#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:44:40 +0300 (Thu, 26 Apr 2018) $ #$Revision: 550 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000098.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_1000098 loop_ _publ_author_name 'Mereiter, K.' 'Preisinger, A.' _publ_section_title ; Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit Locality: Schneeberg, Saxony, Germany ; _journal_name_full 'Anzeiger der Osterreichische Akademie der Wissenschaften' _journal_page_first 79 _journal_page_last 81 _journal_volume 123 _journal_year 1986 _chemical_compound_source R080139 _chemical_formula_sum 'As Bi2 H O6' _chemical_name_mineral Atelestite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 107.08 _cell_angle_gamma 90 _cell_length_a 7.000 _cell_length_b 7.430 _cell_length_c 10.831 _cell_volume 538.475 _exptl_crystal_density_diffrn 7.276 _cod_original_formula_sum 'Bi2 As O6 H' _cod_database_code 9009868 _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 R080139.rod _rod_data_source.block 3500000 _rod_database.code 1000098 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 9009868 COD http://www.crystallography.net/cod/9009868.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 145.8518 0.0000000E+00 146.3340 10.69165 146.8161 19.65234 147.2982 25.51538 147.7803 20.29883 148.2624 4.761475 148.7445 5.424072 149.2267 10.95557 149.7088 9.323975 150.1909 1.665283 150.6730 11.81396 151.1551 30.19580 151.6372 53.56177 152.1194 83.20044 152.6015 121.5500 153.0836 171.4182 153.5657 222.9297 154.0478 276.7493 154.5299 331.7061 155.0121 386.9998 155.4942 442.4106 155.9763 496.6289 156.4584 546.7700 156.9405 592.6909 157.4227 638.0308 157.9048 682.3833 158.3869 726.8982 158.8690 773.1248 159.3511 820.0947 159.8332 871.9971 160.3154 933.1262 160.7975 1003.129 161.2796 1078.795 161.7617 1157.239 162.2438 1239.219 162.7259 1328.056 163.2081 1423.701 163.6902 1529.100 164.1723 1644.463 164.6544 1770.851 165.1365 1907.635 165.6186 2055.251 166.1008 2212.889 166.5829 2382.999 167.0650 2562.680 167.5471 2756.378 168.0292 2971.003 168.5113 3207.318 168.9935 3453.163 169.4756 3691.000 169.9577 3930.994 170.4398 4142.236 170.9219 4344.684 171.4040 4511.639 171.8862 4624.343 172.3683 4675.157 172.8504 4664.821 173.3325 4594.241 173.8146 4430.470 174.2967 4236.286 174.7789 3993.947 175.2610 3728.425 175.7431 3465.178 176.2252 3212.505 176.7073 2974.402 177.1894 2767.287 177.6716 2594.235 178.1537 2442.455 178.6358 2311.565 179.1179 2199.843 179.6000 2102.252 180.0821 2017.244 180.5643 1945.459 181.0464 1887.230 181.5285 1840.786 182.0106 1805.979 182.4927 1783.450 182.9749 1772.721 183.4570 1771.616 183.9391 1779.005 184.4212 1797.199 184.9033 1826.072 185.3854 1866.664 185.8676 1916.250 186.3497 1973.341 186.8318 2037.976 187.3139 2108.695 187.7960 2185.070 188.2781 2267.989 188.7603 2358.110 189.2424 2456.010 189.7245 2560.914 190.2066 2671.779 190.6887 2788.629 191.1708 2912.560 191.6530 3046.694 192.1351 3187.003 192.6172 3333.185 193.0993 3484.604 193.5814 3640.929 194.0635 3802.854 194.5457 3974.099 195.0278 4140.827 195.5099 4302.928 195.9920 4455.412 196.4741 4595.548 196.9562 4722.762 197.4384 4835.825 197.9205 4931.889 198.4026 5014.012 198.8847 5063.706 199.3668 5078.924 199.8489 5063.758 200.3311 5024.559 200.8132 4966.051 201.2953 4889.222 201.7774 4798.118 202.2595 4683.983 202.7416 4563.424 203.2238 4434.058 203.7059 4299.340 204.1880 4160.649 204.6701 4018.422 205.1522 3875.824 205.6344 3748.546 206.1165 3638.633 206.5986 3537.784 207.0807 3442.801 207.5628 3355.978 208.0449 3281.714 208.5271 3222.705 209.0092 3177.305 209.4913 3140.185 209.9734 3108.778 210.4555 3086.161 210.9376 3073.403 211.4198 3070.257 211.9019 3076.532 212.3840 3093.089 212.8661 3118.891 213.3482 3149.601 213.8303 3187.980 214.3125 3226.236 214.7946 3262.106 215.2767 3294.997 215.7588 3321.956 216.2409 3346.512 216.7230 3358.901 217.2052 3349.039 217.6873 3316.330 218.1694 3262.022 218.6515 3185.750 219.1336 3087.391 219.6157 2971.620 220.0979 2832.006 220.5800 2678.582 221.0621 2520.748 221.5442 2357.910 222.0263 2196.981 222.5084 2043.808 222.9906 1897.690 223.4727 1759.657 223.9548 1631.645 224.4369 1512.364 224.9190 1402.117 225.4011 1300.324 225.8833 1206.999 226.3654 1121.947 226.8475 1046.423 227.3296 974.9192 227.8117 907.5330 228.2938 843.2307 228.7760 783.0630 229.2581 726.7573 229.7402 672.6804 230.2223 618.2490 230.7044 562.1689 231.1866 509.5098 231.6687 462.3395 232.1508 417.5021 232.6329 372.7781 233.1150 327.7523 233.5971 284.5161 234.0793 246.1990 234.5614 214.7340 235.0435 183.7249 235.5256 150.7781 236.0077 119.6403 236.4898 92.93030 236.9720 71.10938 237.4541 52.55701 237.9362 35.28418 238.4183 19.70435 238.9004 4.819946 239.3825 9.812866 239.8647 23.51270 240.3468 35.53101 240.8289 45.95398 241.3110 55.45630 241.7931 65.12720 242.2752 75.39832 242.7574 84.19312 243.2395 92.94714 243.7216 99.46338 244.2037 101.6034 244.6858 99.48267 245.1679 95.45764 245.6501 91.92883 246.1322 88.77856 246.6143 87.01978 247.0964 87.38965 247.5785 88.43042 248.0606 89.80322 248.5428 91.18298 249.0249 91.69910 249.5070 90.83447 249.9891 88.57410 250.4712 82.11389 250.9533 68.19946 251.4355 52.92078 251.9176 41.12024 252.3997 32.63672 252.8818 22.97070 253.3639 8.190186 253.8460 12.08044 254.3282 31.95300 254.8103 49.58728 255.2924 68.27014 255.7745 90.08850 256.2566 115.0381 256.7387 141.9352 257.2209 170.0039 257.7030 199.5060 258.1851 230.8547 258.6672 265.2723 259.1493 300.3983 259.6314 333.5762 260.1136 365.2438 260.5957 399.6681 261.0778 440.8729 261.5599 486.5339 262.0420 529.1627 262.5241 565.6759 263.0063 602.7207 263.4884 645.6270 263.9705 693.8641 264.4526 742.7384 264.9347 788.6448 265.4168 834.9072 265.8990 886.4395 266.3811 944.9570 266.8632 1006.217 267.3453 1067.452 267.8275 1128.735 268.3096 1191.752 268.7917 1256.408 269.2738 1323.719 269.7559 1394.611 270.2380 1469.854 270.7202 1544.644 271.2023 1616.610 271.6844 1685.529 272.1665 1751.322 272.6486 1815.970 273.1307 1874.030 273.6129 1923.400 274.0950 1964.321 274.5771 1994.859 275.0592 2015.137 275.5413 2024.653 276.0234 2020.249 276.5056 2000.270 276.9877 1965.908 277.4698 1920.464 277.9519 1864.253 278.4340 1798.591 278.9161 1721.799 279.3983 1635.592 279.8804 1545.147 280.3625 1447.923 280.8446 1351.457 281.3267 1260.281 281.8088 1173.569 282.2910 1088.608 282.7731 1003.452 283.2552 919.2805 283.7373 839.6277 284.2194 763.4253 284.7015 694.4924 285.1837 634.6523 285.6658 581.5679 286.1479 531.6523 286.6300 483.1901 287.1121 437.3679 287.5942 397.1583 288.0764 363.0420 288.5585 333.8035 289.0406 308.9811 289.5227 288.2736 290.0048 272.1804 290.4869 260.9656 290.9691 253.4436 291.4512 247.6312 291.9333 243.5448 292.4154 241.2693 292.8975 240.3372 293.3796 241.4551 293.8618 245.7253 294.3439 253.4255 294.8260 263.0084 295.3081 271.9031 295.7902 279.1278 296.2723 289.7889 296.7545 306.5488 297.2366 324.9968 297.7187 342.5134 298.2008 359.1512 298.6829 377.4541 299.1650 399.5009 299.6472 425.3651 300.1293 454.5303 300.6114 488.0800 301.0935 524.3867 301.5756 564.7432 302.0577 607.9651 302.5399 650.7523 303.0220 688.1536 303.5041 720.6440 303.9862 762.7253 304.4683 824.7065 304.9504 884.5116 305.4326 935.0771 305.9147 977.8000 306.3968 1016.154 306.8789 1052.623 307.3610 1086.364 307.8431 1113.075 308.3253 1135.331 308.8074 1146.075 309.2895 1143.131 309.7716 1129.667 310.2537 1108.710 310.7358 1081.380 311.2180 1049.295 311.7001 1014.964 312.1822 974.3962 312.6643 937.1844 313.1464 903.7096 313.6285 874.3193 314.1107 849.0518 314.5928 827.9573 315.0749 811.3831 315.5570 799.8214 316.0392 793.1871 316.5213 792.0657 317.0034 800.2856 317.4855 811.1211 317.9676 821.0537 318.4497 829.8485 318.9319 839.4537 319.4140 852.7250 319.8961 870.3164 320.3782 885.0748 320.8603 898.1929 321.3424 906.7568 321.8246 910.7098 322.3067 909.3384 322.7888 901.2070 323.2709 885.1992 323.7530 861.5056 324.2351 831.9819 324.7173 795.4099 325.1994 753.7889 325.6815 705.1122 326.1636 652.9639 326.6457 601.3850 327.1278 552.3759 327.6100 505.7131 328.0921 460.1641 328.5742 414.0886 329.0563 372.8809 329.5384 336.5813 330.0205 305.5463 330.5027 280.9612 330.9848 263.0225 331.4669 249.5262 331.9490 237.1727 332.4311 225.3440 332.9132 217.4379 333.3954 214.8015 333.8775 215.8251 334.3596 220.6758 334.8417 228.9861 335.3238 239.2061 335.8059 250.0085 336.2881 261.4047 336.7702 273.7317 337.2523 286.2555 337.7344 300.7998 338.2165 318.3943 338.6986 338.5066 339.1808 360.0892 339.6629 382.8076 340.1450 406.4193 340.6271 430.2079 341.1092 454.2130 341.5913 478.2109 342.0735 501.3365 342.5556 524.6741 343.0377 550.2412 343.5198 579.4888 344.0019 609.1614 344.4840 633.3037 344.9662 650.8286 345.4483 668.2792 345.9304 688.8040 346.4125 709.2974 346.8946 727.5247 347.3767 743.2404 347.8589 757.1548 348.3410 770.0360 348.8231 781.8972 349.3052 791.7288 349.7873 799.9683 350.2694 805.1464 350.7516 806.1027 351.2337 803.4470 351.7158 799.5132 352.1979 796.1851 352.6800 792.6997 353.1621 786.0215 353.6443 774.7252 354.1264 763.1315 354.6085 755.0149 355.0906 748.2584 355.5727 739.2166 356.0548 725.6915 356.5370 710.3210 357.0191 696.3411 357.5012 683.9177 357.9833 672.7615 358.4654 663.7302 358.9475 655.4230 359.4297 645.7930 359.9118 634.0421 360.3939 623.3818 360.8760 617.1265 361.3581 614.3253 361.8402 609.8784 362.3224 602.0933 362.8045 593.4685 363.2866 586.0853 363.7687 579.8132 364.2508 574.8993 364.7329 573.1248 365.2151 572.1648 365.6972 567.6039 366.1793 558.5667 366.6614 548.9539 367.1436 542.0682 367.6257 536.9810 368.1078 530.7335 368.5899 522.9343 369.0720 513.6315 369.5541 502.4840 370.0363 489.7141 370.5184 476.8718 371.0005 465.1650 371.4826 453.3857 371.9647 438.6896 372.4468 420.3278 372.9290 401.5990 373.4111 383.5693 373.8932 366.0668 374.3753 349.2195 374.8574 333.0959 375.3395 317.4342 375.8217 302.2723 376.3038 287.7511 376.7859 272.4630 377.2680 254.5236 377.7501 236.9222 378.2322 222.0300 378.7144 209.9851 379.1965 199.9320 379.6786 191.2180 380.1607 183.9590 380.6428 178.5056 381.1249 175.8341 381.6071 173.6653 382.0892 170.6473 382.5713 167.6118 383.0534 166.3109 383.5355 167.5332 384.0176 170.4139 384.4998 173.0211 384.9819 174.1125 385.4640 177.1155 385.9461 184.0106 386.4282 191.6764 386.9103 197.5026 387.3925 201.0981 387.8746 203.4955 388.3567 205.6035 388.8388 207.2191 389.3209 210.1107 389.8030 216.2266 390.2852 221.4250 390.7673 224.0447 391.2494 224.5334 391.7315 224.0032 392.2136 223.1034 392.6957 221.6936 393.1779 219.2802 393.6600 214.9724 394.1421 210.8427 394.6242 208.1818 395.1063 205.1035 395.5884 199.5153 396.0706 191.0546 396.5527 181.7753 397.0348 174.3903 397.5169 169.5541 397.9990 164.2129 398.4811 158.2875 398.9633 151.9736 399.4454 145.3606 399.9275 138.4102 400.4096 130.8042 400.8917 122.1630 401.3738 112.8517 401.8560 104.5848 402.3381 98.24854 402.8202 91.30750 403.3023 82.57654 403.7844 73.09448 404.2665 63.91956 404.7487 55.39050 405.2308 46.91711 405.7129 37.54028 406.1950 27.07178 406.6771 17.78796 407.1592 10.50085 407.6414 4.268188 408.1235 1.526489 408.6056 6.915894 409.0877 11.95850 409.5698 16.90125 410.0519 21.45703 410.5341 24.73730 411.0162 26.34302 411.4983 28.07458 411.9804 31.57715 412.4625 35.78210 412.9446 38.75830 413.4268 39.73779 413.9089 40.22607 414.3910 41.39990 414.8731 43.10767 415.3553 44.70776 415.8374 46.16785 416.3195 47.13538 416.8016 47.06750 417.2837 46.04858 417.7658 44.24121 418.2480 40.77380 418.7301 37.01538 419.2122 34.87732 419.6943 34.47852 420.1764 34.03333 420.6585 32.17700 421.1407 28.96387 421.6228 25.49048 422.1049 21.43018 422.5870 17.50061 423.0691 13.78894 423.5512 10.43188 424.0334 7.854736 424.5155 6.260864 424.9976 5.000732 425.4797 2.852783 425.9618 0.5968020 426.4439 4.239014 426.9261 8.723511 427.4082 12.91809 427.8903 15.85986 428.3724 17.66174 428.8545 19.14941 429.3366 20.94470 429.8188 23.05249 430.3009 25.61377 430.7830 29.29199 431.2651 32.72095 431.7472 35.58154 432.2293 38.11902 432.7115 40.71973 433.1936 43.51282 433.6757 46.15320 434.1578 47.75269 434.6399 47.55017 435.1220 48.97864 435.6042 54.48792 436.0863 59.82373 436.5684 62.49707 437.0505 63.06921 437.5326 63.87207 438.0147 66.58862 438.4969 70.73132 438.9790 74.64514 439.4611 78.32776 439.9432 81.74524 440.4253 84.05530 440.9074 86.49890 441.3896 90.89343 441.8717 98.02844 442.3538 104.8218 442.8359 107.6217 443.3180 107.2709 443.8001 108.9762 444.2823 114.3619 444.7644 120.9152 445.2465 126.4526 445.7286 131.1219 446.2107 135.2705 446.6928 138.6418 447.1750 141.7121 447.6571 145.1820 448.1392 148.9668 448.6213 152.2083 449.1034 154.4131 449.5855 155.8788 450.0677 157.2934 450.5498 158.5590 451.0319 159.8287 451.5140 161.9032 451.9961 163.7188 452.4782 163.4354 452.9604 160.7681 453.4425 157.7806 453.9246 156.6631 454.4067 157.6735 454.8888 158.0931 455.3709 158.0349 455.8531 157.3590 456.3352 155.0110 456.8173 152.2953 457.2994 151.3745 457.7815 153.1677 458.2636 156.5609 458.7458 159.1951 459.2279 160.3682 459.7100 162.3440 460.1921 165.7499 460.6742 169.3771 461.1563 172.4597 461.6385 175.1040 462.1206 177.9001 462.6027 181.2314 463.0848 185.0359 463.5669 189.1820 464.0491 193.8025 464.5312 198.4765 465.0133 202.8754 465.4954 207.3314 465.9775 212.1648 466.4597 217.4047 466.9418 222.7820 467.4239 228.2223 467.9060 233.6295 468.3881 238.5877 468.8702 243.0271 469.3524 247.2236 469.8345 250.9195 470.3166 254.3618 470.7987 258.6074 471.2808 264.4994 471.7629 271.0920 472.2451 277.7213 472.7272 284.2976 473.2093 290.5192 473.6914 296.3453 474.1735 301.6455 474.6556 305.9926 475.1378 309.0261 475.6199 312.7670 476.1020 319.0957 476.5841 325.3699 477.0662 328.7648 477.5483 329.2658 478.0305 329.3484 478.5126 331.1807 478.9947 334.3772 479.4768 334.7523 479.9589 330.9285 480.4410 325.9163 480.9232 320.4902 481.4053 313.7910 481.8874 304.5256 482.3695 292.4822 482.8516 279.2118 483.3337 266.8317 483.8159 255.7337 484.2980 242.9341 484.7801 226.8092 485.2622 210.7178 485.7443 195.4325 486.2264 180.9790 486.7086 167.3721 487.1907 154.6115 487.6728 142.7224 488.1549 131.8658 488.6370 122.1375 489.1191 111.6850 489.6013 98.76227 490.0834 86.51825 490.5655 77.98676 491.0476 72.70007 491.5297 67.56750 492.0118 60.92407 492.4940 53.99359 492.9761 48.48822 493.4582 44.36816 493.9403 40.61450 494.4224 36.78387 494.9045 32.91913 495.3867 29.07703 495.8688 24.79474 496.3509 21.53021 496.8330 20.42572 497.3151 20.02759 497.7972 18.82172 498.2794 16.64325 498.7615 14.13715 499.2436 11.82336 499.7257 9.717834 500.2078 7.812439 500.6899 6.139709 501.1721 4.620056 501.6542 3.136414 502.1363 1.853394 502.6184 0.9161380 503.1005 0.3715820 503.5826 0.1895750 504.0648 0.4199830 504.5469 1.114258 505.0290 1.703125 505.5111 2.474426 505.9932 2.757935 506.4753 1.959961 506.9575 0.6342160 507.4396 0.3272090 507.9217 0.5449830 508.4038 0.4674070 508.8859 0.7998050 509.3680 1.492371 509.8502 1.381042 510.3323 0.2464600 510.8144 2.014221 511.2965 2.325745 511.7786 1.460510 512.2607 0.9070430 512.7429 1.627380 513.2250 2.343689 513.7071 1.510071 514.1892 0.4417720 514.6713 1.515381 515.1534 0.6870120 515.6356 1.082458 516.1177 1.871338 516.5998 1.111877 517.0819 0.6058960 517.5640 0.7973020 518.0461 0.9395140 518.5283 0.2774660 519.0104 0.9404910 519.4925 1.860413 519.9746 1.941406 520.4567 1.249329 520.9388 7.0435002E-02 521.4210 2.691956 521.9031 4.633545 522.3852 5.791199 522.8673 6.202026 523.3494 5.581238 523.8315 4.109924 524.3137 2.564087 524.7958 1.292480 525.2779 0.4525760 525.7600 0.9852290 526.2421 3.437561 526.7242 5.174622 527.2064 3.971802 527.6885 1.997986 528.1706 2.367188 528.6527 5.830505 529.1348 8.629822 529.6169 8.340576 530.0991 6.339661 530.5812 4.681091 531.0633 3.643127 531.5454 3.183899 532.0275 3.297913 532.5096 3.956055 532.9918 5.010437 533.4739 6.935364 533.9560 8.576599 534.4381 9.750977 534.9202 10.51086 535.4023 10.72968 535.8845 10.47192 536.3666 10.21490 536.8487 10.53064 537.3308 11.41962 537.8129 11.61792 538.2951 9.784851 538.7772 9.056396 539.2593 11.15045 539.7415 14.11469 540.2236 15.76978 540.7057 15.57361 541.1878 14.88568 541.6699 14.91974 542.1520 15.63141 542.6342 16.90814 543.1163 19.18402 543.5984 20.94269 544.0805 20.69910 544.5626 19.35388 545.0447 18.54956 545.5269 18.66101 546.0090 19.03442 546.4911 19.27246 546.9732 19.49408 547.4553 20.04895 547.9374 21.02069 548.4196 21.92389 548.9017 22.22223 549.3838 21.89240 549.8659 22.04028 550.3480 23.25403 550.8301 24.15619 551.3123 24.20929 551.7944 23.79382 552.2765 23.24420 552.7586 22.71674 553.2407 22.45807 553.7228 22.89099 554.2050 24.08099 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