#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:49:15 +0300 (Thu, 24 May 2018) $ #$Revision: 799 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000293.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_1000293 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 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 R100184.rod _rod_data_source.block 3500000 _rod_database.code 1000293 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 150.8177 0.0000000E+00 151.2998 0.5313420 151.7819 1.523407 152.2640 6.119293 152.7462 12.35901 153.2283 19.79941 153.7104 28.69888 154.1925 37.80789 154.6746 46.66150 155.1567 55.47787 155.6389 62.98160 156.1210 68.58734 156.6031 72.68204 157.0852 76.39767 157.5673 80.24747 158.0495 83.47937 158.5316 85.76028 159.0137 86.82483 159.4958 87.15067 159.9779 86.30441 160.4600 84.67551 160.9422 83.56335 161.4243 83.58801 161.9064 84.13892 162.3885 84.77853 162.8706 84.97894 163.3527 85.74057 163.8349 87.60229 164.3170 90.43240 164.7991 93.63208 165.2812 96.67392 165.7633 100.0814 166.2454 104.3492 166.7276 110.0941 167.2097 116.2481 167.6918 122.2029 168.1739 127.9546 168.6560 134.1097 169.1381 141.7862 169.6203 149.6563 170.1024 153.1295 170.5845 152.5908 171.0666 151.6398 171.5487 151.7984 172.0309 152.9940 172.5130 154.4846 172.9951 156.6134 173.4772 158.5920 173.9593 159.1690 174.4414 157.1669 174.9236 153.9320 175.4057 150.7498 175.8878 147.5922 176.3699 144.6185 176.8520 142.2823 177.3341 140.2010 177.8163 137.5695 178.2984 134.2729 178.7805 130.1955 179.2626 125.1514 179.7447 119.4964 180.2268 113.8056 180.7090 108.5623 181.1911 103.9971 181.6732 99.91571 182.1553 96.66959 182.6374 93.42474 183.1195 88.67017 183.6017 82.51770 184.0838 76.50140 184.5659 71.76511 185.0480 67.78275 185.5301 64.22668 186.0123 61.11459 186.4944 58.51544 186.9765 56.47983 187.4586 54.18845 187.9407 51.89105 188.4228 49.45569 188.9050 46.43893 189.3871 43.96542 189.8692 42.53729 190.3513 41.65918 190.8334 40.07269 191.3155 37.48148 191.7977 34.37271 192.2798 31.71896 192.7619 29.61548 193.2440 27.57870 193.7261 25.06754 194.2082 22.20197 194.6904 20.46771 195.1725 20.26688 195.6546 20.58911 196.1367 19.44672 196.6188 16.74622 197.1009 13.86554 197.5831 11.39874 198.0652 9.322815 198.5473 7.810760 199.0294 6.949554 199.5115 6.528717 199.9937 6.213287 200.4758 6.036163 200.9579 5.742157 201.4400 5.046112 201.9221 3.884308 202.4042 3.252014 202.8864 3.412201 203.3685 3.916443 203.8506 3.600586 204.3327 2.269745 204.8148 0.9123230 205.2969 6.3568003E-02 205.7791 0.2265320 206.2612 0.3426510 206.7433 0.1977840 207.2254 2.4901999E-02 207.7075 0.1946720 208.1896 0.9828800 208.6718 1.980194 209.1539 2.665436 209.6360 2.912354 210.1181 3.466400 210.6002 4.531952 211.0823 5.848419 211.5645 6.684113 212.0466 6.990234 212.5287 6.931335 213.0108 6.530548 213.4929 5.679810 213.9750 4.860901 214.4572 3.989014 214.9393 3.208893 215.4214 2.989410 215.9035 3.542999 216.3856 4.233398 216.8678 4.808472 217.3499 5.435272 217.8320 5.394836 218.3141 4.365051 218.7962 2.745819 219.2783 1.796173 219.7605 1.695923 220.2426 1.972839 220.7247 2.429871 221.2068 3.149536 221.6889 3.879211 222.1710 4.856964 222.6532 5.777252 223.1353 5.459473 223.6174 2.984955 224.0995 0.7881470 224.5816 0.2617190 225.0637 2.347809 225.5459 3.637268 226.0280 3.700043 226.5101 2.970764 226.9922 2.843567 227.4743 3.780884 227.9564 4.589264 228.4386 4.628784 228.9207 3.470367 229.4028 2.610504 229.8849 2.209686 230.3670 2.090973 230.8492 1.734589 231.3313 1.063538 231.8134 0.2807920 232.2955 0.5426640 232.7776 1.398499 233.2597 2.291626 233.7419 3.224640 234.2240 4.206299 234.7061 5.204407 235.1882 6.115662 235.6703 7.207397 236.1524 8.684082 236.6346 10.93732 237.1167 12.65686 237.5988 13.69427 238.0809 14.26102 238.5630 14.77579 239.0451 14.82767 239.5273 15.43317 240.0094 17.19083 240.4915 20.93921 240.9736 23.55374 241.4557 24.30722 241.9378 24.25385 242.4200 25.69220 242.9021 29.60355 243.3842 33.50540 243.8663 36.42328 244.3484 37.96503 244.8306 39.67499 245.3127 41.50284 245.7948 43.51157 246.2769 45.83298 246.7590 48.56122 247.2411 51.39545 247.7233 54.18228 248.2054 56.79553 248.6875 59.88193 249.1696 63.55200 249.6517 67.59445 250.1338 71.61432 250.6160 75.42978 251.0981 79.58313 251.5802 84.29907 252.0623 89.77200 252.5444 94.94940 253.0265 99.67596 253.5087 104.2026 253.9908 108.7590 254.4729 113.3235 254.9550 118.0211 255.4371 122.8452 255.9192 127.7033 256.4014 133.1093 256.8835 139.2972 257.3656 145.8044 257.8477 152.3713 258.3298 159.3418 258.8120 165.5919 259.2941 170.5834 259.7762 174.2049 260.2583 178.9052 260.7404 185.2546 261.2225 192.0161 261.7047 197.9982 262.1868 202.9286 262.6689 207.7816 263.1510 212.8263 263.6331 218.0246 264.1152 223.1062 264.5974 228.2302 265.0795 232.9707 265.5616 236.6150 266.0437 238.8214 266.5258 241.1851 267.0079 244.2104 267.4901 247.7903 267.9722 250.5073 268.4543 252.4679 268.9364 253.3541 269.4185 252.9084 269.9006 251.0695 270.3828 248.3452 270.8649 244.6115 271.3470 240.0931 271.8291 235.8162 272.3112 231.9930 272.7933 227.6927 273.2755 222.1811 273.7576 215.2960 274.2397 207.9119 274.7218 200.1554 275.2039 191.9956 275.6860 183.3860 276.1682 174.2577 276.6503 164.9437 277.1324 155.4180 277.6145 145.6827 278.0966 136.3171 278.5787 127.5376 279.0609 118.9924 279.5430 109.4389 280.0251 98.64487 280.5072 88.54745 280.9893 80.56970 281.4715 74.88110 281.9536 68.92621 282.4357 62.40305 282.9178 55.54349 283.3999 48.85574 283.8820 42.37573 284.3642 36.56619 284.8463 31.51331 285.3284 27.14789 285.8105 23.76868 286.2926 21.52496 286.7747 19.92355 287.2569 18.20432 287.7390 16.35172 288.2211 14.68295 288.7032 13.07065 289.1853 11.74139 289.6674 11.69061 290.1496 12.99017 290.6317 15.07761 291.1138 17.44360 291.5959 20.09073 292.0780 22.97159 292.5602 26.04364 293.0423 29.38043 293.5244 33.05554 294.0065 37.04349 294.4886 41.71191 294.9707 47.55698 295.4529 54.45218 295.9350 61.76791 296.4171 69.30591 296.8992 77.31464 297.3813 86.31812 297.8634 96.21500 298.3456 106.3949 298.8277 116.2718 299.3098 126.0008 299.7919 135.7245 300.2740 145.0449 300.7561 155.0236 301.2383 166.7642 301.7204 180.2388 302.2025 194.5722 302.6846 209.9375 303.1667 225.6997 303.6488 241.0367 304.1310 255.3988 304.6131 270.2015 305.0952 287.0734 305.5773 305.4160 306.0594 323.5358 306.5415 341.3360 307.0237 358.1802 307.5058 373.4264 307.9879 386.7612 308.4700 399.5653 308.9521 413.7803 309.4343 428.1457 309.9164 440.7790 310.3985 451.1996 310.8806 459.4624 311.3627 465.8624 311.8448 470.4781 312.3270 472.3352 312.8091 469.8937 313.2912 464.6897 313.7733 458.5389 314.2554 452.9397 314.7375 445.8224 315.2197 435.8304 315.7018 423.0821 316.1839 409.3430 316.6660 394.8541 317.1481 379.9220 317.6302 364.9289 318.1124 349.1593 318.5945 334.2216 319.0766 320.4848 319.5587 307.9279 320.0408 296.2517 320.5229 285.6062 321.0051 275.6417 321.4872 266.0919 321.9693 256.7970 322.4514 248.3495 322.9335 240.9614 323.4156 234.4997 323.8978 228.7079 324.3799 223.2964 324.8620 218.7623 325.3441 215.3492 325.8262 213.3336 326.3083 211.7450 326.7905 210.4717 327.2726 209.5958 327.7547 209.2350 328.2368 209.2794 328.7189 209.9455 329.2010 211.2810 329.6832 213.2772 330.1653 215.9220 330.6474 219.7282 331.1295 223.8112 331.6116 227.3901 332.0938 229.2348 332.5759 232.6038 333.0580 238.4814 333.5401 246.4824 334.0222 253.2933 334.5043 258.4272 334.9865 263.1160 335.4686 268.0486 335.9507 273.1236 336.4328 278.8387 336.9149 285.6201 337.3970 292.9588 337.8792 299.2562 338.3613 304.2800 338.8434 309.0599 339.3255 314.1138 339.8076 319.5035 340.2898 324.7153 340.7719 330.0294 341.2540 334.8293 341.7361 338.3511 342.2182 340.5486 342.7003 341.3262 343.1825 340.5086 343.6646 338.1720 344.1467 335.2177 344.6288 331.7816 345.1109 327.3148 345.5930 320.7156 346.0752 312.0864 346.5573 302.6508 347.0394 292.6461 347.5215 282.1970 348.0036 271.1511 348.4857 259.5520 348.9679 247.4614 349.4500 234.5698 349.9321 220.9934 350.4142 207.1794 350.8963 193.0323 351.3784 178.9601 351.8606 165.5930 352.3427 153.0317 352.8248 141.1758 353.3069 129.8143 353.7890 119.1190 354.2711 109.3542 354.7533 100.7076 355.2354 92.63898 355.7175 84.83990 356.1996 77.33145 356.6817 70.18536 357.1638 63.10306 357.6460 56.65814 358.1281 51.24789 358.6102 46.86954 359.0923 43.13452 359.5744 40.34793 360.0565 37.91919 360.5387 35.26602 361.0208 32.01129 361.5029 28.76108 361.9850 25.62366 362.4671 22.68570 362.9492 20.26944 363.4314 18.74625 363.9135 17.58716 364.3956 16.48251 364.8777 15.26746 365.3598 14.39246 365.8419 14.42731 366.3241 14.75696 366.8062 14.45917 367.2883 12.25540 367.7704 10.52026 368.2526 10.26199 368.7347 11.95166 369.2168 12.42206 369.6989 10.35352 370.1810 7.837524 370.6631 6.583862 371.1453 7.431610 371.6274 8.323242 372.1095 9.257507 372.5916 10.12088 373.0737 10.04950 373.5558 8.340424 374.0380 6.731171 374.5201 6.303894 375.0022 7.600586 375.4843 8.255707 375.9664 7.957031 376.4485 7.188324 376.9307 6.792969 377.4128 6.733185 377.8949 7.257263 378.3770 8.769562 378.8591 11.18155 379.3412 12.66995 379.8234 13.06342 380.3055 13.10657 380.7876 13.72745 381.2697 14.87985 381.7518 15.64429 382.2339 15.52261 382.7161 15.06226 383.1982 15.75241 383.6803 17.55237 384.1624 19.29105 384.6445 20.08481 385.1266 20.14789 385.6088 19.94693 386.0909 19.49030 386.5730 18.98929 387.0551 18.88382 387.5372 18.98138 388.0193 18.71027 388.5015 17.68097 388.9836 16.18430 389.4657 14.35593 389.9478 12.18619 390.4299 10.24216 390.9120 9.197052 391.3942 8.505676 391.8763 7.515686 392.3584 5.497498 392.8405 3.605804 393.3226 2.656860 393.8047 2.428162 394.2869 1.898132 394.7690 0.2535100 395.2511 1.531311 395.7332 2.869812 396.2154 3.610535 396.6975 4.021851 397.1796 3.948120 397.6617 3.620758 398.1438 3.433899 398.6259 3.699646 399.1081 3.864227 399.5902 3.744049 400.0723 3.295380 400.5544 2.859863 401.0365 2.089722 401.5186 1.600586 402.0008 2.022430 402.4829 4.381927 402.9650 5.670227 403.4471 5.092743 403.9292 3.201660 404.4113 2.354187 404.8935 2.832947 405.3756 3.688660 405.8577 4.568115 406.3398 5.522247 406.8219 5.966904 407.3040 5.780685 407.7862 5.298676 408.2683 4.922134 408.7504 4.643021 409.2325 4.664795 409.7146 5.449890 410.1967 6.489487 410.6789 5.864777 411.1610 3.517212 411.6431 0.9557950 412.1252 0.3402860 412.6073 0.7951200 413.0894 1.578369 413.5716 2.893051 414.0537 4.641678 414.5358 6.841156 415.0179 9.394836 415.5000 12.05313 415.9821 14.53934 416.4643 17.10202 416.9464 20.13786 417.4285 23.69902 417.9106 27.07805 418.3927 29.33853 418.8748 31.31744 419.3570 33.97476 419.8391 38.30508 420.3212 42.74727 420.8033 46.60739 421.2854 50.01355 421.7675 53.63840 422.2497 57.83589 422.7318 62.20526 423.2139 66.57422 423.6960 71.15997 424.1781 75.22285 424.6602 78.15619 425.1424 80.65332 425.6245 83.72925 426.1066 88.36923 426.5887 92.28271 427.0709 94.58742 427.5530 95.28362 428.0351 97.16005 428.5172 100.9976 428.9993 104.9627 429.4814 107.7796 429.9636 109.3050 430.4457 110.1732 430.9278 110.3136 431.4099 109.9418 431.8920 109.4155 432.3741 108.6799 432.8563 108.1523 433.3384 108.2006 433.8205 108.6866 434.3026 108.7060 434.7847 108.2484 435.2668 107.4143 435.7490 106.3999 436.2311 105.1080 436.7132 103.1154 437.1953 99.85556 437.6774 96.48386 438.1595 94.67877 438.6417 94.15688 439.1238 93.74371 439.6059 92.54846 440.0880 91.19766 440.5701 90.38177 441.0522 90.21588 441.5344 90.28452 442.0165 90.37939 442.4986 90.53833 442.9807 90.80962 443.4628 91.13206 443.9449 91.64420 444.4271 92.32729 444.9092 93.21381 445.3913 94.49405 445.8734 96.58594 446.3555 98.77554 446.8376 100.6440 447.3198 101.6819 447.8019 103.3677 448.2840 106.0586 448.7661 109.2544 449.2482 112.2317 449.7303 114.5948 450.2125 117.3963 450.6946 121.0537 451.1767 125.4961 451.6588 129.2982 452.1409 132.1236 452.6230 135.1430 453.1052 139.3430 453.5873 144.9316 454.0694 149.5336 454.5515 152.6905 455.0337 155.4278 455.5158 159.3349 455.9979 164.3823 456.4800 169.7480 456.9621 175.1125 457.4442 180.6276 457.9264 186.7952 458.4085 193.5703 458.8906 200.5195 459.3727 206.8846 459.8548 213.1569 460.3369 220.0648 460.8191 228.1783 461.3012 236.5239 461.7833 244.0153 462.2654 251.1586 462.7475 259.0124 463.2296 269.0771 463.7118 279.2497 464.1939 288.0438 464.6760 295.4373 465.1581 303.5148 465.6402 313.1092 466.1223 323.4440 466.6045 333.8744 467.0866 344.4144 467.5687 354.7760 468.0508 365.1393 468.5329 375.4272 469.0150 385.5364 469.4972 395.5689 469.9793 405.0282 470.4614 413.5176 470.9435 420.9976 471.4256 428.8155 471.9077 437.4917 472.3899 445.4017 472.8720 450.9826 473.3541 454.1678 473.8362 456.6191 474.3183 458.7719 474.8004 460.0375 475.2826 459.3730 475.7647 456.7857 476.2468 452.3854 476.7289 445.9075 477.2110 437.6754 477.6931 428.5324 478.1753 418.4503 478.6574 407.2904 479.1395 394.6435 479.6216 380.9288 480.1037 366.7249 480.5858 352.0109 481.0680 337.0495 481.5501 321.4232 482.0322 305.6735 482.5143 291.0729 482.9964 279.5361 483.4786 268.0485 483.9607 254.7705 484.4428 239.5378 484.9249 225.1667 485.4070 212.7821 485.8892 201.2345 486.3713 189.7006 486.8534 177.2877 487.3355 166.3366 487.8176 157.3240 488.2997 149.6875 488.7819 141.9844 489.2640 133.8555 489.7461 126.4181 490.2282 120.2282 490.7103 115.1450 491.1924 109.6984 491.6746 103.7400 492.1567 97.86551 492.6388 92.57690 493.1209 87.80348 493.6030 83.68942 494.0851 80.30118 494.5673 77.22752 495.0494 74.00235 495.5315 70.62231 496.0136 67.21762 496.4957 63.50838 496.9778 59.98238 497.4600 57.15549 497.9421 54.99402 498.4242 53.00078 498.9063 51.17001 499.3884 49.18459 499.8705 46.61476 500.3527 43.02292 500.8348 39.80119 501.3169 37.80080 501.7990 36.43413 502.2811 34.85799 502.7632 32.66568 503.2454 30.56795 503.7275 28.77286 504.2096 27.25171 504.6917 25.50615 505.1738 23.27608 505.6559 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