#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:59:09 +0300 (Thu, 26 Apr 2018) $ #$Revision: 572 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000116.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_1000116 loop_ _publ_author_name 'Hofmeister, W.' 'Tillmanns, E.' _publ_section_title ; Strukturelle untersuchungen an arsenbrackebuschit ; _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_page_first 153 _journal_page_last 163 _journal_volume 25 _journal_year 1978 _chemical_compound_source R100184 _chemical_formula_sum 'As2 Fe0.65 H2.65 O9 Pb2 Zn0.35' _chemical_name_mineral Arsenbrackebuschite _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 112.5 _cell_angle_gamma 90 _cell_length_a 7.763 _cell_length_b 6.046 _cell_length_c 9.022 _cell_volume 391.215 _exptl_crystal_density_diffrn 6.537 _cod_original_formula_sum 'Pb2 (Fe.65 Zn.35) As2 O9 H2.65' _cod_database_code 9009598 _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 R100184.rod _rod_data_source.block 3500000 _rod_database.code 1000116 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 9009598 COD http://www.crystallography.net/cod/9009598.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 151.8342 0.0000000E+00 152.3164 0.7608640 152.7985 2.686279 153.2806 5.035217 153.7627 7.519531 154.2448 10.08679 154.7269 12.51105 155.2091 15.56555 155.6912 18.21698 156.1733 19.49109 156.6554 18.89026 157.1375 17.46112 157.6196 16.83319 158.1018 17.43597 158.5839 18.06689 159.0660 18.42310 159.5481 20.73010 160.0302 22.05920 160.5123 19.80542 160.9945 18.15942 161.4766 16.69171 161.9587 14.79364 162.4408 12.47125 162.9229 9.822510 163.4050 7.196411 163.8871 4.929443 164.3693 3.224731 164.8514 2.067993 165.3335 1.165771 165.8156 0.8998410 166.2977 0.3618160 166.7798 1.387756 167.2620 3.323730 167.7441 3.519470 168.2262 0.8145750 168.7083 3.375183 169.1904 4.845459 169.6725 2.261230 170.1547 3.8451999E-02 170.6368 1.0132000E-02 171.1189 1.813843 171.6010 4.264038 172.0831 7.033936 172.5652 9.933105 173.0474 12.59558 173.5295 14.91132 174.0116 17.14282 174.4937 19.49438 174.9758 21.97009 175.4579 24.40271 175.9401 26.78131 176.4222 29.04858 176.9043 31.14917 177.3864 33.10217 177.8685 34.83667 178.3506 36.12421 178.8328 36.74481 179.3149 37.73291 179.7970 39.55389 180.2791 41.83075 180.7612 44.22406 181.2433 46.59363 181.7255 49.18274 182.2076 52.70300 182.6897 58.14496 183.1718 62.63129 183.6539 64.90704 184.1360 66.36157 184.6181 68.33014 185.1003 71.45154 185.5824 75.54340 186.0645 79.97052 186.5466 85.46277 187.0287 90.45709 187.5108 94.15942 187.9930 97.38562 188.4751 101.2043 188.9572 106.5861 189.4393 112.6658 189.9214 119.2169 190.4035 127.4503 190.8857 135.0984 191.3678 141.1619 191.8499 145.7508 192.3320 149.6932 192.8141 153.7258 193.2962 157.5761 193.7784 160.8127 194.2605 164.5655 194.7426 167.8251 195.2247 170.0234 195.7068 171.3928 196.1889 172.6039 196.6711 174.2086 197.1532 175.8677 197.6353 176.1512 198.1174 173.9590 198.5995 171.5446 199.0816 170.3442 199.5638 170.1548 200.0459 169.6302 200.5280 167.9169 201.0101 165.2401 201.4922 162.5853 201.9743 160.1100 202.4565 157.5237 202.9386 154.5144 203.4207 151.0670 203.9028 147.6067 204.3849 144.6673 204.8670 141.7474 205.3492 138.0868 205.8313 133.2458 206.3134 128.0145 206.7955 123.3945 207.2776 119.4813 207.7597 115.7431 208.2419 112.4257 208.7240 108.9668 209.2061 104.6548 209.6882 99.66168 210.1703 94.15582 210.6524 89.55408 211.1346 86.15460 211.6167 82.99683 212.0988 79.78131 212.5809 76.63544 213.0630 73.74335 213.5451 71.25061 214.0273 68.84399 214.5094 65.75934 214.9915 61.46063 215.4736 57.44617 215.9557 54.35803 216.4378 51.49329 216.9200 47.98755 217.4021 43.44757 217.8842 38.38892 218.3663 34.36871 218.8484 32.41351 219.3305 30.08472 219.8127 26.70441 220.2948 22.98590 220.7769 19.57257 221.2590 16.75885 221.7411 14.56335 222.2232 13.09222 222.7054 14.10968 223.1875 13.69672 223.6696 10.70007 224.1517 6.498352 224.6338 2.429260 225.1159 0.9097290 225.5980 3.410522 226.0802 4.859924 226.5623 4.209595 227.0444 3.920776 227.5265 4.421570 228.0086 5.395142 228.4907 6.429260 228.9729 7.340210 229.4550 8.045227 229.9371 8.236755 230.4192 7.753845 230.9013 7.071594 231.3834 5.886353 231.8656 4.629822 232.3477 4.064026 232.8298 4.557129 233.3119 5.554871 233.7940 5.937744 234.2761 5.965942 234.7583 5.045288 235.2404 2.158630 235.7225 1.647644 236.2046 4.449829 236.6867 5.464844 237.1688 5.652100 237.6510 6.857605 238.1331 9.320618 238.6152 11.20245 239.0973 10.96210 239.5794 9.755920 240.0615 10.24249 240.5437 13.51587 241.0258 17.90027 241.5079 21.25415 241.9900 23.63666 242.4721 25.75574 242.9542 27.90143 243.4364 30.00256 243.9185 31.71063 244.4006 32.58643 244.8827 33.78027 245.3648 36.65967 245.8469 41.00305 246.3290 45.34058 246.8112 49.03003 247.2933 52.15601 247.7754 54.91058 248.2575 56.91162 248.7396 59.23682 249.2217 63.05200 249.7039 67.93365 250.1860 72.41620 250.6681 75.45575 251.1502 77.41370 251.6323 79.63794 252.1144 82.09808 252.5966 84.99274 253.0787 88.77710 253.5608 93.03290 254.0429 96.81799 254.5250 99.04108 255.0071 100.3326 255.4893 103.3973 255.9714 109.5670 256.4535 115.3841 256.9356 119.3323 257.4177 121.9593 257.8998 124.1247 258.3820 126.1643 258.8641 128.1257 259.3462 130.1107 259.8283 131.7829 260.3104 134.1002 260.7925 137.9813 261.2747 142.4244 261.7568 146.0292 262.2389 148.0013 262.7210 148.9282 263.2031 150.6437 263.6852 154.0248 264.1674 156.6612 264.6495 157.6581 265.1316 157.8862 265.6137 158.2917 266.0958 159.2971 266.5779 160.5552 267.0601 161.2499 267.5422 161.2405 268.0243 160.8433 268.5064 160.3784 268.9885 159.4968 269.4706 157.8002 269.9528 155.1636 270.4349 151.9351 270.9170 148.7885 271.3991 146.0049 271.8812 142.7560 272.3633 138.9941 272.8455 134.8430 273.3276 130.3704 273.8097 125.5993 274.2918 120.6036 274.7739 115.4313 275.2560 109.7761 275.7382 104.6166 276.2202 100.1003 276.7024 95.84161 277.1845 91.57922 277.6666 87.26855 278.1487 83.03687 278.6308 79.02643 279.1129 75.26294 279.5951 71.63812 280.0772 67.67499 280.5593 64.21301 281.0414 62.00769 281.5235 60.82910 282.0056 59.66357 282.4878 57.44153 282.9699 53.75714 283.4520 51.15472 283.9341 50.08594 284.4162 49.68927 284.8983 49.25061 285.3805 49.03925 285.8626 50.06378 286.3447 53.32483 286.8268 58.76001 287.3089 62.69891 287.7910 63.77325 288.2732 65.05554 288.7553 67.01788 289.2374 69.87646 289.7195 73.85406 290.2016 79.07501 290.6837 85.31268 291.1659 91.85968 291.6480 99.26300 292.1301 106.3866 292.6122 112.8984 293.0943 119.2446 293.5764 125.7275 294.0586 132.4374 294.5407 139.4178 295.0228 146.8411 295.5049 155.0754 295.9870 163.3593 296.4691 171.5413 296.9513 179.8018 297.4334 188.2438 297.9155 196.8831 298.3976 205.9606 298.8797 215.9337 299.3618 227.9031 299.8440 238.6621 300.3261 246.7538 300.8082 254.4949 301.2903 264.1053 301.7724 275.8405 302.2545 288.1327 302.7367 299.1639 303.2188 308.3948 303.7009 318.2637 304.1830 329.1749 304.6651 340.3572 305.1472 351.4674 305.6294 362.4272 306.1115 373.2443 306.5936 383.9788 307.0757 394.6940 307.5578 404.3848 308.0399 413.2955 308.5221 421.1827 309.0042 427.6318 309.4863 432.9365 309.9684 438.0170 310.4505 443.7125 310.9326 449.4865 311.4148 451.1501 311.8969 446.6155 312.3790 441.1265 312.8611 435.7632 313.3432 430.2892 313.8253 424.3168 314.3075 417.7443 314.7896 410.4073 315.2717 401.6296 315.7538 390.3219 316.2359 378.8043 316.7180 366.8147 317.2001 355.0349 317.6823 344.4317 318.1644 335.2252 318.6465 326.5531 319.1286 316.9703 319.6107 305.6110 320.0928 295.7764 320.5750 287.5947 321.0571 280.4783 321.5392 274.1972 322.0213 268.8004 322.5034 264.2432 322.9855 260.5661 323.4677 257.8560 323.9498 254.4748 324.4319 249.2569 324.9140 244.5390 325.3961 241.5717 325.8782 240.1226 326.3604 239.2732 326.8425 238.4664 327.3246 237.6980 327.8067 236.7734 328.2888 234.9890 328.7709 233.9138 329.2531 234.1595 329.7352 235.3551 330.2173 237.0287 330.6994 238.9678 331.1815 240.9027 331.6636 242.2101 332.1458 242.3373 332.6279 242.6574 333.1100 243.1274 333.5921 243.7836 334.0742 244.5886 334.5563 245.5933 335.0385 247.0782 335.5206 249.4383 336.0027 253.1099 336.4848 256.2386 336.9669 259.0746 337.4490 261.4203 337.9312 263.1889 338.4133 264.2327 338.8954 264.2335 339.3775 262.8328 339.8596 259.9536 340.3417 258.0097 340.8239 258.1599 341.3060 257.9204 341.7881 256.6654 342.2702 254.3298 342.7523 250.9408 343.2344 246.5135 343.7166 241.1143 344.1987 235.1063 344.6808 227.8520 345.1629 220.6465 345.6450 214.4497 346.1271 208.0650 346.6093 199.7798 347.0914 189.1090 347.5735 177.3959 348.0556 167.5798 348.5377 161.9185 349.0198 153.9142 349.5020 141.9376 349.9841 129.1770 350.4662 117.7603 350.9483 107.9935 351.4304 98.95789 351.9125 89.69501 352.3947 80.06317 352.8768 71.28217 353.3589 63.26501 353.8410 56.18622 354.3231 50.49969 354.8052 45.82172 355.2874 41.31659 355.7695 36.38196 356.2516 31.24188 356.7337 27.10010 357.2158 24.89417 357.6979 22.45758 358.1800 19.00555 358.6621 15.29559 359.1443 12.23322 359.6264 10.14423 360.1085 8.609436 360.5906 6.755493 361.0727 4.165527 361.5548 2.382935 362.0370 2.018250 362.5191 2.107239 363.0012 2.179749 363.4833 2.134521 363.9654 2.026062 364.4475 1.774597 364.9297 1.336548 365.4118 1.532043 365.8939 3.501709 366.3760 4.822998 366.8581 3.974670 367.3402 1.801025 367.8224 8.4656000E-02 368.3045 9.1549996E-03 368.7866 1.001038 369.2687 1.328003 369.7508 0.6645510 370.2329 4.8950002E-02 370.7151 7.4340999E-02 371.1972 0.2050170 371.6793 0.2919920 372.1614 1.712219 372.6435 3.042358 373.1256 2.705261 373.6078 0.5350950 374.0899 0.9349980 374.5720 0.8643800 375.0541 0.1514280 375.5362 0.6227420 376.0183 1.429260 376.5005 2.259644 376.9826 3.487976 377.4647 4.798950 377.9468 4.778137 378.4289 2.658691 378.9110 0.7351070 379.3932 0.9774780 379.8753 2.474243 380.3574 3.534485 380.8395 3.494446 381.3216 2.920593 381.8037 2.454346 382.2859 2.098938 382.7680 1.687683 383.2501 1.075073 383.7322 0.4117430 384.2143 9.8693997E-02 384.6964 0.4755860 385.1786 0.6356200 385.6607 0.4204100 386.1428 4.2479999E-02 386.6249 0.4665530 387.1070 0.8234250 387.5891 0.9993290 388.0713 0.6213990 388.5534 0.2485350 389.0355 0.5760500 389.5176 0.2783810 389.9997 1.501038 390.4818 2.252502 390.9640 2.513855 391.4461 2.803192 391.9282 3.594055 392.4103 4.683472 392.8924 5.042297 393.3745 3.945892 393.8567 2.985626 394.3388 3.227356 394.8209 3.999359 395.3030 3.976318 395.7851 2.653595 396.2672 0.4328920 396.7494 2.128326 397.2315 5.612915 397.7136 7.931244 398.1957 7.958313 398.6778 7.486298 399.1599 7.912445 399.6420 9.393982 400.1241 11.44235 400.6063 13.68463 401.0884 16.13806 401.5705 18.39407 402.0526 20.27917 402.5347 22.19742 403.0168 24.37598 403.4990 26.65607 403.9811 28.70551 404.4632 30.35574 404.9453 31.85120 405.4274 33.77679 405.9095 36.28049 406.3917 39.00745 406.8738 42.35349 407.3559 45.59558 407.8380 47.89420 408.3201 49.36646 408.8022 51.11697 409.2844 54.33215 409.7665 59.08865 410.2486 63.96057 410.7307 69.88943 411.2128 74.82532 411.6949 77.39420 412.1771 78.72940 412.6592 80.55411 413.1413 83.66547 413.6234 87.89398 414.1055 93.21216 414.5876 100.3412 415.0698 106.4124 415.5519 109.3724 416.0340 111.9443 416.5161 116.1805 416.9982 122.2694 417.4803 128.4941 417.9625 133.3298 418.4446 136.9756 418.9267 140.8591 419.4088 144.9179 419.8909 149.4962 420.3730 155.2364 420.8552 161.5757 421.3373 167.2832 421.8194 171.6353 422.3015 175.4987 422.7836 180.0411 423.2657 185.2409 423.7479 190.0032 424.2300 193.7949 424.7121 196.9706 425.1942 200.2315 425.6763 203.6697 426.1584 206.7127 426.6406 208.6891 427.1227 210.2392 427.6048 212.5818 428.0869 215.9838 428.5690 219.4811 429.0511 222.2818 429.5333 224.3178 430.0154 225.8113 430.4975 227.3481 430.9796 227.8495 431.4617 226.0295 431.9438 222.6216 432.4260 219.6985 432.9081 218.2898 433.3902 217.7808 433.8723 216.7932 434.3544 215.1211 434.8365 213.2342 435.3187 211.2101 435.8008 208.9960 436.2829 206.5908 436.7650 203.9771 437.2471 201.1591 437.7292 198.1760 438.2114 195.0339 438.6935 191.8221 439.1756 187.7257 439.6577 184.5359 440.1398 183.3401 440.6219 183.0916 441.1040 182.3218 441.5862 180.4194 442.0683 178.1212 442.5504 176.8951 443.0325 177.1842 443.5146 177.1195 443.9967 176.2465 444.4789 175.2141 444.9610 174.1083 445.4431 173.1140 445.9252 172.6694 446.4073 173.2202 446.8894 174.5353 447.3716 175.9167 447.8537 177.5374 448.3358 178.7080 448.8179 178.5552 449.3000 178.1346 449.7821 178.6656 450.2643 180.5196 450.7464 182.3875 451.2285 182.6339 451.7106 181.7328 452.1927 182.4497 452.6748 185.8031 453.1570 189.8684 453.6391 192.6959 454.1212 194.7128 454.6033 197.2379 455.0854 200.5221 455.5675 204.0616 456.0497 207.4570 456.5318 210.8077 457.0139 214.5809 457.4960 219.1376 457.9781 224.0852 458.4602 228.3362 458.9424 231.5300 459.4245 234.7717 459.9066 238.2482 460.3887 241.9980 460.8708 246.0452 461.3529 250.3599 461.8351 254.8320 462.3172 259.4090 462.7993 264.0830 463.2814 268.5104 463.7635 272.5218 464.2456 276.5214 464.7278 280.5905 465.2099 284.6997 465.6920 288.7942 466.1741 292.8712 466.6562 296.9310 467.1383 301.0718 467.6205 305.5755 468.1026 309.3781 468.5847 312.4041 469.0668 314.7377 469.5489 316.1532 470.0310 316.8649 470.5132 317.4007 470.9953 318.1778 471.4774 318.9248 471.9595 319.0124 472.4416 318.4991 472.9237 317.1331 473.4059 314.7787 473.8880 311.4987 474.3701 307.2968 474.8522 302.1977 475.3343 296.2428 475.8164 289.2599 476.2986 281.4958 476.7807 273.5093 477.2628 265.4493 477.7449 256.8598 478.2270 247.0638 478.7091 236.3882 479.1913 226.4009 479.6734 217.7718 480.1555 209.2012 480.6376 200.0382 481.1197 190.4520 481.6018 180.6203 482.0839 170.5649 482.5660 160.7249 483.0482 151.6909 483.5303 143.7584 484.0124 135.7406 484.4945 127.5664 484.9766 119.4016 485.4587 110.9335 485.9409 102.5129 486.4230 94.94098 486.9051 88.65021 487.3872 83.35614 487.8693 78.33896 488.3514 73.69458 488.8336 69.07275 489.3157 64.15823 489.7978 59.48792 490.2799 55.38782 490.7620 51.89462 491.2441 48.97598 491.7263 46.81070 492.2084 45.20224 492.6905 43.12601 493.1726 40.33014 493.6547 37.69461 494.1368 35.89920 494.6190 34.31531 495.1011 32.26758 495.5832 29.60339 496.0653 26.80066 496.5474 23.96579 497.0295 21.28674 497.5117 19.50916 497.9938 18.90530 498.4759 18.50870 498.9580 17.57727 499.4401 16.15573 499.9222 14.59790 500.4044 12.63711 500.8865 10.83234 501.3686 9.556244 501.8507 8.621033 502.3328 7.574127 502.8149 6.260834 503.2971 4.940460 503.7792 3.996002 504.2613 3.531860 504.7434 3.057617 505.2255 2.856659 505.7076 2.376038 506.1898 1.050751 506.6719 0.7247010 507.1540 2.179108 507.6361 2.915192 508.1182 3.056946 508.6003 2.816772 509.0825 2.006653 509.5646 1.319672 510.0467 0.3997190 510.5288 2.0050000E-02 511.0109 0.9460140 511.4930 2.891205 511.9752 4.346619 512.4573 4.154266 512.9394 3.016235 513.4215 2.593872 513.9036 3.006073 514.3857 3.409302 514.8679 3.681854 515.3500 3.621124 515.8321 2.821564 516.3142 1.157593 516.7963 0.1304930 517.2784 0.1287230 517.7606 0.3809200 518.2427 0.2207340 518.7248 0.6779170 519.2069 1.550476 519.6890 1.934113 520.1711 1.876801 520.6533 1.568542 521.1354 0.4127810 521.6175 0.1823430 522.0996 5.8318999E-02 522.5817 0.9279790 523.0638 2.604187 523.5460 4.906738 524.0281 6.888489 524.5102 7.532501 524.9923 6.857635 525.4744 6.722290 525.9565 7.520844 526.4387 8.434143 526.9208 9.161865 527.4029 9.985992 527.8850 11.40497 528.3671 13.49896 528.8492 15.44736 529.3314 16.06805 529.8135 15.51086 530.2956 15.78946 530.7777 17.43735 531.2598 19.10873 531.7419 19.93494 532.2241 20.23312 532.7062 20.40506 533.1883 20.30811 533.6704 20.52261 534.1525 21.58026 534.6346 23.22800 535.1168 24.99826 535.5989 26.82300 536.0810 28.38571 536.5631 29.25955 537.0452 29.39395 537.5273 29.93866 538.0095 31.61307 538.4916 32.86316 538.9737 32.52914 539.4558 31.60651 539.9379 31.63828 540.4200 33.10150 540.9022 35.24814 541.3843 37.17157 541.8664 38.98154 542.3485 39.92630 542.8306 38.89722 543.3127 38.19403 543.7948 38.77469 544.2769 40.07886 544.7590 41.26135 545.2411 42.01764 545.7233 42.49078 546.2054 42.84756 546.6875 43.08740 547.1696 43.12274 547.6517 42.74261 548.1339 42.52896 548.6160 43.07788 549.0981 44.19202 549.5802 45.40207 550.0623 47.07343 550.5444 48.33237 551.0266 48.20389 551.5087 47.27206 551.9908 47.10019 552.4729 48.20294 552.9550 49.28223 553.4371 48.60599 553.9193 45.73630 554.4014 43.73740 554.8835 43.11935 555.3656 42.67603 555.8477 41.76962 556.3298 40.81818 556.8120 40.64185 557.2941 41.50092 557.7762 42.61743 558.2583 42.90784 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