#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:03:16 +0300 (Thu, 26 Apr 2018) $ #$Revision: 635 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000169.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_1000169 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 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 R140430.rod _rod_data_source.block 3500000 _rod_database.code 1000169 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 91.55994 0.0000000E+00 92.04205 3.487793 92.52417 30.71448 93.00629 88.50513 93.48840 146.2766 93.97052 186.8972 94.45264 202.4347 94.93475 217.9722 95.41687 235.8561 95.89898 255.6421 96.38110 278.8608 96.86321 306.2516 97.34533 336.4723 97.82745 365.8750 98.30956 404.9510 98.79168 453.8533 99.27380 509.7795 99.75591 572.1516 100.2380 640.0922 100.7201 712.4194 101.2023 789.8154 101.6844 871.4672 102.1665 951.5663 102.6486 1039.032 103.1307 1120.189 103.6128 1183.760 104.0950 1230.503 104.5771 1256.894 105.0592 1255.408 105.5413 1232.703 106.0234 1194.470 106.5055 1137.813 106.9877 1066.451 107.4698 994.9510 107.9519 920.4958 108.4340 849.0686 108.9161 780.8102 109.3982 716.5295 109.8804 658.7732 110.3625 610.1306 110.8446 570.7363 111.3267 542.0293 111.8088 528.3967 112.2909 521.8384 112.7731 520.3263 113.2552 522.5166 113.7373 528.4055 114.2194 535.7091 114.7015 541.2031 115.1836 551.5405 115.6658 568.9619 116.1479 588.5898 116.6300 606.5015 117.1121 621.9637 117.5942 635.6293 118.0763 648.7480 118.5584 664.1573 119.0406 672.4788 119.5227 671.0659 120.0048 660.9061 120.4869 643.5804 120.9690 618.2605 121.4511 587.1570 121.9333 554.9521 122.4154 520.0092 122.8975 484.5311 123.3796 450.6149 123.8617 418.3431 124.3438 387.0084 124.8260 357.8953 125.3081 329.5853 125.7902 300.3683 126.2723 269.4385 126.7544 237.8201 127.2365 208.2559 127.7187 180.9556 128.2008 155.7596 128.6829 131.9543 129.1650 109.6511 129.6471 89.20459 130.1292 70.88507 130.6114 54.64569 131.0935 39.89709 131.5756 26.04858 132.0577 14.28851 132.5398 5.640503 133.0219 0.3688350 133.5041 4.956848 133.9862 9.146912 134.4683 12.92334 134.9504 16.53223 135.4325 21.19507 135.9146 24.83734 136.3968 25.57123 136.8789 23.46393 137.3610 20.67407 137.8431 19.77911 138.3252 21.37811 138.8073 22.29388 139.2895 22.22589 139.7716 21.52814 140.2537 20.50244 140.7358 19.11334 141.2179 17.70215 141.7000 16.97076 142.1821 16.91626 142.6643 16.89941 143.1464 16.88525 143.6285 16.75385 144.1106 15.78070 144.5927 13.20233 145.0748 10.34064 145.5570 8.339111 146.0391 7.212036 146.5212 6.534668 147.0033 5.927490 147.4854 5.356079 147.9675 5.167603 148.4497 5.058044 148.9318 5.659729 149.4139 5.147400 149.8960 5.860291 150.3781 6.847168 150.8602 7.129639 151.3424 7.150696 151.8245 5.623962 152.3066 2.061462 152.7887 2.468689 153.2708 7.117188 153.7529 11.57019 154.2351 16.07898 154.7172 21.29095 155.1993 27.53876 155.6814 34.21564 156.1635 41.62903 156.6456 49.33624 157.1278 56.91315 157.6099 64.17297 158.0920 71.03418 158.5741 77.07922 159.0562 81.28149 159.5383 85.91455 160.0205 91.63452 160.5026 98.19672 160.9847 105.1716 161.4668 112.5315 161.9489 119.9518 162.4310 126.1531 162.9131 131.0211 163.3953 134.9309 163.8774 137.5189 164.3595 138.9440 164.8416 140.7993 165.3237 144.0119 165.8058 148.4650 166.2880 153.6907 166.7701 160.1270 167.2522 166.9496 167.7343 173.1550 168.2164 178.5946 168.6985 184.0950 169.1807 189.8634 169.6628 196.0153 170.1449 202.9088 170.6270 211.0677 171.1091 219.7879 171.5912 227.2606 172.0734 232.4964 172.5555 238.3478 173.0376 246.4265 173.5197 255.6224 174.0018 264.4202 174.4839 271.9274 174.9661 278.3040 175.4482 284.5138 175.9303 292.0480 176.4124 297.5466 176.8945 299.7870 177.3766 299.4545 177.8588 297.7859 178.3409 295.6586 178.8230 293.0653 179.3051 289.1973 179.7872 284.0189 180.2693 277.6326 180.7515 269.2464 181.2336 259.5187 181.7157 250.0450 182.1978 242.2134 182.6799 236.2352 183.1620 229.9683 183.6441 222.5607 184.1263 215.6568 184.6084 210.0430 185.0905 205.7437 185.5726 202.3898 186.0547 199.6751 186.5368 197.5870 187.0190 196.1885 187.5011 195.1241 187.9832 194.9831 188.4653 196.9470 188.9474 200.9888 189.4296 204.6407 189.9117 204.9363 190.3938 201.9985 190.8759 200.3898 191.3580 200.9771 191.8401 202.8556 192.3223 205.4397 192.8044 208.9187 193.2865 212.2823 193.7686 214.0251 194.2507 214.8693 194.7328 217.0349 195.2150 221.9476 195.6971 228.3234 196.1792 233.5713 196.6613 236.8436 197.1434 240.8354 197.6255 247.5348 198.1077 256.4446 198.5898 266.4154 199.0719 276.9814 199.5540 288.0606 200.0361 299.4798 200.5182 310.9399 201.0004 323.3537 201.4825 336.5354 201.9646 350.8539 202.4467 367.0202 202.9288 385.8166 203.4109 407.0497 203.8930 428.2680 204.3752 448.5126 204.8573 469.7618 205.3394 492.9098 205.8215 517.4242 206.3036 542.2621 206.7857 566.5125 207.2679 590.3180 207.7500 615.1830 208.2321 641.9285 208.7142 668.8069 209.1963 695.8214 209.6784 722.5984 210.1606 748.6442 210.6427 774.1464 211.1248 799.6394 211.6069 818.3139 212.0890 829.5012 212.5711 835.2429 213.0533 836.1803 213.5354 832.3383 214.0175 823.3336 214.4996 808.4958 214.9817 787.1818 215.4638 763.7634 215.9460 737.0767 216.4281 709.7550 216.9102 682.2039 217.3923 654.9516 217.8744 628.7670 218.3565 604.4980 218.8387 582.3651 219.3208 561.4944 219.8029 541.2529 220.2850 522.4655 220.7671 505.7483 221.2492 491.0466 221.7314 477.7096 222.2135 465.1745 222.6956 453.6023 223.1777 443.4665 223.6598 435.9003 224.1419 428.9165 224.6240 421.2550 225.1062 412.8099 225.5883 403.7929 226.0704 393.9849 226.5525 383.6408 227.0346 374.2984 227.5167 366.9029 227.9989 360.0460 228.4810 352.7571 228.9631 345.0189 229.4452 336.5574 229.9273 326.8705 230.4094 316.3132 230.8916 305.8265 231.3737 295.8365 231.8558 285.8126 232.3379 275.0072 232.8200 263.3028 233.3021 251.6610 233.7843 240.9114 234.2664 230.5394 234.7485 219.7111 235.2306 207.9153 235.7127 195.8315 236.1948 184.3247 236.6770 173.4142 237.1591 162.7576 237.6412 152.0313 238.1233 141.4626 238.6054 131.2444 239.0875 121.3742 239.5697 111.9666 240.0518 103.2315 240.5339 95.15369 241.0160 87.72070 241.4981 81.27802 241.9802 75.28448 242.4624 69.18060 242.9445 62.70007 243.4266 56.34711 243.9087 51.09875 244.3908 47.36121 244.8729 43.66675 245.3550 39.62354 245.8372 35.44659 246.3193 31.30798 246.8014 27.26495 247.2835 23.30219 247.7656 19.19971 248.2477 14.50586 248.7299 10.80957 249.2120 9.411499 249.6941 8.412109 250.1762 6.162231 250.6583 2.195496 251.1404 2.382996 251.6226 5.781433 252.1047 7.693787 252.5868 9.003601 253.0689 9.270813 253.5510 9.394653 254.0331 10.04663 254.5153 11.38092 254.9974 13.07654 255.4795 14.72449 255.9616 16.56641 256.4437 17.76965 256.9258 18.04688 257.4080 18.01697 257.8901 17.93237 258.3722 17.91052 258.8543 18.08569 259.3364 18.69275 259.8185 20.03601 260.3007 21.03571 260.7828 21.48993 261.2649 21.83374 261.7470 22.54132 262.2291 23.53918 262.7112 24.18854 263.1934 23.60162 263.6755 21.08087 264.1576 19.92542 264.6397 21.52606 265.1218 23.06769 265.6039 23.04755 266.0861 21.42468 266.5682 18.92017 267.0503 16.09601 267.5324 12.78064 268.0145 10.43304 268.4966 9.757507 268.9788 9.199280 269.4609 8.073914 269.9430 6.385498 270.4251 4.498657 270.9072 2.762817 271.3893 1.232422 271.8715 1.293457 272.3536 5.353821 272.8357 9.635559 273.3178 13.32086 273.7999 16.71100 274.2820 20.69598 274.7642 25.92255 275.2463 32.30579 275.7284 38.68048 276.2105 44.60522 276.6926 51.00146 277.1747 58.16669 277.6568 66.07611 278.1389 74.62982 278.6211 83.82343 279.1032 93.54669 279.5853 103.4863 280.0674 113.6002 280.5495 123.9642 281.0316 134.2208 281.5138 144.7909 281.9959 156.2749 282.4780 168.8165 282.9601 182.7489 283.4422 198.9045 283.9243 218.1565 284.4065 237.6706 284.8886 256.3161 285.3707 275.0355 285.8528 295.1727 286.3349 317.2170 286.8170 340.7383 287.2992 365.2031 287.7813 389.8994 288.2634 417.2988 288.7455 448.2917 289.2276 481.8719 289.7097 517.0015 290.1919 553.5085 290.6740 590.4294 291.1561 626.6013 291.6382 661.4712 292.1203 699.3625 292.6024 743.0573 293.0846 788.6470 293.5667 832.2317 294.0488 873.5047 294.5309 914.3443 295.0130 957.4801 295.4951 1002.699 295.9773 1042.519 296.4594 1076.039 296.9415 1104.515 297.4236 1128.558 297.9057 1148.197 298.3878 1164.188 298.8700 1177.214 299.3521 1186.501 299.8342 1190.988 300.3163 1187.545 300.7984 1182.232 301.2805 1177.268 301.7627 1173.031 302.2448 1170.771 302.7269 1170.760 303.2090 1173.689 303.6911 1180.842 304.1732 1192.562 304.6554 1207.261 305.1375 1222.910 305.6196 1240.891 306.1017 1265.139 306.5838 1297.668 307.0659 1336.364 307.5481 1376.490 308.0302 1416.452 308.5123 1461.808 308.9944 1514.799 309.4765 1574.193 309.9586 1637.365 310.4408 1703.349 310.9229 1773.380 311.4050 1848.795 311.8871 1929.401 312.3692 2014.501 312.8513 2104.682 313.3335 2198.869 313.8156 2297.158 314.2977 2399.440 314.7798 2503.857 315.2619 2609.963 315.7440 2717.809 316.2262 2823.896 316.7083 2928.603 317.1904 3030.922 317.6725 3132.223 318.1546 3232.251 318.6367 3323.629 319.1188 3401.497 319.6010 3465.469 320.0831 3522.415 320.5652 3578.062 321.0473 3621.899 321.5294 3647.857 322.0115 3657.077 322.4937 3653.919 322.9758 3640.101 323.4579 3615.214 323.9400 3578.614 324.4221 3529.395 324.9042 3473.656 325.3864 3411.608 325.8685 3344.679 326.3506 3274.458 326.8327 3200.931 327.3148 3125.836 327.7969 3050.566 328.2791 2974.057 328.7612 2902.804 329.2433 2837.965 329.7254 2779.279 330.2075 2727.292 330.6896 2682.104 331.1718 2640.918 331.6539 2600.463 332.1360 2560.905 332.6181 2526.790 333.1002 2498.935 333.5823 2476.265 334.0645 2459.191 334.5466 2447.234 335.0287 2437.249 335.5108 2427.363 335.9929 2417.654 336.4750 2408.844 336.9572 2403.424 337.4393 2396.110 337.9214 2384.321 338.4035 2368.890 338.8856 2351.845 339.3677 2334.034 339.8499 2315.420 340.3320 2295.900 340.8141 2275.966 341.2962 2254.540 341.7783 2230.250 342.2604 2204.737 342.7426 2180.921 343.2247 2159.738 343.7068 2138.230 344.1889 2112.279 344.6710 2080.256 345.1531 2047.665 345.6353 2015.538 346.1174 1982.420 346.5995 1948.060 347.0816 1912.221 347.5637 1872.859 348.0458 1828.563 348.5280 1778.956 349.0101 1726.286 349.4922 1671.005 349.9743 1612.899 350.4564 1552.163 350.9385 1489.012 351.4207 1423.003 351.9028 1353.909 352.3849 1282.650 352.8670 1212.337 353.3491 1144.821 353.8312 1076.159 354.3134 1003.469 354.7955 930.4611 355.2776 861.0193 355.7597 796.5946 356.2418 735.9409 356.7239 676.3217 357.2061 616.5294 357.6882 560.8013 358.1703 508.5948 358.6524 460.3029 359.1345 416.9709 359.6166 378.1532 360.0987 342.6165 360.5808 308.9912 361.0630 277.2427 361.5451 247.8086 362.0272 220.2123 362.5093 195.2849 362.9914 173.3914 363.4735 154.3169 363.9557 138.2906 364.4378 125.5314 364.9199 115.4746 365.4020 105.6335 365.8841 94.03784 366.3662 85.91608 366.8484 82.85291 367.3305 82.75690 367.8126 83.76410 368.2947 85.33002 368.7768 87.99738 369.2589 92.49396 369.7411 98.70154 370.2232 106.9597 370.7053 117.1708 371.1874 129.2874 371.6695 143.8152 372.1516 160.4426 372.6338 178.2639 373.1159 196.2654 373.5980 214.4584 374.0801 234.3294 374.5622 256.2786 375.0443 279.7443 375.5265 304.4408 376.0086 330.3239 376.4907 357.0551 376.9728 384.4678 377.4549 413.1138 377.9370 444.1153 378.4192 477.2416 378.9013 514.2386 379.3834 556.7048 379.8655 602.4850 380.3476 649.6987 380.8297 698.0089 381.3119 749.7991 381.7940 806.8242 382.2761 869.1747 382.7582 936.7689 383.2403 1009.791 383.7224 1088.612 384.2046 1172.166 384.6867 1260.493 385.1688 1356.069 385.6509 1460.654 386.1330 1572.455 386.6151 1689.129 387.0973 1811.315 387.5794 1934.944 388.0615 2064.532 388.5436 2192.631 389.0257 2309.454 389.5078 2417.070 389.9900 2505.807 390.4721 2572.289 390.9542 2615.092 391.4363 2620.574 391.9184 2581.967 392.4005 2504.570 392.8827 2394.622 393.3648 2251.806 393.8469 2097.041 394.3290 1930.573 394.8111 1760.001 395.2932 1597.300 395.7754 1442.366 396.2575 1299.427 396.7396 1171.368 397.2217 1059.129 397.7038 958.8061 398.1859 871.8690 398.6681 794.3716 399.1501 724.7477 399.6323 662.3989 400.1144 606.0128 400.5965 555.5318 401.0786 509.7715 401.5607 466.0632 402.0428 422.1115 402.5250 383.3179 403.0071 352.8002 403.4892 326.9737 403.9713 302.2401 404.4534 277.7622 404.9355 253.9659 405.4177 231.2502 405.8998 209.6039 406.3819 190.6086 406.8640 174.7670 407.3461 160.8176 407.8282 148.5485 408.3104 137.5762 408.7925 127.1118 409.2746 116.4492 409.7567 105.9971 410.2388 97.40375 410.7209 92.52869 411.2031 87.41547 411.6852 80.75494 412.1673 74.19556 412.6494 69.31335 413.1315 66.46448 413.6136 64.85999 414.0958 63.79376 414.5779 63.69128 415.0600 62.43982 415.5421 58.65399 416.0242 55.06421 416.5063 53.31458 416.9885 52.65295 417.4706 51.26080 417.9527 47.88733 418.4348 42.95398 418.9169 37.59357 419.3990 31.29340 419.8812 25.80206 420.3633 22.61017 420.8454 19.92700 421.3275 16.11432 421.8096 10.78992 422.2917 4.836914 422.7739 1.337158 423.2560 7.620575 423.7381 12.23694 424.2202 13.76114 424.7023 15.18472 425.1844 19.29034 425.6666 25.33551 426.1487 30.68158 426.6308 34.20868 427.1129 36.41086 427.5950 37.79837 428.0771 38.37042 428.5593 38.70935 429.0414 39.45120 429.5235 39.91446 430.0056 38.66492 430.4877 34.86429 430.9698 31.23572 431.4520 29.70752 431.9341 29.21472 432.4162 27.50098 432.8983 23.92203 433.3804 19.63611 433.8625 16.17426 434.3447 13.77713 434.8268 9.742554 435.3089 2.268799 435.7910 5.413696 436.2731 11.17471 436.7552 15.25305 437.2374 18.95468 437.7195 23.07285 438.2016 27.26480 438.6837 30.21951 439.1658 31.06219 439.6479 31.78101 440.1301 33.19260 440.6122 34.13678 441.0943 33.08395 441.5764 29.98459 442.0585 26.48883 442.5406 24.52313 443.0227 24.27621 443.5049 24.12482 443.9870 24.27719 444.4691 24.29602 444.9512 23.31387 445.4333 22.29013 445.9154 23.05026 446.3976 26.75201 446.8797 31.67130 447.3618 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