#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:00:39 +0300 (Thu, 24 May 2018) $ #$Revision: 864 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000348.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_1000348 loop_ _publ_author_name 'Keller, P.' 'Lissner, F.' 'Schleid, T.' _publ_section_title ; The crystal structure of arsendescloizite, PbZn(OH)[AsO4], from Tsumeb (Namibia) Locality: Tsumeb, Namibia ; _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_page_first 374 _journal_page_last 384 _journal_volume 2003 _journal_year 2003 _chemical_compound_source R140430 _chemical_formula_sum 'As H O5 Pb Zn' _chemical_name_mineral Arsendescloizite _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.646 _cell_length_b 9.363 _cell_length_c 6.077 _cell_volume 435.049 _exptl_crystal_density_diffrn 6.542 _cod_original_formula_sum 'Pb Zn As O5 H' _cod_database_code 9009424 _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 R140430.rod _rod_data_source.block 3500000 _rod_database.code 1000348 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 9009424 COD http://www.crystallography.net/cod/9009424.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 89.78320 0.0000000E+00 90.26532 10.20538 90.74744 1.094696 91.22955 1.760559 91.71167 11.10556 92.19379 18.58954 92.67590 24.43604 93.15802 29.32996 93.64014 32.80170 94.12225 35.52347 94.60437 39.42029 95.08649 45.59033 95.56860 52.57306 96.05072 57.12512 96.53284 59.40710 97.01495 62.22577 97.49707 68.06476 97.97919 76.80847 98.46130 87.30444 98.94342 98.84021 99.42554 111.5269 99.90765 127.2766 100.3898 146.2667 100.8719 167.7870 101.3540 191.3710 101.8361 217.7836 102.3182 243.8848 102.8004 269.0749 103.2825 293.4194 103.7646 316.4257 104.2467 339.4055 104.7288 360.5960 105.2109 375.3917 105.6931 382.5520 106.1752 386.2600 106.6573 388.3138 107.1394 388.5355 107.6215 387.5983 108.1036 385.2816 108.5858 381.8332 109.0679 378.3438 109.5500 373.5239 110.0321 369.5855 110.5142 367.7244 110.9963 368.3715 111.4785 370.4918 111.9606 374.8696 112.4427 381.3741 112.9248 386.5093 113.4069 387.5208 113.8890 388.1229 114.3712 391.3098 114.8533 398.2443 115.3354 407.2394 115.8175 418.3738 116.2996 431.9637 116.7817 445.1602 117.2639 459.2673 117.7460 472.0137 118.2281 480.4984 118.7102 484.6485 119.1923 483.6308 119.6744 476.3708 120.1566 462.3325 120.6387 444.7419 121.1208 424.0568 121.6029 401.4261 122.0850 379.4417 122.5671 357.4407 123.0493 334.9089 123.5314 313.2777 124.0135 293.0015 124.4956 273.1206 124.9777 253.2248 125.4598 233.3467 125.9420 213.3505 126.4241 192.3336 126.9062 171.1985 127.3883 151.5736 127.8704 133.7615 128.3525 117.6363 128.8347 102.9551 129.3168 89.67572 129.7989 78.16309 130.2810 69.06592 130.7631 62.06073 131.2452 55.44666 131.7274 48.80573 132.2095 42.29410 132.6916 36.26352 133.1737 30.65436 133.6558 25.69119 134.1379 21.55646 134.6201 18.24524 135.1022 15.20459 135.5843 12.25256 136.0664 9.434845 136.5485 7.216675 137.0306 5.583496 137.5128 4.660034 137.9949 4.588531 138.4770 5.241211 138.9591 5.961853 139.4412 6.683899 139.9233 7.454834 140.4055 7.364594 140.8876 6.111328 141.3697 4.344818 141.8518 3.037292 142.3339 2.151886 142.8160 1.806152 143.2982 2.161957 143.7803 3.532684 144.2624 4.575531 144.7445 5.043793 145.2266 5.255829 145.7087 6.017517 146.1909 7.917206 146.6730 9.622620 147.1551 10.66171 147.6372 10.89099 148.1193 10.01987 148.6014 7.489197 149.0836 4.046082 149.5657 1.260773 150.0478 0.5303340 150.5299 1.877502 151.0120 3.031952 151.4941 3.698486 151.9763 4.516327 152.4584 5.566315 152.9405 6.815247 153.4226 8.105225 153.9047 10.45618 154.3868 12.18625 154.8690 12.38086 155.3511 9.094269 155.8332 6.236877 156.3153 4.539063 156.7974 3.896179 157.2795 3.413147 157.7617 3.139740 158.2438 2.822937 158.7259 2.278748 159.2080 1.117706 159.6901 4.5563001E-02 160.1722 0.5473330 160.6544 0.7023010 161.1365 1.229187 161.6186 3.240021 162.1007 5.409668 162.5828 6.541992 163.0649 5.051239 163.5471 3.419495 164.0292 2.747070 164.5113 3.071045 164.9934 3.813629 165.4755 4.871887 165.9576 6.132507 166.4398 7.449982 166.9219 9.019196 167.4040 10.45245 167.8861 11.24036 168.3682 11.30487 168.8503 11.76807 169.3325 13.63022 169.8146 16.34726 170.2967 19.01620 170.7788 21.24759 171.2609 23.28421 171.7430 25.25562 172.2252 27.15796 172.7073 29.20004 173.1894 31.90808 173.6715 34.92294 174.1536 37.37631 174.6357 38.56323 175.1179 39.12012 175.6000 39.87650 176.0821 40.96423 176.5642 41.87610 177.0463 42.32977 177.5284 42.24573 178.0106 41.39307 178.4927 39.39127 178.9748 36.59879 179.4569 33.60275 179.9390 30.38986 180.4211 27.16022 180.9033 24.00101 181.3854 20.94461 181.8675 18.20578 182.3496 15.73492 182.8317 13.65894 183.3138 12.21097 183.7960 11.60876 184.2781 11.37927 184.7602 10.54605 185.2423 9.179230 185.7244 8.386383 186.2065 9.301056 186.6887 11.55246 187.1708 13.56683 187.6529 15.07327 188.1350 16.41913 188.6171 18.14233 189.0992 20.25146 189.5814 22.72617 190.0635 25.58228 190.5456 28.78107 191.0277 32.18378 191.5098 35.92798 191.9919 39.59048 192.4741 42.00613 192.9562 43.12988 193.4383 44.46393 193.9204 47.15710 194.4025 51.11429 194.8846 54.89090 195.3668 58.18631 195.8489 61.32928 196.3310 65.29315 196.8131 70.20572 197.2952 75.14362 197.7773 79.20908 198.2595 82.30280 198.7416 86.14594 199.2237 91.03412 199.7058 96.65317 200.1879 102.0245 200.6700 107.0732 201.1522 112.7215 201.6343 119.8362 202.1164 128.5677 202.5985 136.8752 203.0806 144.2737 203.5627 151.1745 204.0449 158.7603 204.5270 167.0783 205.0091 175.7699 205.4912 184.5576 205.9733 193.3912 206.4554 203.0981 206.9376 213.7942 207.4197 225.2972 207.9018 237.7848 208.3839 251.8304 208.8660 265.4819 209.3481 277.2142 209.8303 286.8210 210.3124 295.8617 210.7945 305.0835 211.2766 313.7231 211.7587 318.9334 212.2408 320.5089 212.7230 319.2984 213.2051 315.7539 213.6872 309.3912 214.1693 302.0899 214.6514 294.0862 215.1335 285.2068 215.6157 274.8514 216.0978 262.1466 216.5799 249.3974 217.0620 238.0765 217.5441 228.5966 218.0262 219.1497 218.5084 209.2460 218.9905 199.0941 219.4726 190.2663 219.9547 182.9009 220.4368 176.3902 220.9189 170.5422 221.4011 165.6096 221.8832 160.5327 222.3653 154.9433 222.8474 149.1442 223.3295 144.2948 223.8116 140.8591 224.2938 137.8062 224.7759 134.5630 225.2580 131.1232 225.7401 127.5439 226.2222 123.7335 226.7043 119.7791 227.1865 115.8869 227.6686 112.1526 228.1507 108.4365 228.6328 104.7552 229.1149 101.3316 229.5970 97.39899 230.0792 92.67340 230.5613 87.40967 231.0434 82.76160 231.5255 78.98752 232.0076 75.53934 232.4897 72.25607 232.9719 69.46335 233.4540 66.11334 233.9361 61.95810 234.4182 57.22107 234.9003 52.57877 235.3824 47.88831 235.8646 43.49539 236.3467 39.59189 236.8288 36.33847 237.3109 33.21042 237.7930 30.22812 238.2751 27.33749 238.7573 24.40918 239.2394 21.13843 239.7215 18.24924 240.2036 16.20151 240.6857 15.83298 241.1678 14.23758 241.6500 10.53040 242.1321 5.850372 242.6142 3.206116 243.0963 3.913116 243.5784 4.698517 244.0605 4.164246 244.5427 1.695007 245.0248 0.4148250 245.5069 2.044739 245.9890 3.385864 246.4711 4.863678 246.9532 6.691254 247.4354 8.307892 247.9175 9.489777 248.3996 10.17505 248.8817 10.60043 249.3638 10.60181 249.8459 10.43933 250.3281 10.62509 250.8102 11.36676 251.2923 12.08246 251.7744 12.57269 252.2565 12.80557 252.7386 12.93188 253.2208 12.85056 253.7029 12.73572 254.1850 12.91888 254.6671 13.73395 255.1492 14.19849 255.6313 13.97537 256.1135 12.99191 256.5956 11.83475 257.0777 10.31335 257.5598 8.841156 258.0419 8.062225 258.5240 8.348145 259.0062 8.541412 259.4883 8.287720 259.9704 7.579834 260.4525 6.950104 260.9346 6.504486 261.4167 6.028473 261.8989 5.162323 262.3810 3.601318 262.8631 2.521484 263.3452 2.422791 263.8273 3.273468 264.3094 3.395660 264.7916 2.582489 265.2737 1.331055 265.7558 3.6773998E-02 266.2379 1.322235 266.7200 2.628418 267.2021 3.940826 267.6843 5.218384 268.1664 6.034302 268.6485 6.089508 269.1306 6.287964 269.6127 7.430359 270.0948 9.667419 270.5770 12.09845 271.0591 14.53702 271.5412 17.01190 272.0233 19.82092 272.5054 22.92502 272.9875 26.27527 273.4697 29.83466 273.9518 33.66495 274.4339 37.52090 274.9160 41.22470 275.3981 45.00220 275.8802 49.79303 276.3624 55.68475 276.8445 61.91318 277.3266 67.75836 277.8087 73.12250 278.2908 79.72412 278.7729 87.92520 279.2551 97.17590 279.7372 105.8947 280.2193 113.9819 280.7014 122.4559 281.1835 131.9019 281.6656 142.3176 282.1478 153.4757 282.6299 165.3719 283.1120 178.0014 283.5941 191.2623 284.0762 205.2055 284.5583 220.0918 285.0405 236.4711 285.5226 254.1956 286.0047 271.6803 286.4868 288.6832 286.9689 306.2271 287.4510 325.5924 287.9332 346.7593 288.4153 369.5403 288.8974 393.4604 289.3795 418.6646 289.8616 444.7453 290.3438 471.5949 290.8259 500.0511 291.3080 531.9803 291.7901 566.5892 292.2722 601.1229 292.7543 634.3361 293.2365 666.6603 293.7186 699.5732 294.2007 732.8199 294.6828 764.0433 295.1649 791.3141 295.6470 814.6354 296.1292 835.1909 296.6113 853.7516 297.0934 868.7725 297.5755 878.2976 298.0576 882.3613 298.5397 881.0225 299.0219 872.1246 299.5040 857.8919 299.9861 843.1049 300.4682 828.5061 300.9503 814.4717 301.4324 800.5142 301.9146 787.0109 302.3967 775.1647 302.8788 765.6880 303.3609 758.5317 303.8430 753.6530 304.3251 750.9384 304.8073 750.8053 305.2894 752.9827 305.7715 758.0123 306.2536 767.3450 306.7357 782.6783 307.2178 802.1548 307.7000 823.4767 308.1821 846.3051 308.6642 872.1960 309.1463 902.9845 309.6284 937.3386 310.1105 973.7281 310.5927 1009.813 311.0748 1048.342 311.5569 1091.811 312.0390 1140.284 312.5211 1191.891 313.0032 1247.266 313.4854 1305.335 313.9675 1364.207 314.4496 1425.220 314.9317 1485.015 315.4138 1542.339 315.8959 1597.208 316.3781 1651.650 316.8602 1710.229 317.3423 1766.109 317.8244 1814.218 318.3065 1853.193 318.7886 1884.584 319.2708 1908.341 319.7529 1924.601 320.2350 1933.755 320.7171 1935.886 321.1992 1930.651 321.6813 1917.540 322.1635 1895.508 322.6456 1867.922 323.1277 1833.709 323.6098 1794.533 324.0919 1753.036 324.5740 1708.547 325.0562 1663.259 325.5383 1617.538 326.0204 1571.018 326.5025 1525.750 326.9846 1480.605 327.4667 1437.447 327.9489 1397.693 328.4310 1361.876 328.9131 1328.833 329.3952 1298.021 329.8773 1269.425 330.3594 1244.161 330.8416 1222.576 331.3237 1204.289 331.8058 1189.273 332.2879 1178.829 332.7700 1169.348 333.2521 1160.189 333.7343 1151.598 334.2164 1145.062 334.6985 1141.988 335.1806 1138.834 335.6627 1133.854 336.1448 1127.074 336.6270 1118.406 337.1091 1107.692 337.5912 1095.307 338.0733 1081.588 338.5554 1066.339 339.0375 1050.853 339.5197 1035.766 340.0018 1021.285 340.4839 1005.625 340.9660 988.8140 341.4481 971.3867 341.9302 954.4886 342.4124 938.0321 342.8945 921.2704 343.3766 903.4890 343.8587 885.1960 344.3408 868.0900 344.8229 852.3754 345.3051 837.0031 345.7872 821.6970 346.2693 806.2716 346.7514 788.7094 347.2335 768.4279 347.7156 746.2780 348.1978 724.5753 348.6799 703.1984 349.1620 680.5068 349.6441 655.3545 350.1262 628.0919 350.6083 599.5609 351.0905 569.5443 351.5726 538.3960 352.0547 505.5573 352.5368 471.6361 353.0189 438.4922 353.5010 407.5101 353.9832 377.5920 354.4653 347.3292 354.9474 316.3535 355.4295 286.0819 355.9116 256.7361 356.3937 228.7834 356.8759 203.3320 357.3580 180.9620 357.8401 160.7583 358.3222 142.3999 358.8043 125.6727 359.2864 110.3320 359.7686 96.35156 360.2507 83.55304 360.7328 71.88043 361.2149 60.85846 361.6970 51.53333 362.1791 44.71289 362.6613 39.90100 363.1434 35.96289 363.6255 32.48370 364.1076 29.82953 364.5897 28.18591 365.0718 27.75916 365.5540 28.15778 366.0361 28.73004 366.5182 30.14215 367.0003 33.33759 367.4824 38.69403 367.9645 45.77203 368.4467 54.74072 368.9288 65.46680 369.4109 76.94513 369.8930 88.82849 370.3751 101.7365 370.8572 116.0342 371.3394 130.5718 371.8215 148.3011 372.3036 170.2174 372.7857 195.4118 373.2678 220.9224 373.7499 246.5259 374.2321 273.1898 374.7142 300.9382 375.1963 329.6969 375.6784 360.5258 376.1605 393.6329 376.6426 428.5845 377.1248 463.3195 377.6069 497.8604 378.0890 534.0037 378.5711 571.4861 379.0532 610.9034 379.5353 653.8608 380.0175 700.6849 380.4996 751.4286 380.9817 805.7964 381.4638 863.7432 381.9459 927.3774 382.4280 996.2437 382.9102 1071.354 383.3923 1152.735 383.8744 1241.074 384.3565 1336.668 384.8386 1438.991 385.3207 1548.555 385.8029 1663.853 386.2850 1786.310 386.7671 1911.963 387.2492 2041.535 387.7313 2172.266 388.2134 2295.353 388.6956 2416.153 389.1777 2519.992 389.6598 2599.658 390.1419 2653.656 390.6240 2669.832 391.1061 2637.780 391.5883 2565.522 392.0704 2460.226 392.5525 2311.600 393.0346 2147.708 393.5167 1968.039 393.9988 1779.859 394.4810 1601.476 394.9631 1436.448 395.4452 1284.880 395.9273 1146.905 396.4094 1022.721 396.8915 911.4448 397.3737 814.8050 397.8558 730.3561 398.3379 655.1002 398.8200 591.7727 399.3021 534.5566 399.7842 482.6692 400.2664 436.0999 400.7485 393.7147 401.2306 356.5048 401.7127 322.9869 402.1948 292.4797 402.6769 265.2880 403.1591 240.5845 403.6412 218.5518 404.1233 198.8838 404.6054 180.0876 405.0875 162.0845 405.5696 145.8215 406.0518 131.9371 406.5339 120.4789 407.0160 109.9158 407.4981 100.4352 407.9802 91.66263 408.4623 82.86557 408.9445 74.04254 409.4266 67.01538 409.9087 62.74445 410.3908 60.24701 410.8729 57.68237 411.3550 54.98706 411.8372 51.69647 412.3193 46.64948 412.8014 40.77313 413.2835 36.23779 413.7656 33.38971 414.2477 31.44220 414.7299 29.92484 415.2120 28.68411 415.6941 27.46909 416.1762 26.18481 416.6583 24.78027 417.1404 23.37659 417.6226 21.90851 418.1047 19.83640 418.5868 16.06583 419.0689 11.87775 419.5510 8.414124 420.0331 6.276001 420.5153 4.518127 420.9974 3.470795 421.4795 2.631348 421.9616 0.8245240 422.4437 3.973206 422.9258 8.357422 423.4080 10.55942 423.8901 9.600433 424.3722 9.732483 424.8543 12.39490 425.3364 15.73898 425.8185 17.94263 426.3007 18.43820 426.7828 18.67029 427.2649 18.74796 427.7470 18.68509 428.2291 18.74591 428.7112 19.17944 429.1934 19.27502 429.6755 18.64819 430.1576 17.19647 430.6397 15.55405 431.1218 13.86194 431.6039 11.78436 432.0861 8.597137 432.5682 4.222839 433.0503 0.1882320 433.5324 4.182983 434.0145 7.939880 434.4966 12.09576 434.9788 16.66037 435.4609 21.45108 435.9430 26.75146 436.4251 32.20825 436.9072 36.86032 437.3893 40.59143 437.8715 43.42181 438.3536 45.36700 438.8357 46.42712 439.3178 46.60080 439.7999 45.43939 440.2820 43.65176 440.7642 41.77664 441.2463 39.81119 441.7284 38.02835 442.2105 36.04944 442.6926 34.51965 443.1747 34.09149 443.6569 35.99167 444.1390 37.75323 444.6211 38.51175 445.1032 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