#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:44:04 +0300 (Thu, 26 Apr 2018) $ #$Revision: 541 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000091.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_1000091 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Second edition. Interscience Publishers, New York, New York Note: wurtzite structure ; _journal_name_full 'Crystal Structures' _journal_page_first 85 _journal_page_last 237 _journal_volume 1 _journal_year 1963 _chemical_compound_source R080017 _chemical_formula_sum 'Ag I' _chemical_name_mineral Iodargyrite _space_group_IT_number 186 _symmetry_space_group_name_Hall 'P 6c -2c' _symmetry_space_group_name_H-M 'P 63 m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 4.580 _cell_length_b 4.580 _cell_length_c 7.494 _cell_volume 136.137 _exptl_crystal_density_diffrn 5.727 _cod_database_code 9008859 _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 R080017.rod _rod_data_source.block 3500000 _rod_database.code 1000091 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 9008859 COD http://www.crystallography.net/cod/9008859.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 136.9363 0.0000000E+00 137.4185 2.102051 137.9006 0.3936770 138.3827 5.186157 138.8648 11.71448 139.3469 16.67163 139.8290 19.16406 140.3112 20.16553 140.7933 20.28467 141.2754 19.62268 141.7575 20.46960 142.2396 24.43237 142.7217 29.01331 143.2039 31.44739 143.6860 31.51941 144.1681 30.80725 144.6502 30.14697 145.1323 29.89868 145.6144 30.57886 146.0966 32.17810 146.5787 33.84900 147.0608 35.47424 147.5429 36.72839 148.0250 38.80298 148.5071 42.85303 148.9893 48.35406 149.4714 53.91351 149.9535 58.67090 150.4356 62.52917 150.9177 65.89380 151.3998 68.92792 151.8820 70.89587 152.3641 71.21515 152.8462 70.21179 153.3283 68.70575 153.8104 66.73474 154.2925 62.73877 154.7747 63.09290 155.2568 71.58594 155.7389 80.67877 156.2210 85.58936 156.7031 85.66772 157.1852 83.49402 157.6673 82.93732 158.1495 85.63348 158.6316 87.07202 159.1137 86.07050 159.5958 84.73975 160.0779 84.38000 160.5600 86.86615 161.0422 91.44067 161.5243 94.38678 162.0064 96.75183 162.4885 99.18152 162.9706 101.6597 163.4527 103.5255 163.9349 104.1758 164.4170 103.7291 164.8991 102.9731 165.3812 101.9763 165.8633 102.2040 166.3454 101.4306 166.8276 99.94623 167.3097 98.12653 167.7918 95.45432 168.2739 91.51349 168.7560 86.97006 169.2381 82.50058 169.7203 78.35999 170.2024 74.65665 170.6845 71.48718 171.1666 69.03406 171.6487 66.31805 172.1308 62.70880 172.6130 58.78381 173.0951 54.99969 173.5772 51.45999 174.0593 48.17709 174.5414 45.22977 175.0235 43.01331 175.5057 40.23831 175.9878 36.26648 176.4699 31.92834 176.9520 27.77850 177.4341 24.13754 177.9162 21.00156 178.3984 18.15060 178.8805 15.46381 179.3626 13.28116 179.8447 11.99396 180.3268 11.11478 180.8089 9.901520 181.2911 7.906097 181.7732 5.350922 182.2553 3.440765 182.7374 3.444885 183.2195 2.634491 183.7016 0.5471500 184.1838 4.809479 184.6659 7.742584 185.1480 7.804932 185.6301 5.382065 186.1122 4.264297 186.5943 5.198166 187.0765 6.337738 187.5586 7.139572 188.0407 7.558167 188.5228 7.645599 189.0049 7.283691 189.4870 6.522461 189.9692 6.042297 190.4513 5.734787 190.9334 5.822098 191.4155 7.025879 191.8976 9.219559 192.3797 10.47804 192.8619 8.719772 193.3440 5.163589 193.8261 3.326782 194.3082 4.742630 194.7903 2.220016 195.2724 1.559967 195.7546 6.831482 196.2367 12.10417 196.7188 16.14673 197.2009 19.57326 197.6830 23.17982 198.1651 27.25864 198.6473 31.61740 199.1294 35.81590 199.6115 39.61708 200.0936 43.90250 200.5757 49.82069 201.0578 56.22235 201.5400 61.57320 202.0221 64.89389 202.5042 66.88633 202.9863 69.58394 203.4684 73.37360 203.9505 77.34100 204.4327 81.63585 204.9148 85.77821 205.3969 88.98396 205.8790 90.62257 206.3611 91.16142 206.8432 92.88525 207.3254 97.16993 207.8075 101.0690 208.2896 103.7243 208.7717 105.6071 209.2538 107.4343 209.7359 109.6827 210.2181 112.2945 210.7002 114.7174 211.1823 116.2405 211.6644 118.3253 212.1465 121.9371 212.6286 126.2720 213.1108 129.9838 213.5929 132.1553 214.0750 132.8689 214.5571 133.3419 215.0392 132.5042 215.5213 132.5014 216.0035 134.5737 216.4856 138.0110 216.9677 141.2958 217.4498 143.4501 217.9319 144.5422 218.4140 145.3723 218.8962 145.6897 219.3783 146.0505 219.8604 146.5351 220.3425 147.2053 220.8246 148.2814 221.3067 150.0527 221.7889 152.3452 222.2710 153.8834 222.7531 154.3301 223.2352 154.4494 223.7173 154.3519 224.1994 154.1572 224.6816 154.4206 225.1637 155.7410 225.6458 157.7185 226.1279 158.7603 226.6100 158.3322 227.0921 157.4878 227.5743 156.5855 228.0564 155.6984 228.5385 155.5785 229.0206 157.2042 229.5027 159.6848 229.9848 161.0466 230.4670 160.9565 230.9491 160.0065 231.4312 158.1085 231.9133 155.2464 232.3954 153.4824 232.8775 154.7310 233.3597 157.2381 233.8418 158.7115 234.3239 158.7090 234.8060 157.9527 235.2881 157.0827 235.7702 156.0970 236.2524 155.0742 236.7345 154.3645 237.2166 153.4479 237.6987 151.5995 238.1808 148.4615 238.6629 145.3552 239.1451 144.0942 239.6272 145.0196 240.1093 145.7932 240.5914 146.2071 241.0735 146.0103 241.5556 144.5187 242.0378 141.4777 242.5199 138.1099 243.0020 136.3151 243.4841 136.8784 243.9662 136.7774 244.4483 134.6722 244.9305 132.0195 245.4126 129.8098 245.8947 128.2723 246.3768 126.8789 246.8589 124.7756 247.3410 121.5519 247.8232 119.0091 248.3053 117.6678 248.7874 116.7076 249.2695 115.7246 249.7516 114.5426 250.2337 113.1395 250.7159 111.4876 251.1980 109.3488 251.6801 107.9505 252.1622 108.0172 252.6443 108.0719 253.1264 107.0061 253.6086 104.7146 254.0907 102.1031 254.5728 100.3343 255.0549 99.71871 255.5370 98.94199 256.0191 97.68475 256.5013 96.55653 256.9834 96.04011 257.4655 96.08141 257.9476 96.19054 258.4297 95.84220 258.9118 94.95544 259.3940 93.90621 259.8761 92.44157 260.3582 91.02103 260.8403 89.74232 261.3224 88.70890 261.8045 88.19205 262.2867 88.62614 262.7688 90.38614 263.2509 90.35910 263.7330 87.30959 264.2151 84.02068 264.6972 81.35388 265.1794 79.55613 265.6615 78.89979 266.1436 79.82995 266.6257 82.47888 267.1078 83.44492 267.5899 81.88387 268.0721 79.90420 268.5542 77.92459 269.0363 76.21439 269.5184 75.43347 270.0005 76.27797 270.4826 78.54422 270.9648 78.98037 271.4469 76.09252 271.9290 73.34863 272.4111 72.25653 272.8932 72.32951 273.3753 72.32363 273.8575 71.54974 274.3396 70.12783 274.8217 68.56684 275.3038 66.47690 275.7859 64.69678 276.2680 63.44354 276.7502 62.68683 277.2323 62.51213 277.7144 63.11969 278.1965 64.05054 278.6786 63.81222 279.1607 61.92660 279.6429 60.06962 280.1250 58.57458 280.6071 57.42045 281.0892 56.70399 281.5713 56.56590 282.0534 56.57701 282.5356 55.72565 283.0177 53.66386 283.4998 52.12754 283.9819 51.82058 284.4640 52.21652 284.9461 52.71848 285.4283 53.27020 285.9104 53.38511 286.3925 51.98092 286.8746 48.88240 287.3567 46.50167 287.8388 45.66870 288.3210 45.66500 288.8031 45.63157 289.2852 45.42537 289.7673 45.16066 290.2494 45.12195 290.7315 45.28964 291.2137 44.83327 291.6958 43.10656 292.1779 40.96698 292.6600 39.23932 293.1421 38.00114 293.6242 37.22221 294.1064 37.08998 294.5885 37.48216 295.0706 37.64209 295.5527 37.26653 296.0348 36.78481 296.5169 36.66415 296.9991 36.89348 297.4812 36.93580 297.9633 36.24004 298.4454 35.16140 298.9275 34.80942 299.4096 36.16692 299.8918 37.18073 300.3739 35.86285 300.8560 32.58371 301.3381 29.99170 301.8202 29.50763 302.3023 30.27381 302.7845 30.46458 303.2666 29.89909 303.7487 29.14301 304.2308 28.58938 304.7129 28.18877 305.1950 27.66534 305.6772 26.95598 306.1593 26.05124 306.6414 24.87300 307.1235 23.38053 307.6056 22.01391 308.0877 20.90865 308.5699 20.08432 309.0520 19.64938 309.5341 19.73928 310.0162 19.86132 310.4983 19.19357 310.9804 17.89332 311.4626 17.29875 311.9447 18.45892 312.4268 20.33189 312.9089 21.47773 313.3910 21.76437 313.8731 21.33767 314.3553 19.79562 314.8374 17.54198 315.3195 15.88360 315.8016 15.38753 316.2837 15.41657 316.7658 15.28473 317.2480 14.97263 317.7301 14.90323 318.2122 15.61774 318.6943 16.68587 319.1764 17.06729 319.6585 16.39460 320.1407 15.38351 320.6228 14.56879 321.1049 13.90594 321.5870 13.05489 322.0691 11.63035 322.5512 10.14437 323.0334 9.531914 323.5155 10.00126 323.9976 10.67425 324.4797 11.17718 324.9618 11.56216 325.4439 12.01794 325.9261 12.69138 326.4082 13.03380 326.8903 12.14375 327.3724 10.06543 327.8545 8.321259 328.3366 7.749542 328.8188 7.743881 329.3009 7.121254 329.7830 5.518219 330.2651 4.222290 330.7472 4.967110 331.2293 7.321884 331.7115 8.929420 332.1936 9.028427 332.6757 8.367584 333.1578 7.415016 333.6399 6.272896 334.1220 5.876411 334.6042 7.269806 335.0863 9.689705 335.5684 10.58542 336.0505 9.024101 336.5326 6.960793 337.0147 5.324089 337.4969 4.135674 337.9790 3.674706 338.4611 4.424896 338.9432 5.648483 339.4253 5.576805 339.9074 3.651253 340.3896 1.907524 340.8717 1.285965 341.3538 1.427101 341.8359 1.612633 342.3180 1.633110 342.8001 1.549599 343.2823 1.424904 343.7644 1.356422 344.2465 1.473816 344.7286 1.636375 345.2107 1.744850 345.6928 1.957985 346.1750 2.361870 346.6571 2.557800 347.1392 1.953453 347.6213 0.5336990 348.1034 0.1254650 348.5855 0.5566940 349.0677 1.509293 349.5498 2.267654 350.0319 2.740303 350.5140 2.631599 350.9961 1.655052 351.4782 0.1709900 351.9604 0.6172260 352.4425 0.5036090 352.9246 0.4274750 353.4067 0.7410810 353.8888 1.178741 354.3709 1.244400 354.8531 0.7255250 355.3352 7.8254998E-02 355.8173 0.6169130 356.2994 0.8793260 356.7815 0.9608760 357.2636 0.5090100 357.7458 3.6346000E-02 358.2279 0.3172840 358.7100 1.380386 359.1921 2.133530 359.6742 1.141609 360.1563 2.163887 360.6385 3.680481 361.1206 2.087135 361.6027 0.1060940 362.0848 0.9079440 362.5669 1.022705 363.0490 0.9062040 363.5312 1.034218 364.0133 1.339363 364.4954 1.175957 364.9775 5.2950000E-03 365.4596 1.050430 365.9417 1.904480 366.4239 2.412460 366.9060 2.156746 367.3881 0.9657290 367.8702 0.5021060 368.3523 0.8086400 368.8344 1.410858 369.3166 2.599274 369.7987 2.221107 370.2808 1.255791 370.7629 0.1627040 371.2450 0.8407520 371.7271 1.429489 372.2093 1.150139 372.6914 0.2297290 373.1735 1.043755 373.6556 0.8424910 374.1377 0.5395050 374.6198 0.4184420 375.1020 0.3921280 375.5841 0.3863530 376.0662 0.4056630 376.5483 0.3824690 377.0304 4.5821998E-02 377.5125 1.327995 377.9947 1.932449 378.4768 0.8228530 378.9589 0.7971650 379.4410 1.748878 379.9231 1.650299 380.4052 0.9564670 380.8874 0.2032930 381.3695 0.8769450 381.8516 1.122368 382.3337 0.7690810 382.8158 2.516708 383.2979 2.750862 383.7801 1.616562 384.2622 0.2886510 384.7443 0.2298360 385.2264 1.9051000E-02 385.7085 6.3187003E-02 386.1906 0.6794050 386.6728 1.108643 387.1549 0.9609680 387.6370 0.4762800 388.1191 1.7685000E-02 388.6012 0.2534260 389.0833 0.4129100 389.5655 0.5105900 390.0476 0.4092480 390.5297 0.7153700 391.0118 2.590775 391.4939 4.353630 391.9760 4.359177 392.4582 2.353355 392.9403 0.1340030 393.4224 0.8186490 393.9045 0.6941600 394.3866 0.6376340 394.8687 0.8923340 395.3509 1.072838 395.8330 0.6740720 396.3151 7.9727001E-02 396.7972 0.4492570 397.2793 0.2387700 397.7614 1.278580 398.2436 1.550453 398.7257 1.004074 399.2078 0.6218110 399.6899 1.386765 400.1720 2.457123 400.6541 1.962463 401.1363 1.215202 401.6184 3.892075 402.1005 3.625893 402.5826 1.323441 403.0647 0.3392180 403.5468 0.4114070 404.0290 3.2579999E-03 404.5111 0.9397810 404.9932 3.402649 405.4753 5.001747 405.9574 4.794708 406.4395 3.863312 406.9217 3.293892 407.4038 3.126991 407.8859 2.564796 408.3680 0.7218780 408.8501 2.158188 409.3322 3.143501 409.8144 0.7609410 410.2965 1.539398 410.7786 2.530388 411.2607 2.624405 411.7428 2.572701 412.2249 2.688400 412.7071 2.838966 413.1892 2.712807 413.6713 1.695015 414.1534 1.527260 414.6355 3.251465 415.1176 5.036346 415.5998 5.288979 416.0819 4.103226 416.5640 2.858910 417.0461 2.848366 417.5282 4.076294 418.0103 4.952736 418.4925 5.543129 418.9746 5.782463 419.4567 5.505074 419.9388 4.857368 420.4209 3.932449 420.9030 2.768631 421.3852 1.707161 421.8673 1.572334 422.3494 2.839745 422.8315 3.750717 423.3136 4.137634 423.7957 4.143768 424.2779 3.543312 424.7600 2.532867 425.2421 1.913437 425.7242 2.594727 426.2063 4.392532 426.6884 5.527321 427.1706 5.720612 427.6527 5.625572 428.1348 5.426620 428.6169 5.200272 429.0990 5.025818 429.5811 4.893341 430.0633 4.910515 430.5454 5.551575 431.0275 6.836899 431.5096 7.073326 431.9917 4.826790 432.4738 2.299538 432.9560 2.022781 433.4381 3.966545 433.9202 5.771141 434.4023 6.259644 434.8844 5.891129 435.3665 5.268280 435.8487 4.374863 436.3308 3.845413 436.8129 4.319397 437.2950 5.537460 437.7771 6.359802 438.2592 6.669777 438.7414 6.712898 439.2235 6.353691 439.7056 5.796326 440.1877 5.673317 440.6698 6.280586 441.1519 7.130470 441.6341 7.247192 442.1162 6.045578 442.5983 5.407730 443.0804 6.003334 443.5625 6.785866 444.0446 6.997513 444.5268 6.613327 445.0089 5.931641 445.4910 5.057388 445.9731 4.098030 446.4552 4.180412 446.9373 6.762589 447.4195 8.663536 447.9016 9.176697 448.3837 8.886230 448.8658 8.341232 449.3479 7.748260 449.8300 7.086739 450.3122 6.232498 450.7943 4.999435 451.2764 4.219246 451.7585 4.112335 452.2406 4.206146 452.7227 4.525803 453.2049 4.925095 453.6870 5.064613 454.1691 4.570427 454.6512 3.772545 455.1333 3.843437 455.6154 5.273003 456.0976 6.135490 456.5797 4.702278 457.0618 3.113892 457.5439 3.483681 458.0260 6.071373 458.5081 8.334579 458.9903 7.661644 459.4724 4.896179 459.9545 3.421577 460.4366 3.981270 460.9187 5.049538 461.4008 5.670624 461.8830 5.850533 462.3651 5.597031 462.8472 4.480217 463.3293 3.348961 463.8114 2.815857 464.2935 2.812698 464.7756 3.217552 465.2578 4.114395 465.7399 5.081985 466.2220 5.250954 466.7041 4.249252 467.1862 3.667809 467.6683 4.294571 468.1505 5.263664 468.6326 5.804947 469.1147 5.839371 469.5968 5.549561 470.0789 4.986847 470.5610 4.254120 471.0432 4.044182 471.5253 4.907532 472.0074 5.597122 472.4895 6.306183 472.9716 6.642059 473.4537 5.899712 473.9359 4.099991 474.4180 2.308167 474.9001 1.853416 475.3822 2.911713 475.8643 4.085648 476.3464 5.933357 476.8286 7.256859 477.3107 7.591553 477.7928 7.177528 478.2749 6.244553 478.7570 4.727997 479.2391 3.260651 479.7213 3.233612 480.2034 4.951157 480.6855 5.874565 481.1676 4.690346 481.6497 3.222443 482.1318 3.186707 482.6140 4.408508 483.0961 5.263054 483.5782 4.193535 484.0603 2.597755 484.5424 3.151207 485.0245 6.028839 485.5067 8.090492 485.9888 7.070114 486.4709 4.376518 486.9530 3.862198 487.4351 6.760132 487.9172 8.979324 488.3994 8.758568 488.8815 7.216888 489.3636 5.632149 489.8457 4.291672 490.3278 3.267258 490.8099 2.683540 491.2921 2.596413 491.7742 3.252243 492.2563 5.597961 492.7384 7.430275 493.2205 7.902069 493.7026 7.486458 494.1848 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