259.2330 31.99274 259.7151 34.52374 260.1973 36.01257 260.6794 36.21948 261.1615 35.95853 261.6436 36.30054 262.1257 37.24545 262.6078 38.48123 263.0900 40.01971 263.5721 41.95734 264.0542 43.53519 264.5363 44.81650 265.0184 45.73596 265.5005 46.07410 265.9827 45.48563 266.4648 45.32877 266.9469 46.14462 267.4290 47.95142 267.9111 49.20761 268.3932 49.62170 268.8754 49.92444 269.3575 51.09775 269.8396 53.53622 270.3217 55.41806 270.8038 56.18604 271.2859 55.90503 271.7681 55.55090 272.2502 54.83459 272.7323 54.64459 273.2144 56.30081 273.6965 60.30780 274.1786 63.41162 274.6608 64.66507 275.1429 64.37781 275.6250 64.81979 276.1071 66.17514 276.5892 67.73752 277.0714 68.95239 277.5535 69.84827 278.0356 70.13626 278.5177 69.44946 278.9998 68.19400 279.4819 68.22134 279.9641 69.78198 280.4462 71.58853 280.9283 72.56287 281.4104 72.67050 281.8925 72.95334 282.3746 73.66599 282.8568 74.58185 283.3389 75.05789 283.8210 75.06860 284.3031 74.82303 284.7852 74.37405 285.2673 73.73779 285.7495 73.21179 286.2316 72.91095 286.7137 72.60892 287.1958 71.78970 287.6779 70.43726 288.1600 68.93185 288.6422 67.53076 289.1243 66.18216 289.6064 64.60941 290.0885 62.70221 290.5706 60.72894 291.0527 59.32843 291.5349 58.44313 292.0170 57.17305 292.4991 54.72258 292.9812 51.44235 293.4633 48.64523 293.9454 46.38123 294.4276 44.60043 294.9097 43.57458 295.3918 43.13562 295.8739 42.41440 296.3560 40.78746 296.8381 38.59698 297.3203 36.75307 297.8024 35.32248 298.2845 33.85001 298.7666 31.42276 299.2487 28.49074 299.7308 26.37003 300.2130 26.52245 300.6951 27.47507 301.1772 26.59573 301.6593 23.90109 302.1414 20.94356 302.6235 19.25279 303.1057 18.29204 303.5878 17.00427 304.0699 14.62840 304.5520 12.06058 305.0341 10.26613 305.5162 9.218628 305.9984 8.637650 306.4805 8.762299 306.9626 9.124451 307.4447 9.077133 307.9268 8.397858 308.4089 7.304718 308.8911 5.709015 309.3732 3.759567 309.8553 2.076187 310.3374 1.341812 310.8195 0.9005430 311.3016 2.3375999E-02 311.7838 1.749725 312.2659 3.316010 312.7480 4.092453 313.2301 4.102463 313.7122 3.438675 314.1943 0.5137790 314.6765 2.038132 315.1586 1.840729 315.6407 2.400101 316.1228 5.965485 316.6049 5.774460 317.0870 3.523697 317.5692 2.009109 318.0513 3.244949 318.5334 4.623428 319.0155 4.832901 319.4976 3.640930 319.9797 2.232849 320.4619 0.6641690 320.9440 0.8005370 321.4261 1.849197 321.9082 2.158066 322.3903 2.290619 322.8724 2.332764 323.3546 2.288818 323.8367 2.392746 324.3188 2.539871 324.8009 2.939346 325.2830 3.748413 325.7651 5.734467 326.2473 7.315659 326.7294 8.178162 327.2115 8.391632 327.6936 8.500809 328.1757 8.178452 328.6578 8.024094 329.1400 8.342422 329.6221 9.672531 330.1042 10.75912 330.5863 11.98131 331.0684 12.96178 331.5505 12.42873 332.0327 8.057358 332.5148 4.897903 332.9969 5.350006 333.4790 11.48315 333.9611 15.41969 334.4432 16.30891 334.9254 15.48892 335.4075 15.19666 335.8896 15.63258 336.3717 16.19556 336.8538 16.60439 337.3359 16.76282 337.8180 17.66319 338.3001 19.68695 338.7823 21.91357 339.2644 23.17331 339.7465 23.23811 340.2286 23.33510 340.7107 23.79771 341.1928 24.60744 341.6750 25.16397 342.1571 25.22931 342.6392 25.49942 343.1213 27.05658 343.6034 29.91907 344.0855 31.61411 344.5677 31.41220 345.0498 30.22847 345.5319 30.27632 346.0140 31.56686 346.4961 32.94960 346.9782 33.79175 347.4604 34.17535 347.9425 34.33636 348.4246 34.28464 348.9067 34.17542 349.3888 34.08528 349.8709 33.96947 350.3531 33.89024 350.8352 33.83511 351.3173 34.01756 351.7994 34.91563 352.2815 36.55006 352.7636 38.20570 353.2458 39.55685 353.7279 40.48073 354.2100 40.64723 354.6921 39.05951 355.1742 37.21941 355.6563 36.75923 356.1385 37.57147 356.6206 38.78383 357.1027 40.19656 357.5848 41.49812 358.0669 42.34457 358.5490 42.62340 359.0312 42.45210 359.5133 41.43848 359.9954 39.93750 360.4775 39.03616 360.9596 39.89656 361.4417 41.11510 361.9239 41.71303 362.4060 41.36810 362.8881 40.89812 363.3702 40.57750 363.8523 40.32968 364.3344 40.03836 364.8166 39.58099 365.2987 39.15332 365.7808 38.86612 366.2629 38.74434 366.7450 38.57335 367.2271 38.22487 367.7093 37.83572 368.1914 37.54796 368.6735 37.65208 369.1556 37.53299 369.6377 36.89545 370.1198 35.82208 370.6020 35.00098 371.0841 34.59039 371.5662 34.42062 372.0483 34.57231 372.5304 35.36610 373.0125 35.53268 373.4947 34.61777 373.9768 32.91765 374.4589 31.26791 374.9410 29.59663 375.4231 28.48076 375.9052 28.16039 376.3874 28.81282 376.8695 28.79463 377.3516 27.99734 377.8337 26.97049 378.3158 26.40649 378.7979 26.34744 379.2801 26.26143 379.7622 25.92703 380.2443 25.43474 380.7264 25.36871 381.2085 25.82433 381.6906 26.00089 382.1728 24.93871 382.6549 22.85907 383.1370 21.19676 383.6191 20.19659 384.1012 19.68091 384.5833 19.54913 385.0655 19.74385 385.5476 19.83417 386.0297 19.68292 386.5118 19.23528 386.9939 18.25932 387.4760 16.67119 387.9582 15.05225 388.4403 13.79997 388.9224 12.91248 389.4045 12.38478 389.8866 13.07224 390.3687 13.50943 390.8509 12.12524 391.3330 9.074493 391.8151 6.063004 392.2972 3.957596 392.7793 2.470978 393.2614 1.326172 393.7436 0.4549410 394.2257 7.0694000E-02 394.7078 6.9889999E-03 395.1899 0.4845430 395.6720 0.8273320 396.1541 0.6969600 396.6363 0.5322720 397.1184 0.7197420 397.6005 1.724457 398.0826 1.739212 398.5647 0.6809840 399.0468 3.834015 399.5290 5.657104 400.0111 5.002823 400.4932 4.082306 400.9753 3.068939 401.4574 1.962509 401.9395 1.402908 402.4217 1.809479 402.9038 2.318420 403.3859 2.304092 403.8680 1.406036 404.3501 0.8422390 404.8322 0.7145840 405.3144 0.9669950 405.7965 1.628067 406.2786 2.979004 406.7607 3.817093 407.2428 3.251236 407.7249 1.205612 408.2071 0.4097290 408.6892 1.130981 409.1713 2.297104 409.6534 2.478485 410.1355 1.728470 410.6176 1.174759 411.0998 1.246780 411.5819 1.660263 412.0640 1.878906 412.5461 1.891342 413.0282 1.443237 413.5103 0.1609650 413.9925 2.300720 414.4746 3.666183 414.9567 3.941772 415.4388 3.705109 415.9209 3.344879 416.4030 2.932419 416.8852 2.634064 417.3673 2.417801 417.8494 2.431046 418.3315 2.822632 418.8136 3.598892 419.2957 4.598007 419.7779 5.988297 420.2600 7.443298 420.7421 8.614120 421.2242 9.446777 421.7063 9.949768 422.1884 9.736908 422.6706 9.106140 423.1527 9.171753 423.6348 11.13300 424.1169 13.09332 424.5990 14.18140 425.0811 13.98396 425.5633 13.68376 426.0454 12.99670 426.5275 12.37004 427.0096 12.42119 427.4917 13.83458 427.9738 14.87770 428.4560 15.04683 428.9381 14.39534 429.4202 14.15680 429.9023 14.43279 430.3844 14.92879 430.8665 15.47397 431.3487 16.08928 431.8308 16.61205 432.3129 16.99995 432.7950 17.31874 433.2771 17.68752 433.7592 18.10226 434.2414 18.56285 434.7235 19.26028 435.2056 20.02557 435.6877 20.06618 436.1698 19.33977 436.6519 18.41197 437.1341 17.59583 437.6162 17.01982 438.0983 17.08023 438.5804 18.23833 439.0625 19.57179 439.5446 20.17509 440.0268 20.08971 440.5089 19.46054 440.9910 17.60291 441.4731 15.69621 441.9552 15.00777 442.4373 15.95683 442.9195 16.61797 443.4016 15.64336 443.8837 13.95119 444.3658 12.65742 444.8479 12.46793 445.3300 12.34814 445.8122 11.71803 446.2943 10.70801 446.7764 10.44890 447.2585 12.27771 447.7406 13.99545 448.2227 14.42947 448.7049 12.63345 449.1870 11.34935 449.6691 10.63742 450.1512 10.41519 450.6333 10.67159 451.1154 11.81387 451.5976 12.53580 452.0797 12.41887 452.5618 11.54384 453.0439 10.53793 453.5260 9.194824 454.0081 8.361481 454.4903 9.089447 454.9724 11.35294 455.4545 12.91985 455.9366 13.34732 456.4187 13.25060 456.9008 13.69669 457.3830 14.66826 457.8651 15.62289 458.3472 16.15820 458.8293 16.52515 459.3114 17.03030 459.7935 17.65327 460.2757 18.76471 460.7578 21.34399 461.2399 24.43806 461.7220 26.60378 462.2041 26.81192 462.6862 27.07906 463.1684 29.11697 463.6505 32.20628 464.1326 34.65010 464.6147 34.88788 465.0968 35.16681 465.5789 36.87781 466.0611 40.28320 466.5432 43.12323 467.0253 44.24892 467.5074 44.99640 467.9895 46.48427 468.4716 49.38138 468.9538 52.22498 469.4359 54.86809 469.9180 57.37144 470.4001 59.89598 470.8822 62.30688 471.3643 65.04074 471.8465 68.28879 472.3286 72.11125 472.8107 75.95865 473.2928 79.92838 473.7749 83.60205 474.2570 86.02431 474.7392 87.21432 475.2213 89.52176 475.7034 93.82126 476.1855 99.08417 476.6676 103.0641 477.1497 105.9084 477.6319 108.8482 478.1140 112.9377 478.5961 117.5298 479.0782 121.5182 479.5603 124.8010 480.0424 127.8470 480.5246 130.8838 481.0067 133.9636 481.4888 137.1677 481.9709 140.6031 482.4530 144.1019 482.9352 147.7434 483.4173 151.4075 483.8994 154.7162 484.3815 157.6686 484.8636 160.1372 485.3457 161.8500 485.8279 162.4269 486.3100 163.6873 486.7921 166.4913 487.2742 169.6555 487.7563 172.1613 488.2384 173.6439 488.7206 175.0790 489.2027 176.4292 489.6848 177.8335 490.1669 179.8583 490.6490 182.6655 491.1311 185.5706 491.6133 188.3212 492.0954 190.9273 492.5775 193.0311 493.0596 194.5372 493.5417 195.9154 494.0238 197.6678 494.5060 199.7402 494.9881 201.9178 495.4702 204.2915 495.9523 206.4896 496.4344 207.6478 496.9165 208.0508 497.3987 208.7660 497.8808 210.9010 498.3629 213.3279 498.8450 214.7813 499.3271 215.1252 499.8092 215.6982 500.2914 217.0263 500.7735 219.0109 501.2556 221.6096 501.7377 226.1174 502.2198 229.6193 502.7019 230.8651 503.1841 230.6179 503.6662 230.9832 504.1483 232.7530 504.6304 234.4950 505.1125 235.7902 505.5946 236.6061 506.0768 237.5387 506.5589 238.9123 507.0410 239.9359 507.5231 239.7878 508.0052 238.2495 508.4873 236.9876 508.9695 236.2639 509.4516 235.8507 509.9337 235.3782 510.4158 234.8117 510.8979 234.0146 511.3800 232.8710 511.8622 231.4707 512.3443 229.9998 512.8264 228.4923 513.3085 226.8651 513.7906 225.1082 514.2728 223.0591 514.7549 220.4745 515.2370 217.1716 515.7191 213.9621 516.2012 211.6268 516.6833 209.5644 517.1655 206.8736 517.6476 202.9986 518.1297 198.8938 518.6118 194.5679 519.0939 190.0295 519.5760 185.9630 520.0582 183.0844 520.5403 180.2266 521.0224 176.9130 521.5045 172.8805 521.9866 169.1352 522.4688 165.7746 522.9509 162.5765 523.4330 159.2653 523.9151 155.8754 524.3972 152.2733 524.8793 148.3945 525.3615 144.4087 525.8436 140.6783 526.3257 137.1221 526.8078 133.4775 527.2899 129.6289 527.7720 125.5817 528.2542 121.0993 528.7363 116.1556 529.2184 111.7617 529.7005 109.5233 530.1826 108.1908 530.6647 105.9756 531.1469 101.7889 531.6290 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58.91368 796.7931 57.51816 797.2752 56.16661 797.7573 55.33978 798.2394 54.73203 798.7216 54.03413 799.2037 53.22525 799.6858 52.08003 800.1679 50.49579 800.6500 48.97937 801.1321 47.88220 801.6143 47.16193 802.0964 46.82227 802.5785 46.91626 803.0606 46.91203 803.5427 45.99374 804.0248 44.89613 804.5070 44.55281 804.9891 45.54987 805.4712 46.07910 805.9533 45.26004 806.4354 44.19768 806.9175 43.72560 807.3997 44.07362 807.8818 43.98787 808.3639 43.40221 808.8460 42.53711 809.3281 41.37708 809.8102 40.14102 810.2924 39.36804 810.7745 39.13054 811.2566 39.35577 811.7387 40.34322 812.2208 41.55255 812.7029 42.44531 813.1851 42.65962 813.6672 43.35548 814.1493 44.83759 814.6314 46.49675 815.1135 47.80228 815.5956 48.74280 816.0778 49.92326 816.5599 51.41483 817.0420 52.80203 817.5241 53.04630 818.0062 53.16788 818.4883 55.15382 818.9705 59.55057 819.4526 63.35706 819.9347 64.37720 820.4168 64.83749 820.8989 66.44043 821.3810 69.54294 821.8632 72.30582 822.3453 74.48303 822.8274 76.88600 823.3095 80.44681 823.7916 84.88072 824.2737 88.09064 824.7559 89.98015 825.2380 92.13605 825.7201 96.12361 826.2022 100.8221 826.6843 105.1035 827.1664 108.7931 827.6486 112.4689 828.1307 116.0658 828.6128 119.9064 829.0949 124.2115 829.5770 128.9646 830.0591 133.9116 830.5413 139.0290 831.0234 144.3554 831.5055 150.1412 831.9876 156.0612 832.4697 161.4574 832.9518 166.3012 833.4340 171.2484 833.9161 176.8023 834.3982 182.4113 834.8803 187.8116 835.3624 192.9685 835.8445 197.6491 836.3267 201.5601 836.8088 205.5522 837.2909 210.0958 837.7730 215.0555 838.2551 219.7164 838.7372 224.0735 839.2194 227.9847 839.7015 231.2201 840.1836 234.0765 840.6657 237.0321 841.1478 239.9827 841.6299 242.0948 842.1121 241.8458 842.5942 242.1329 843.0763 244.4417 843.5584 248.1632 844.0405 249.6584 844.5226 248.6394 845.0048 247.4030 845.4869 247.0480 845.9690 247.0071 846.4511 246.2710 846.9332 244.9137 847.4153 243.1921 847.8975 241.0830 848.3796 238.7857 848.8617 236.3476 849.3438 233.7835 849.8259 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