#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:29:14 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1137 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000560.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_1000560 loop_ _publ_author_name 'Merlino, S.' 'Orlandi, P.' _publ_section_title ; Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: their chemical compositions, physical properties and structural features ; _journal_name_full 'American Mineralogist' _journal_page_first 1293 _journal_page_last 1301 _journal_volume 86 _journal_year 2001 _chemical_compound_source R130410 _chemical_formula_sum 'C H2 Al0.333 O5 Zn0.667' _chemical_name_mineral Zaccagnaite _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 3.0725 _cell_length_b 3.0725 _cell_length_c 15.114 _cell_volume 123.565 _exptl_crystal_density_diffrn 3.941 _cod_original_formula_sum '(Al.333 Zn.667) O5 C H2' _cod_database_code 9002646 _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 R130410.rod _rod_data_source.block 3500000 _rod_database.code 1000560 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 9002646 COD http://www.crystallography.net/cod/9002646.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 94.09229 0.0000000E+00 94.57440 9.479736 95.05651 16.28369 95.53863 17.05432 96.02074 16.22290 96.50286 11.36316 96.98498 6.010986 97.46709 0.3394780 97.94921 0.7730710 98.43133 8.776855 98.91344 19.37695 99.39556 30.99951 99.87768 43.32031 100.3598 57.02759 100.8419 74.93518 101.3240 96.51379 101.8061 119.1774 102.2883 142.2505 102.7704 158.5199 103.2525 166.1401 103.7346 166.0883 104.2167 160.2052 104.6988 147.6307 105.1810 130.8342 105.6631 112.3382 106.1452 92.63055 106.6273 72.52429 107.1094 54.03284 107.5915 37.09491 108.0737 22.88727 108.5558 11.49805 109.0379 3.345154 109.5200 1.828247 110.0021 4.107971 110.4842 3.355530 110.9664 2.106628 111.4485 0.5065920 111.9306 1.569885 112.4127 4.571838 112.8948 8.401917 113.3769 12.59454 113.8591 16.48254 114.3412 20.36334 114.8233 23.21423 115.3054 24.28235 115.7875 24.91846 116.2696 26.62518 116.7517 30.00281 117.2339 34.10883 117.7160 36.25629 118.1981 35.55634 118.6802 35.14124 119.1623 36.51910 119.6444 38.91394 120.1266 40.09735 120.6087 38.69623 121.0908 35.64655 121.5729 33.20923 122.0550 31.98065 122.5371 30.73254 123.0193 28.57367 123.5014 23.90527 123.9835 19.94226 124.4656 18.08533 124.9477 17.25403 125.4298 17.07355 125.9120 16.67572 126.3941 16.50653 126.8762 17.41742 127.3583 20.05267 127.8404 23.08606 128.3225 25.96332 128.8047 28.87848 129.2868 32.15417 129.7689 35.94495 130.2510 40.23145 130.7331 44.83661 131.2152 50.45331 131.6974 55.69397 132.1795 59.89172 132.6616 63.42908 133.1437 67.20715 133.6258 72.20850 134.1079 78.83325 134.5901 84.12878 135.0722 87.60559 135.5543 90.45081 136.0364 93.50140 136.5185 96.77551 137.0006 99.54352 137.4828 101.0245 137.9649 101.0791 138.4470 99.79999 138.9291 97.16302 139.4112 93.20062 139.8933 87.64008 140.3755 80.23560 140.8576 72.07288 141.3397 64.43396 141.8218 57.26935 142.3039 50.42572 142.7860 43.61340 143.2681 37.02551 143.7503 31.32104 144.2324 26.80420 144.7145 23.17157 145.1966 20.08124 145.6787 17.52905 146.1608 15.18732 146.6430 12.60199 147.1251 9.662292 147.6072 7.493347 148.0893 7.006775 148.5714 6.921082 149.0535 6.885132 149.5357 6.760193 150.0178 6.052307 150.4999 3.832764 150.9820 0.9901120 151.4641 5.019470 151.9462 5.228821 152.4284 4.975403 152.9105 4.954407 153.3926 5.399353 153.8747 6.067871 154.3568 6.295654 154.8389 5.448303 155.3211 4.838562 155.8032 4.896301 156.2853 4.989685 156.7674 4.378357 157.2495 2.674133 157.7316 0.1032710 158.2138 2.358459 158.6959 4.801270 159.1780 6.982910 159.6601 8.782227 160.1422 10.24884 160.6243 11.48596 161.1065 12.49396 161.5886 13.38995 162.0707 14.61865 162.5528 16.27411 163.0349 18.14130 163.5170 19.99524 163.9991 21.87689 164.4813 24.15051 164.9634 27.30957 165.4455 31.00574 165.9276 34.32019 166.4097 36.88007 166.8918 39.19122 167.3740 41.71149 167.8561 44.55481 168.3382 47.83069 168.8203 52.02942 169.3024 56.56763 169.7845 60.67657 170.2667 63.83777 170.7488 66.46161 171.2309 69.50653 171.7130 73.11188 172.1951 76.87598 172.6772 80.81116 173.1594 84.75079 173.6415 88.45087 174.1236 91.68085 174.6057 94.58527 175.0878 97.95990 175.5699 102.7222 176.0521 106.8646 176.5342 109.5060 177.0163 111.1923 177.4984 112.8621 177.9805 115.1976 178.4626 118.1964 178.9448 121.1246 179.4269 124.2021 179.9090 127.0110 180.3911 129.4764 180.8732 131.5399 181.3553 133.0338 181.8375 133.7223 182.3196 133.4364 182.8017 134.3180 183.2838 136.8334 183.7659 139.8033 184.2480 142.8196 184.7301 145.8069 185.2123 148.7068 185.6944 151.3434 186.1765 153.6353 186.6586 156.7812 187.1407 161.2903 187.6228 166.2265 188.1050 170.7920 188.5871 174.9119 189.0692 179.3072 189.5513 184.8292 190.0334 191.4380 190.5155 197.8420 190.9977 203.5652 191.4798 209.1597 191.9619 215.2991 192.4440 222.1132 192.9261 229.2091 193.4082 236.2607 193.8904 243.3092 194.3725 250.4792 194.8546 257.7901 195.3367 265.2703 195.8188 272.8371 196.3009 280.1557 196.7831 288.3516 197.2652 298.4004 197.7473 309.9086 198.2294 321.8848 198.7115 333.7959 199.1936 345.8073 199.6758 358.4331 200.1579 371.5266 200.6400 385.6825 201.1221 401.1301 201.6042 417.6719 202.0863 434.6700 202.5685 451.7925 203.0506 469.0532 203.5327 486.1960 204.0148 502.3997 204.4969 519.3509 204.9790 538.8542 205.4612 559.6554 205.9433 579.0430 206.4254 594.5317 206.9075 605.9548 207.3896 616.7845 207.8717 629.1799 208.3539 638.8675 208.8360 644.5977 209.3181 646.1353 209.8002 643.9810 210.2823 638.3957 210.7644 629.4500 211.2466 616.4344 211.7287 597.9330 212.2108 577.2260 212.6929 554.9199 213.1750 531.4436 213.6571 507.0285 214.1393 481.7786 214.6214 455.3799 215.1035 430.7593 215.5856 407.8822 216.0677 386.2798 216.5498 365.2382 217.0320 345.0696 217.5141 326.7385 217.9962 311.4067 218.4783 299.4890 218.9604 287.8849 219.4425 276.3038 219.9247 265.1688 220.4068 254.5790 220.8889 244.5964 221.3710 235.4683 221.8531 227.5155 222.3352 220.8712 222.8174 214.3525 223.2995 207.2449 223.7816 200.7584 224.2637 196.2121 224.7458 193.5653 225.2279 191.1407 225.7100 187.4155 226.1922 182.6420 226.6743 178.7613 227.1564 176.2781 227.6385 174.5016 228.1206 173.0389 228.6027 171.9190 229.0849 170.7177 229.5670 168.8343 230.0491 166.5781 230.5312 164.9130 231.0133 164.3939 231.4954 164.3816 231.9776 164.2026 232.4597 163.8374 232.9418 163.3222 233.4239 162.8062 233.9060 162.1322 234.3881 160.9419 234.8703 158.8006 235.3524 156.3646 235.8345 154.5129 236.3166 153.3070 236.7987 152.3597 237.2808 151.6911 237.7630 151.1343 238.2451 150.4317 238.7272 149.4069 239.2093 148.2758 239.6914 147.4387 240.1735 146.9855 240.6557 146.5549 241.1378 146.4500 241.6199 146.1401 242.1020 144.8924 242.5841 142.2520 243.0662 139.0285 243.5484 136.6806 244.0305 135.5548 244.5126 134.5262 244.9947 133.9783 245.4768 132.9911 245.9589 130.5068 246.4410 126.1048 246.9232 120.9020 247.4053 116.8456 247.8874 114.5916 248.3695 111.9576 248.8516 108.2594 249.3337 104.2619 249.8159 100.6590 250.2980 97.63901 250.7801 94.70776 251.2622 90.90149 251.7443 85.68701 252.2264 80.84177 252.7086 76.39725 253.1907 72.39371 253.6728 69.05765 254.1549 66.37177 254.6370 63.79572 255.1191 60.33005 255.6013 55.07352 256.0834 50.96365 256.5655 48.96136 257.0476 47.25885 257.5297 44.37863 258.0118 40.20389 258.4940 35.95349 258.9761 33.41672 259.4582 33.71503 259.9403 32.89383 260.4224 30.25394 260.9045 27.27255 261.3867 24.69958 261.8688 22.68561 262.3509 21.14841 262.8330 20.05435 263.3151 19.66037 263.7972 18.74316 264.2794 16.86078 264.7615 14.93445 265.2436 13.38321 265.7257 12.27710 266.2078 11.56381 266.6899 11.25992 267.1721 11.49695 267.6542 11.29056 268.1363 10.33319 268.6184 9.312103 269.1005 8.501129 269.5826 7.925140 270.0648 7.553406 270.5469 7.406525 271.0290 7.506134 271.5111 7.224884 271.9932 6.322113 272.4753 5.361694 272.9575 4.427582 273.4396 3.613953 273.9217 3.145599 274.4038 3.219147 274.8859 3.778992 275.3680 4.165802 275.8501 4.469696 276.3322 4.548615 276.8144 4.160004 277.2965 3.502502 277.7786 3.050507 278.2607 3.102966 278.7428 3.495667 279.2249 3.495087 279.7071 2.900696 280.1892 2.261810 280.6713 1.520203 281.1534 0.8079220 281.6355 0.4697880 282.1176 0.7192380 282.5998 1.287689 283.0819 1.474731 283.5640 1.111145 284.0461 0.7507020 284.5282 0.6145940 285.0103 0.5260010 285.4925 0.1478270 285.9746 0.6651610 286.4567 1.583221 286.9388 1.999115 287.4209 1.718048 287.9030 1.633911 288.3852 2.058350 288.8673 2.680450 289.3494 3.113586 289.8315 3.268372 290.3136 3.311401 290.7957 3.468323 291.2779 3.770142 291.7600 3.921143 292.2421 3.823090 292.7242 3.602051 293.2063 3.311981 293.6884 2.967255 294.1706 2.742065 294.6527 2.876099 295.1348 3.367493 295.6169 3.580231 296.0990 3.286469 296.5811 2.854614 297.0633 2.532684 297.5454 2.333801 298.0275 2.247345 298.5096 2.380676 298.9917 2.614166 299.4738 2.350189 299.9560 0.8923030 300.4381 0.4226380 300.9202 0.6318970 301.4023 5.5114999E-02 301.8844 0.6536870 302.3665 0.6507260 302.8487 0.2052610 303.3308 0.1558530 303.8129 0.3617860 304.2950 0.6031490 304.7771 0.8446660 305.2592 1.176819 305.7414 1.946716 306.2235 3.445587 306.7056 5.142303 307.1877 5.874817 307.6698 5.416718 308.1519 5.143250 308.6341 5.799530 309.1162 6.867615 309.5983 7.374176 310.0804 6.997314 310.5625 6.348541 311.0446 6.208069 311.5268 6.557526 312.0089 7.129456 312.4910 8.337463 312.9731 9.526703 313.4552 9.757233 313.9373 8.863007 314.4195 7.772675 314.9016 7.319458 315.3837 7.477966 315.8658 7.643433 316.3479 7.843567 316.8300 7.979279 317.3121 7.836548 317.7943 7.449829 318.2764 7.331482 318.7585 8.020233 319.2406 9.224304 319.7227 9.630127 320.2048 8.585327 320.6870 7.429169 321.1691 6.971741 321.6512 7.036896 322.1333 6.956238 322.6154 6.354584 323.0975 5.509003 323.5797 5.166992 324.0618 5.543549 324.5439 5.860718 325.0260 5.820496 325.5081 5.538605 325.9902 5.219208 326.4724 4.919373 326.9545 4.622742 327.4366 4.271545 327.9187 3.827118 328.4008 3.537872 328.8829 3.460083 329.3651 3.556396 329.8472 3.993408 330.3293 4.799988 330.8114 5.254425 331.2935 4.414063 331.7756 2.155334 332.2578 0.6945190 332.7399 0.6206050 333.2220 0.9787600 333.7041 1.113800 334.1862 1.012665 334.6683 0.9735720 335.1505 1.269287 335.6326 1.803406 336.1147 1.897949 336.5968 1.168701 337.0789 0.4630740 337.5610 2.1667000E-02 338.0432 0.2202150 338.5253 0.1346440 339.0074 1.276306 339.4895 2.791962 339.9716 3.478912 340.4537 2.717499 340.9359 2.383575 341.4180 3.151276 341.9001 4.423553 342.3822 5.441376 342.8643 5.985962 343.3464 6.313629 343.8286 6.685791 344.3107 7.045197 344.7928 7.519623 345.2749 8.129608 345.7570 8.903229 346.2391 9.890259 346.7213 11.05081 347.2034 12.24921 347.6855 13.36472 348.1676 14.40604 348.6497 15.37616 349.1318 16.00089 349.6140 16.83041 350.0961 18.28656 350.5782 20.14856 351.0603 21.84412 351.5424 22.99307 352.0245 23.79916 352.5067 25.17792 352.9888 27.92090 353.4709 30.22076 353.9530 31.32031 354.4351 32.11465 354.9172 33.81415 355.3994 36.80539 355.8815 40.24493 356.3636 42.67764 356.8457 43.24261 357.3278 44.54779 357.8099 47.07837 358.2920 50.00845 358.7741 52.69345 359.2563 55.08252 359.7384 57.54910 360.2205 60.58386 360.7026 64.33984 361.1847 67.39124 361.6668 69.00961 362.1490 70.70468 362.6311 73.28394 363.1132 76.28964 363.5953 78.71811 364.0774 79.92557 364.5595 80.22964 365.0417 81.01047 365.5238 83.14630 366.0059 84.50525 366.4880 84.50729 366.9701 83.83630 367.4522 83.21426 367.9344 82.85419 368.4165 82.34998 368.8986 81.04465 369.3807 78.74582 369.8628 76.14783 370.3449 72.75946 370.8271 69.52991 371.3092 67.31863 371.7913 65.86652 372.2734 63.90506 372.7555 59.94452 373.2376 54.10342 373.7198 50.08871 374.2019 49.56323 374.6840 48.90118 375.1661 46.83817 375.6482 43.87582 376.1303 40.73666 376.6125 37.62732 377.0946 34.84531 377.5767 33.21005 378.0588 33.21985 378.5409 32.93665 379.0230 31.49890 379.5052 29.76611 379.9873 28.36978 380.4694 27.43326 380.9515 26.70068 381.4336 25.91959 381.9157 25.09436 382.3979 24.41721 382.8800 23.90884 383.3621 23.57028 383.8442 23.51312 384.3263 23.63599 384.8084 23.57333 385.2906 22.85483 385.7727 21.86255 386.2548 21.57449 386.7369 22.19543 387.2190 22.78970 387.7011 22.74051 388.1833 22.35477 388.6654 22.05585 389.1475 21.98502 389.6296 21.88391 390.1117 21.54788 390.5938 20.99393 391.0760 20.32071 391.5581 19.57111 392.0402 18.68253 392.5223 17.59488 393.0044 16.32275 393.4865 14.86472 393.9687 13.05798 394.4508 11.11417 394.9329 9.384277 395.4150 7.896881 395.8971 6.566284 396.3792 5.345337 396.8614 4.240875 397.3435 3.198975 397.8256 1.979126 398.3077 1.001617 398.7898 0.8114010 399.2719 1.168243 399.7540 1.088470 400.2361 7.0037998E-02 400.7183 1.751007 401.2004 2.227386 401.6825 0.6800840 402.1646 0.4297790 402.6467 5.6090999E-02 403.1288 0.6901860 403.6110 0.2936400 404.0931 1.520813 404.5752 3.510101 405.0573 4.131927 405.5394 2.952545 406.0215 2.569214 406.5037 3.185089 406.9858 4.289459 407.4679 5.873535 407.9500 7.748199 408.4321 9.554138 408.9142 11.07877 409.3964 12.37256 409.8785 13.69373 410.3606 15.03659 410.8427 16.41208 411.3248 17.59045 411.8069 18.92123 412.2891 20.89581 412.7712 23.57199 413.2533 26.37540 413.7354 28.45779 414.2175 29.54672 414.6996 31.04269 415.1818 33.18359 415.6639 35.51917 416.1460 37.91141 416.6281 40.37180 417.1102 42.93112 417.5923 45.63571 418.0745 48.45129 418.5566 51.36270 419.0387 54.55591 419.5208 57.38956 420.0029 59.55511 420.4850 61.34595 420.9672 63.03894 421.4493 64.70523 421.9314 66.09512 422.4135 67.09915 422.8956 67.69263 423.3777 67.30801 423.8599 65.29831 424.3420 63.05099 424.8241 62.03549 425.3062 61.79443 425.7883 60.61118 426.2704 56.80368 426.7526 52.07477 427.2347 49.06418 427.7168 47.84189 428.1989 47.02557 428.6810 46.09003 429.1631 45.01108 429.6453 43.68356 430.1274 41.75787 430.6095 40.38583 431.0916 40.56732 431.5737 41.62817 432.0558 42.13480 432.5380 41.66464 433.0201 41.08148 433.5022 41.37085 433.9843 42.67053 434.4664 44.27023 434.9485 46.37372 435.4307 48.44434 435.9128 50.00177 436.3949 51.23190 436.8770 52.79825 437.3591 55.13968 437.8412 57.98392 438.3234 60.24725 438.8055 61.10175 439.2876 62.52222 439.7697 64.79214 440.2518 67.53656 440.7339 70.52921 441.2160 73.69205 441.6982 76.95053 442.1803 80.17831 442.6624 83.36102 443.1445 86.53873 443.6266 89.83878 444.1087 92.97559 444.5909 95.69769 445.0730 98.21524 445.5551 100.8686 446.0372 103.8045 446.5193 107.0400 447.0014 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