#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:33:55 +0300 (Thu, 24 May 2018) $ #$Revision: 728 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000233.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_1000233 loop_ _publ_author_name 'Ballirano, P.' 'Bosi, F.' _publ_section_title ; Thermal behavior of afghanite, an ABABACAC member of the cancrinite group ; _journal_name_full 'American Mineralogist' _journal_page_first 630 _journal_page_last 640 _journal_paper_doi 10.2138/am.2012.3898 _journal_volume 97 _journal_year 2012 _chemical_compound_source 'Case Collina, Latium, Italy' _chemical_formula_sum 'Al12 Ca5.515 Cl3 K2.505 Na7.5 O60 S3 Si12' _chemical_name_mineral Afghanite _space_group_IT_number 159 _symmetry_space_group_name_Hall 'P 3 -2c' _symmetry_space_group_name_H-M 'P 3 1 c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 12.7961 _cell_length_b 12.7961 _cell_length_c 21.4094 _cell_volume 3035.920 _exptl_crystal_density_diffrn 2.532 _cod_original_cell_volume 3035.921 _cod_original_formula_sum 'Na7.5 K2.505 Ca5.515 Si12 Al12 O60 S3 Cl3' _cod_database_code 9016533 _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 R060422.rod _rod_data_source.block 3500000 _rod_database.code 1000233 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 9016533 COD http://www.crystallography.net/cod/9016533.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 175.4057 0.0000000E+00 175.8878 3.1036001E-02 176.3699 1.0803000E-02 176.8520 0.4688420 177.3341 1.225372 177.8163 2.048584 178.2984 2.865540 178.7805 3.632599 179.2626 4.437775 179.7447 5.308411 180.2268 5.767914 180.7090 4.890991 181.1911 3.102020 181.6732 1.744354 182.1553 1.620758 182.6374 2.331390 183.1195 3.071228 183.6017 3.800537 184.0838 4.602753 184.5659 5.593994 185.0480 6.745026 185.5301 7.958893 186.0123 9.059937 186.4944 10.17123 186.9765 11.84961 187.4586 14.30450 187.9407 16.73312 188.4228 17.69067 188.9050 17.31857 189.3871 17.18799 189.8692 18.35239 190.3513 20.47784 190.8334 21.95184 191.3155 22.54309 191.7977 22.78082 192.2798 23.72049 192.7619 25.36481 193.2440 26.54092 193.7261 26.32016 194.2082 24.86646 194.6904 24.02213 195.1725 24.00723 195.6546 24.53772 196.1367 25.25400 196.6188 26.21445 197.1009 27.15311 197.5831 27.92276 198.0652 28.42786 198.5473 28.47760 199.0294 28.16751 199.5115 28.16916 199.9937 28.45154 200.4758 29.26874 200.9579 30.08960 201.4400 30.52429 201.9221 30.55569 202.4042 30.87619 202.8864 31.43231 203.3685 31.94272 203.8506 32.22284 204.3327 32.50006 204.8148 32.61847 205.2969 33.10092 205.7791 34.38251 206.2612 34.52469 206.7433 33.58896 207.2254 31.86636 207.7075 29.67593 208.1896 26.73596 208.6718 24.16592 209.1539 22.62048 209.6360 22.28549 210.1181 21.88791 210.6002 21.41568 211.0823 20.89041 211.5645 20.35468 212.0466 19.87738 212.5287 19.23813 213.0108 18.32629 213.4929 17.12512 213.9750 15.66180 214.4572 13.69339 214.9393 11.56659 215.4214 10.34891 215.9035 10.40527 216.3856 10.61322 216.8678 10.38657 217.3499 9.630341 217.8320 8.668243 218.3141 7.307037 218.7962 5.800659 219.2783 5.044342 219.7605 5.337952 220.2426 5.828369 220.7247 6.203003 221.2068 6.756226 221.6889 6.241394 222.1710 4.056702 222.6532 0.9013370 223.1353 0.8996580 223.6174 0.8273010 224.0995 0.2923890 224.5816 2.7679000E-02 225.0637 6.8145998E-02 225.5459 7.0923001E-02 226.0280 2.3468001E-02 226.5101 4.9438000E-02 226.9922 3.9886001E-02 227.4743 0.1947020 227.9564 0.2882390 228.4386 1.6510000E-02 228.9207 0.8301390 229.4028 1.540619 229.8849 2.181091 230.3670 2.668549 230.8492 2.734955 231.3313 2.124695 231.8134 1.483643 232.2955 1.115417 232.7776 1.188538 233.2597 0.8726200 233.7419 0.1708980 234.2240 0.6571040 234.7061 0.8116460 235.1882 0.3237610 235.6703 1.194916 236.1524 1.113464 236.6346 0.2835690 237.1167 1.866058 237.5988 3.821594 238.0809 5.898346 238.5630 7.513947 239.0451 8.469391 239.5273 9.256744 240.0094 10.09961 240.4915 11.18240 240.9736 11.72855 241.4557 11.34894 241.9378 10.59967 242.4200 10.65314 242.9021 11.78549 243.3842 13.30905 243.8663 15.03467 244.3484 17.11523 244.8306 18.92651 245.3127 20.49533 245.7948 21.75281 246.2769 22.43481 246.7590 21.96399 247.2411 21.93149 247.7233 22.96008 248.2054 25.35858 248.6875 27.69727 249.1696 30.16101 249.6517 32.45605 250.1338 34.02780 250.6160 34.54245 251.0981 34.90234 251.5802 35.36243 252.0623 35.93195 252.5444 36.55179 253.0265 37.08255 253.5087 37.76602 253.9908 38.98788 254.4729 41.00888 254.9550 43.07855 255.4371 45.10992 255.9192 47.16083 256.4014 48.53516 256.8835 48.92795 257.3656 48.93130 257.8477 49.25635 258.3298 49.96661 258.8120 50.97620 259.2941 52.47595 259.7762 54.61603 260.2583 55.32828 260.7404 54.00580 261.2225 52.01740 261.7047 50.81088 262.1868 50.65274 262.6689 50.56085 263.1510 50.28552 263.6331 49.84164 264.1152 49.79251 264.5974 50.46271 265.0795 51.01389 265.5616 50.55905 266.0437 48.80444 266.5258 46.95364 267.0079 45.06067 267.4901 43.20398 267.9722 42.28253 268.4543 42.67142 268.9364 43.24753 269.4185 43.05954 269.9006 41.94070 270.3828 40.78265 270.8649 39.61877 271.3470 38.51721 271.8291 37.84863 272.3112 37.73596 272.7933 37.68369 273.2755 37.32159 273.7576 36.60501 274.2397 35.87466 274.7218 35.15881 275.2039 34.44937 275.6860 33.78006 276.1682 33.18692 276.6503 32.45316 277.1324 31.32846 277.6145 29.78125 278.0966 28.59933 278.5787 27.88361 279.0609 27.54016 279.5430 27.39920 280.0251 27.48438 280.5072 27.55679 280.9893 27.67953 281.4715 27.95035 281.9536 27.12341 282.4357 24.61087 282.9178 21.95993 283.3999 22.72952 283.8820 27.17404 284.3642 30.28241 284.8463 28.66452 285.3284 22.85828 285.8105 19.34650 286.2926 18.45255 286.7747 18.70914 287.2569 18.25854 287.7390 17.12833 288.2211 16.06494 288.7032 15.55048 289.1853 15.43896 289.6674 14.88785 290.1496 13.85776 290.6317 12.52228 291.1138 10.88223 291.5959 9.057800 292.0780 7.750977 292.5602 7.373688 293.0423 7.493469 293.5244 7.147858 294.0065 6.387360 294.4886 5.577942 294.9707 4.965729 295.4529 4.467957 295.9350 3.773804 296.4171 2.548431 296.8992 1.311066 297.3813 1.097809 297.8634 1.850403 298.3456 2.890747 298.8277 4.167389 299.3098 5.329102 299.7919 5.436859 300.2740 3.930420 300.7561 1.960175 301.2383 0.7182920 301.7204 0.2189330 302.2025 0.6206670 302.6846 3.240051 303.1667 6.460907 303.6488 7.552032 304.1310 5.523651 304.6131 3.101166 305.0952 3.540375 305.5773 5.850708 306.0594 7.347900 306.5415 5.701782 307.0237 2.985748 307.5058 1.452637 307.9879 1.440491 308.4700 1.769287 308.9521 1.534332 309.4343 1.024017 309.9164 0.7448430 310.3985 1.186127 310.8806 1.753357 311.3627 2.010712 311.8448 1.941223 312.3270 1.704376 312.8091 1.194946 313.2912 0.6587520 313.7733 0.4112850 314.2554 0.8569640 314.7375 1.216858 315.2197 0.5599980 315.7018 0.8389280 316.1839 1.068237 316.6660 1.794403 317.1481 5.642212 317.6302 8.715057 318.1124 10.47098 318.5945 11.66840 319.0766 12.72852 319.5587 13.45102 320.0408 13.24628 320.5229 10.94785 321.0051 8.350769 321.4872 6.379211 321.9693 5.082184 322.4514 4.735107 322.9335 5.858215 323.4156 7.886322 323.8978 9.853180 324.3799 11.62292 324.8620 13.28610 325.3441 14.95709 325.8262 16.79666 326.3083 18.12082 326.7905 18.59250 327.2726 18.58334 327.7547 18.65448 328.2368 18.73792 328.7189 19.09567 329.2010 19.91275 329.6832 21.24432 330.1653 22.29590 330.6474 23.32996 331.1295 23.89120 331.6116 23.49240 332.0938 20.62949 332.5759 19.27609 333.0580 20.76944 333.5401 24.54413 334.0222 26.12659 334.5043 24.40567 334.9865 22.03751 335.4686 20.58942 335.9507 20.36176 336.4328 20.26257 336.9149 20.31421 337.3970 20.45316 337.8792 20.44565 338.3613 20.14890 338.8434 19.72629 339.3255 19.28882 339.8076 18.84409 340.2898 18.31750 340.7719 17.63150 341.2540 17.00446 341.7361 16.92636 342.2182 17.49411 342.7003 17.66553 343.1825 16.87985 343.6646 15.32568 344.1467 14.35019 344.6288 14.02313 345.1109 13.88525 345.5930 13.33890 346.0752 12.45734 346.5573 12.04547 347.0394 12.53979 347.5215 13.40280 348.0036 13.36530 348.4857 12.43854 348.9679 11.36298 349.4500 10.62433 349.9321 10.16110 350.4142 9.839813 350.8963 9.708557 351.3784 9.541809 351.8606 8.776123 352.3427 7.637238 352.8248 6.958801 353.3069 7.887695 353.7890 9.300110 354.2711 9.375702 354.7533 7.809265 355.2354 6.443298 355.7175 7.384064 356.1996 9.561554 356.6817 11.10287 357.1638 10.83960 357.6460 9.908630 358.1281 9.107391 358.6102 8.425964 359.0923 7.637695 359.5744 6.269653 360.0565 4.904694 360.5387 4.137512 361.0208 4.507202 361.5029 5.003082 361.9850 5.237183 362.4671 5.243683 362.9492 5.130829 363.4314 4.886993 363.9135 4.577911 364.3956 4.191162 364.8777 3.607697 365.3598 3.225861 365.8419 3.429657 366.3241 3.839752 366.8062 3.872253 367.2883 3.099060 367.7704 2.272766 368.2526 1.576050 368.7347 1.021118 369.2168 0.5541690 369.6989 0.2917790 370.1810 3.4485001E-02 370.6631 0.4136050 371.1453 1.552155 371.6274 2.113770 372.1095 1.650085 372.5916 0.3755800 373.0737 0.2097470 373.5558 0.2763060 374.0380 0.9287720 374.5201 1.139343 375.0022 0.7485050 375.4843 0.6914060 375.9664 1.175385 376.4485 1.864899 376.9307 2.067291 377.4128 1.704559 377.8949 1.198578 378.3770 0.6406250 378.8591 5.5023000E-02 379.3412 0.1292110 379.8234 0.2161560 380.3055 0.5114750 380.7876 0.1331790 381.2697 1.656616 381.7518 2.711578 382.2339 2.910217 382.7161 2.441528 383.1982 1.423676 383.6803 0.1042790 384.1624 1.187805 384.6445 0.6481320 385.1266 0.8739010 385.6088 1.685242 386.0909 1.361145 386.5730 0.8167720 387.0551 1.063049 387.5372 1.943665 388.0193 3.029327 388.5015 4.639709 388.9836 6.036407 389.4657 6.214966 389.9478 5.088959 390.4299 3.847809 390.9120 2.988983 391.3942 2.579773 391.8763 2.726959 392.3584 4.520081 392.8405 5.868530 393.3226 5.356995 393.8047 3.351929 394.2869 1.527374 394.7690 0.2353520 395.2511 1.089478 395.7332 0.2587890 396.2154 3.603271 396.6975 6.572571 397.1796 7.432190 397.6617 6.970825 398.1438 6.544769 398.6259 6.233734 399.1081 6.074951 399.5902 6.028046 400.0723 6.049469 400.5544 6.480774 401.0365 7.845306 401.5186 9.224792 402.0008 9.789764 402.4829 8.904968 402.9650 8.406158 403.4471 8.535583 403.9292 9.200958 404.4113 10.08917 404.8935 11.40857 405.3756 12.49188 405.8577 12.90372 406.3398 12.52908 406.8219 12.25836 407.3040 12.01559 407.7862 12.05655 408.2683 12.99896 408.7504 14.88580 409.2325 16.39334 409.7146 16.72922 410.1967 16.42270 410.6789 17.44260 411.1610 19.83707 411.6431 22.60471 412.1252 25.37827 412.6073 27.85950 413.0894 28.87827 413.5716 27.64514 414.0537 26.09286 414.5358 26.68759 415.0179 28.96823 415.5000 31.47452 415.9821 33.74036 416.4643 35.60635 416.9464 36.60684 417.4285 36.61578 417.9106 36.96164 418.3927 38.69821 418.8748 41.19586 419.3570 43.66461 419.8391 46.02167 420.3212 48.14426 420.8033 49.81708 421.2854 51.16245 421.7675 52.78662 422.2497 55.08698 422.7318 57.56851 423.2139 59.97427 423.6960 62.30707 424.1781 64.51328 424.6602 66.64624 425.1424 68.62650 425.6245 70.28998 426.1066 71.05847 426.5887 72.24139 427.0709 74.48236 427.5530 77.77832 428.0351 79.49542 428.5172 78.64844 428.9993 77.56860 429.4814 78.16803 429.9636 81.12537 430.4457 83.39536 430.9278 84.31952 431.4099 84.58371 431.8920 85.81985 432.3741 88.21918 432.8563 90.98672 433.3384 93.69623 433.8205 96.39725 434.3026 99.62201 434.7847 103.4485 435.2668 107.5026 435.7490 111.5209 436.2311 115.5078 436.7132 119.2162 437.1953 122.4217 437.6774 125.5282 438.1595 129.1504 438.6417 133.2154 439.1238 137.2595 439.6059 140.9909 440.0880 144.6400 440.5701 148.4816 441.0522 152.5997 441.5344 156.7090 442.0165 160.5686 442.4986 164.3340 442.9807 168.0531 443.4628 171.4928 443.9449 175.1348 444.4271 179.4157 444.9092 184.1595 445.3913 188.4586 445.8734 191.3569 446.3555 194.2773 446.8376 197.8750 447.3198 202.2833 447.8019 207.2598 448.2840 213.8364 448.7661 220.4843 449.2482 224.9470 449.7303 225.8770 450.2125 226.8739 450.6946 228.9140 451.1767 231.8726 451.6588 233.8038 452.1409 234.7906 452.6230 234.5820 453.1052 232.6382 453.5873 228.8947 454.0694 225.8186 454.5515 223.9088 455.0337 221.9761 455.5158 217.5015 455.9979 210.6602 456.4800 204.6300 456.9621 201.4238 457.4442 199.7250 457.9264 196.3802 458.4085 191.4487 458.8906 185.9666 459.3727 180.6209 459.8548 175.3553 460.3369 170.1948 460.8191 165.1264 461.3012 160.0881 461.7833 155.0636 462.2654 150.0244 462.7475 144.9272 463.2296 139.5421 463.7118 134.2042 464.1939 129.2549 464.6760 124.6784 465.1581 119.6859 465.6402 113.4992 466.1223 107.1471 466.6045 101.4261 467.0866 97.05441 467.5687 92.55817 468.0508 87.49451 468.5329 82.25607 469.0150 77.73053 469.4972 74.70593 469.9793 71.24292 470.4614 66.38361 470.9435 59.97437 471.4256 55.53040 471.9077 53.68915 472.3899 52.55734 472.8720 50.38068 473.3541 47.01874 473.8362 44.14578 474.3183 42.14236 474.8004 40.47275 475.2826 37.95697 475.7647 34.65808 476.2468 31.49188 476.7289 28.89536 477.2110 26.75327 477.6931 24.85080 478.1753 23.17468 478.6574 21.77225 479.1395 21.13837 479.6216 20.67471 480.1037 19.40643 480.5858 16.65930 481.0680 13.84717 481.5501 11.98697 482.0322 10.77328 482.5143 9.582214 482.9964 8.062073 483.4786 6.612305 483.9607 5.498962 484.4428 4.778320 484.9249 3.904205 485.4070 2.556915 485.8892 1.165375 486.3713 3.5431001E-02 486.8534 0.7030330 487.3355 1.384399 487.8176 2.297668 488.2997 3.068237 488.7819 2.723877 489.2640 0.5588070 489.7461 1.102173 490.2282 1.321594 490.7103 0.2070920 491.1924 0.3915410 491.6746 0.4077450 492.1567 0.2109990 492.6388 3.1311002E-02 493.1209 0.2753600 493.6030 6.2896997E-02 494.0851 0.7151180 494.5673 1.828644 495.0494 3.355591 495.5315 5.041901 496.0136 5.929199 496.4957 4.877747 496.9778 3.211029 497.4600 2.347504 497.9421 2.244965 498.4242 2.338989 498.9063 2.615936 499.3884 2.749207 499.8705 2.351807 500.3527 1.034973 500.8348 1.6144000E-02 501.3169 5.0811999E-02 501.7990 0.3638610 502.2811 0.4240720 502.7632 0.3670040 503.2454 1.143799 503.7275 1.801453 504.2096 2.327087 504.6917 2.572998 505.1738 2.270721 505.6559 2.052094 506.1381 2.199829 506.6202 2.685089 507.1023 3.681702 507.5844 5.198090 508.0665 7.212891 508.5486 10.00702 509.0308 13.62738 509.5129 16.32764 509.9950 17.22598 510.4771 17.37112 510.9592 19.15933 511.4413 22.45068 511.9235 26.03647 512.4056 29.08841 512.8877 31.95599 513.3698 35.26807 513.8519 39.08688 514.3340 43.01117 514.8162 46.80066 515.2983 50.50806 515.7804 54.18024 516.2625 57.54135 516.7446 61.27072 517.2267 65.74750 517.7089 70.78821 518.1910 75.88730 518.6731 80.21313 519.1552 85.30341 519.6373 91.92035 520.1194 100.2655 520.6016 108.2269 521.0837 115.1919 521.5658 122.3365 522.0479 130.5079 522.5300 139.7429 523.0121 149.4807 523.4943 159.5142 523.9764 170.2473 524.4585 182.6337 524.9406 196.4781 525.4227 211.0186 525.9048 226.0754 526.3870 241.5222 526.8691 257.3635 527.3513 273.6855 527.8334 290.5551 528.3155 308.0517 528.7976 326.3427 529.2797 345.5917 529.7618 365.8486 530.2440 387.5811 530.7261 411.1015 531.2082 436.1865 531.6903 462.0937 532.1724 489.4794 532.6545 516.9998 533.1367 544.9922 533.6188 573.0504 534.1009 600.8105 534.5830 627.0648 535.0651 653.8877 535.5472 682.1404 536.0294 712.6104 536.5115 740.7363 536.9936 766.6071 537.4757 790.0339 537.9578 810.8136 538.4399 829.1373 538.9221 844.9050 539.4042 858.5938 539.8863 869.1984 540.3684 874.8313 540.8505 875.6321 541.3326 873.3338 541.8148 869.7656 542.2969 862.9055 542.7790 848.3182 543.2611 826.4872 543.7432 800.9824 544.2253 774.1241 544.7075 744.8887 545.1896 711.7894 545.6717 674.2080 546.1538 635.0789 546.6359 594.9426 547.1180 554.4949 547.6002 514.8255 548.0823 474.8826 548.5644 436.9922 549.0465 401.3527 549.5286 367.9028 550.0107 336.4390 550.4929 306.6765 550.9750 279.3051 551.4571 254.4255 551.9392 231.9202 552.4213 212.5452 552.9034 196.5323 553.3856 182.4269 553.8677 169.4113 554.3498 157.5582 554.8319 146.2940 555.3140 135.4062 555.7961 125.3626 556.2783 117.2921 556.7604 110.6981 557.2425 104.2848 557.7246 97.17621 558.2067 90.55286 558.6888 85.62482 559.1710 82.09912 559.6531 79.21277 560.1352 77.11658 560.6173 75.25818 561.0994 73.28491 561.5815 71.12775 562.0637 69.03296 562.5458 66.92468 563.0279 64.98175 563.5100 63.30725 563.9921 61.96753 564.4742 60.74896 564.9564 59.58002 565.4385 58.56793 565.9206 57.83618 566.4027 57.31842 566.8848 57.44745 567.3669 58.58148 567.8491 60.32043 568.3312 61.27551 568.8133 61.46857 569.2954 61.62091 569.7775 62.24481 570.2596 63.12799 570.7418 63.76501 571.2239 64.12238 571.7060 64.72754 572.1881 66.19946 572.6702 68.03955 573.1523 69.65704 573.6345 70.47076 574.1166 71.80786 574.5987 75.06323 575.0808 78.96100 575.5629 81.43427 576.0450 81.31641 576.5272 80.55963 577.0093 79.23816 577.4914 77.49042 577.9735 76.26965 578.4556 75.91028 578.9377 75.41193 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