#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:34:32 +0300 (Thu, 24 May 2018) $ #$Revision: 905 $ #$URL: svn://172.16.1.111/rod/cif/2/10/00/2100034.rod $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2100034 loop_ _publ_author_name 'Alberti, A.' 'Vezzalini, G.' _publ_section_title ; The crystal structure of amicite, a zeolite Locality: basaltic rock at Howenegg in Hegau, southern West Germany ; _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 2866 _journal_page_last 2869 _journal_paper_doi 10.1107/S0567740879010852 _journal_volume 35 _journal_year 1979 _chemical_compound_source R080066 _chemical_formula_sum 'Al2 H6 K Na O10.765 Si2' _chemical_name_mineral Amicite _space_group_IT_number 5 _symmetry_space_group_name_Hall 'I 2y' _symmetry_space_group_name_H-M 'I 1 2 1' _cell_angle_alpha 90 _cell_angle_beta 88.19 _cell_angle_gamma 90 _cell_length_a 10.226 _cell_length_b 10.422 _cell_length_c 9.884 _cell_volume 1052.865 _exptl_crystal_density_diffrn 2.211 _cod_original_formula_sum 'K Na Al2 Si2 O10.765 H6' _cod_database_code 9007633 _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 R080066.rod _rod_data_source.block 3500000 _rod_database.code 2100034 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 9007633 COD http://www.crystallography.net/cod/9007633.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 124.8252 0.0000000E+00 125.3074 6.645508 125.7895 12.38846 126.2716 17.07315 126.7537 19.84332 127.2358 22.89258 127.7179 24.65933 128.2001 26.27942 128.6822 31.55829 129.1643 31.06796 129.6464 23.94586 130.1285 16.81754 130.6107 11.21555 131.0928 6.266602 131.5749 1.925568 132.0570 1.564850 132.5391 3.544952 133.0212 3.310181 133.5034 0.5150450 133.9855 2.430023 134.4676 4.890503 134.9497 7.949585 135.4318 12.41199 135.9139 18.25897 136.3960 24.73337 136.8782 31.06958 137.3603 37.28641 137.8424 43.08441 138.3245 48.40393 138.8066 53.29544 139.2887 57.80484 139.7709 61.94888 140.2530 65.60565 140.7351 68.29465 141.2172 70.10123 141.6993 72.18289 142.1814 75.33801 142.6636 79.22665 143.1457 82.60159 143.6278 85.00107 144.1099 86.95633 144.5920 88.75885 145.0741 90.43765 145.5563 92.51736 146.0384 95.45416 146.5205 99.27789 147.0026 103.6526 147.4847 108.8361 147.9668 114.3907 148.4490 120.1805 148.9311 126.1400 149.4132 132.2370 149.8953 138.3986 150.3774 144.6323 150.8595 150.9934 151.3417 157.2354 151.8238 163.6791 152.3059 170.6060 152.7880 178.0754 153.2701 186.0044 153.7522 194.0905 154.2344 202.1493 154.7165 210.5921 155.1986 220.2982 155.6807 230.1815 156.1628 238.8774 156.6449 245.6513 157.1271 250.8280 157.6092 255.6106 158.0913 260.4301 158.5734 264.5414 159.0555 268.0248 159.5376 270.6744 160.0198 271.9918 160.5019 271.7729 160.9840 269.7722 161.4661 266.0251 161.9482 260.1194 162.4303 253.0397 162.9125 245.1717 163.3946 236.5427 163.8767 227.7223 164.3588 218.9531 164.8409 210.2853 165.3230 201.6872 165.8052 193.0665 166.2873 184.6363 166.7694 176.5888 167.2515 168.6105 167.7336 162.0508 168.2157 158.3114 168.6979 156.0478 169.1800 153.6986 169.6621 150.3772 170.1442 146.7155 170.6263 144.5606 171.1084 144.7625 171.5906 145.2484 172.0727 145.2780 172.5548 145.1246 173.0369 145.1650 173.5190 145.6165 174.0011 146.4619 174.4833 147.5684 174.9654 149.3877 175.4475 151.0280 175.9296 152.0924 176.4117 152.8398 176.8938 153.8105 177.3760 155.4761 177.8581 157.8739 178.3402 159.4675 178.8223 159.1776 179.3044 159.2662 179.7865 160.6599 180.2687 163.1661 180.7508 166.0444 181.2329 168.6840 181.7150 171.0560 182.1971 173.4834 182.6792 175.8215 183.1614 178.5096 183.6435 182.1564 184.1256 186.7076 184.6077 191.4370 185.0898 195.5792 185.5719 199.1250 186.0541 203.5661 186.5362 209.8932 187.0183 216.4548 187.5004 221.4730 187.9825 224.6998 188.4646 227.7769 188.9468 232.7155 189.4289 238.9391 189.9110 244.0538 190.3931 247.5934 190.8752 249.9167 191.3573 251.3563 191.8395 251.5683 192.3216 251.1573 192.8037 250.9510 193.2858 250.6691 193.7679 249.3462 194.2500 246.2119 194.7322 241.6733 195.2143 237.0545 195.6964 232.7816 196.1785 227.7118 196.6606 221.1064 197.1427 213.3602 197.6249 205.3858 198.1070 197.6088 198.5891 190.0455 199.0712 182.9016 199.5533 176.5529 200.0354 170.2286 200.5176 163.4977 200.9997 156.5810 201.4818 150.0090 201.9639 144.2972 202.4460 139.4638 202.9281 134.5799 203.4103 129.4353 203.8924 124.4744 204.3745 119.9591 204.8566 115.7621 205.3387 111.6329 205.8208 107.2746 206.3030 102.5612 206.7851 98.67444 207.2672 96.53036 207.7493 94.25975 208.2314 91.12463 208.7135 87.19568 209.1957 82.90146 209.6778 78.52399 210.1599 73.94577 210.6420 70.48532 211.1241 68.94136 211.6062 67.59404 212.0884 65.55127 212.5705 62.83168 213.0526 59.92943 213.5347 57.20221 214.0168 54.66428 214.4989 52.62268 214.9811 51.35109 215.4632 50.30525 215.9453 49.06204 216.4274 47.62093 216.9095 46.38603 217.3916 45.77324 217.8737 45.80228 218.3559 45.66045 218.8380 45.05693 219.3201 44.45023 219.8022 44.28232 220.2843 44.58647 220.7664 44.98981 221.2486 45.21730 221.7307 45.29474 222.2128 45.36296 222.6949 45.63257 223.1770 45.80006 223.6591 45.29027 224.1413 43.94418 224.6234 42.93195 225.1055 43.77769 225.5876 45.52660 226.0697 46.38951 226.5518 45.35426 227.0340 43.47481 227.5161 42.42043 227.9982 42.48642 228.4803 42.32533 228.9624 41.09198 229.4445 39.18684 229.9267 36.99098 230.4088 34.55925 230.8909 32.00238 231.3730 29.57484 231.8551 27.33304 232.3372 25.10878 232.8194 22.70036 233.3015 20.27995 233.7836 18.06839 234.2657 16.21011 234.7478 14.52544 235.2299 12.56689 235.7121 10.07495 236.1942 7.825958 236.6763 5.964279 237.1584 4.438858 237.6405 3.270599 238.1227 2.507034 238.6048 1.931030 239.0869 0.9398350 239.5690 0.9045720 240.0511 2.391388 240.5332 3.178360 241.0154 3.610779 241.4975 3.980286 241.9796 4.408585 242.4617 4.871689 242.9438 5.332550 243.4259 6.050705 243.9081 6.323570 244.3902 5.914993 244.8723 5.179893 245.3544 4.358353 245.8365 3.551407 246.3186 2.845787 246.8008 2.458809 247.2829 2.633430 247.7650 2.805267 248.2471 3.268982 248.7292 3.545448 249.2113 3.130783 249.6935 1.873947 250.1756 9.9930003E-02 250.6577 1.595856 251.1398 3.583008 251.6219 4.856049 252.1040 4.814774 252.5862 4.386169 253.0683 4.370621 253.5504 5.010353 254.0325 6.052582 254.5146 7.086365 254.9967 8.107697 255.4789 9.127800 255.9610 10.21564 256.4431 11.26211 256.9252 12.13342 257.4073 12.80924 257.8894 13.43497 258.3716 14.19315 258.8537 15.10003 259.3358 16.16457 259.8179 17.45853 260.3000 18.87228 260.7821 20.45223 261.2643 22.17557 261.7464 23.65960 262.2285 24.37550 262.7106 24.05482 263.1927 24.35398 263.6748 25.83017 264.1570 27.59307 264.6391 28.86818 265.1212 29.58315 265.6033 30.19167 266.0854 31.15429 266.5675 32.48322 267.0497 33.48940 267.5318 33.73520 268.0139 33.94294 268.4960 34.79176 268.9781 36.28797 269.4602 37.81588 269.9424 38.98409 270.4245 39.75833 270.9066 40.24749 271.3887 40.37583 271.8708 40.27765 272.3529 39.99132 272.8351 39.53310 273.3172 39.07181 273.7993 38.78451 274.2814 38.53831 274.7635 37.95354 275.2456 36.78326 275.7278 35.54695 276.2099 34.68342 276.6920 34.13714 277.1741 33.41431 277.6562 32.12225 278.1383 30.63907 278.6205 29.78123 279.1026 29.86978 279.5847 29.84719 280.0668 28.76541 280.5489 26.83080 281.0310 25.33961 281.5132 24.96879 281.9953 25.03193 282.4774 24.57780 282.9595 23.57598 283.4416 22.28436 283.9237 20.60778 284.4059 18.70268 284.8880 17.22574 285.3701 16.41208 285.8522 15.98061 286.3343 15.61155 286.8164 15.31577 287.2986 15.17532 287.7807 15.46060 288.2628 15.95731 288.7449 15.92850 289.2270 15.03525 289.7091 13.97250 290.1913 13.25005 290.6734 12.83107 291.1555 12.58983 291.6376 12.64172 292.1197 12.81220 292.6018 12.59451 293.0840 11.72823 293.5661 10.97955 294.0482 11.03075 294.5303 11.57203 295.0124 12.05716 295.4945 12.33850 295.9767 12.39519 296.4588 12.13258 296.9409 11.44908 297.4230 10.66618 297.9051 9.929825 298.3872 9.201279 298.8694 8.399605 299.3515 7.468208 299.8336 6.532944 300.3157 5.712242 300.7978 4.986679 301.2799 4.466644 301.7621 4.472778 302.2442 4.660889 302.7263 4.709190 303.2084 4.545921 303.6905 4.345886 304.1726 4.335007 304.6548 4.507393 305.1369 4.453148 305.6190 3.913597 306.1011 3.223640 306.5832 2.655060 307.0653 2.268471 307.5475 2.018784 308.0296 1.808380 308.5117 1.595650 308.9938 1.632263 309.4759 2.059814 309.9580 2.604591 310.4402 3.146378 310.9223 3.660767 311.4044 4.062935 311.8865 4.240265 312.3686 4.243240 312.8507 4.314072 313.3329 4.513748 313.8150 4.678490 314.2971 4.672600 314.7792 4.577660 315.2613 4.558167 315.7434 4.769424 316.2256 5.049370 316.7077 4.991341 317.1898 4.441025 317.6719 3.983574 318.1540 3.991714 318.6361 4.183884 319.1183 4.239006 319.6004 4.016960 320.0825 3.747711 320.5646 3.724174 321.0467 3.960449 321.5288 4.371696 322.0110 5.183243 322.4931 6.008583 322.9752 6.510445 323.4573 6.629990 323.9394 6.637024 324.4215 6.776543 324.9037 7.044617 325.3858 7.280380 325.8679 7.432854 326.3500 7.567749 326.8321 7.762032 327.3142 7.998749 327.7964 8.168724 328.2785 8.156891 328.7606 8.004372 329.2427 7.953201 329.7248 8.185371 330.2069 8.213226 330.6891 7.636208 331.1712 6.666374 331.6533 5.739082 332.1354 5.059517 332.6175 4.540230 333.0996 4.017738 333.5818 3.494110 334.0639 2.952301 334.5460 2.263680 335.0281 1.594353 335.5102 1.165298 335.9923 1.074165 336.4745 1.137169 336.9566 1.194153 337.4387 1.252014 337.9208 1.170540 338.4029 0.7593080 338.8850 0.2898480 339.3671 5.9578001E-02 339.8492 0.1070020 340.3314 0.1579900 340.8135 1.9362999E-02 341.2956 0.3877560 341.7777 0.7275770 342.2598 1.043854 342.7419 1.249344 343.2241 1.155830 343.7062 0.8422700 344.1883 0.7384030 344.6704 1.216469 345.1525 2.018768 345.6346 2.608627 346.1168 2.956802 346.5989 3.099075 347.0810 2.855522 347.5631 2.439484 348.0452 2.236496 348.5273 2.484009 349.0095 2.857094 349.4916 3.037956 349.9737 3.026390 350.4558 2.783127 350.9379 2.063568 351.4200 1.238434 351.9022 0.9181980 352.3843 1.268677 352.8664 1.735481 353.3485 2.045189 353.8306 2.191406 354.3127 2.125175 354.7949 1.781792 355.2770 1.302071 355.7591 0.8196260 356.2412 0.3333360 356.7233 6.2996000E-02 357.2054 0.2789230 357.6876 0.3963550 358.1697 0.5197980 358.6518 0.6517560 359.1339 0.8808590 359.6160 1.363686 360.0981 2.050171 360.5803 2.614380 361.0624 2.902206 361.5445 3.127975 362.0266 3.446373 362.5087 3.861389 362.9908 4.358032 363.4730 4.979424 363.9551 5.627106 364.4372 6.031586 364.9193 6.054626 365.4014 6.093597 365.8835 6.148285 366.3657 6.341446 366.8478 7.021713 367.3299 8.373642 367.8120 10.01247 368.2941 11.30532 368.7762 12.12708 369.2584 13.12508 369.7405 14.67209 370.2226 16.26248 370.7047 17.25946 371.1868 17.63676 371.6689 18.06114 372.1511 19.18108 372.6332 21.04022 373.1153 22.60260 373.5974 24.02041 374.0795 25.05074 374.5616 25.45460 375.0438 25.37053 375.5259 25.11773 376.0080 24.84556 376.4901 24.59097 376.9722 24.48929 377.4543 25.17367 377.9365 25.19543 378.4186 23.90292 378.9007 22.10257 379.3828 20.67961 379.8649 19.87836 380.3470 19.34560 380.8292 18.54470 381.3113 17.15640 381.7934 16.50874 382.2755 17.06222 382.7576 17.85198 383.2397 18.30673 383.7219 18.48142 384.2040 18.74846 384.6861 19.40234 385.1682 20.42432 385.6503 21.49353 386.1324 22.77683 386.6146 23.91347 387.0967 24.71778 387.5788 25.37215 388.0609 26.10875 388.5430 27.02376 389.0251 28.04659 389.5073 29.10294 389.9894 30.45137 390.4715 31.25882 390.9536 31.22203 391.4357 30.91687 391.9178 30.66086 392.4000 30.50402 392.8821 30.34816 393.3642 30.07989 393.8463 29.70234 394.3284 29.43768 394.8105 29.37991 395.2927 29.33063 395.7748 29.25183 396.2569 29.11298 396.7390 28.82924 397.2211 28.29612 397.7032 27.78239 398.1854 27.92609 398.6675 28.93435 399.1496 29.91899 399.6317 30.41846 400.1138 30.94399 400.5959 31.98917 401.0781 33.64000 401.5602 35.38049 402.0423 36.59663 402.5244 37.32341 403.0065 38.33244 403.4886 39.75026 403.9708 41.47533 404.4529 43.48007 404.9350 45.72490 405.4171 48.07864 405.8992 50.44125 406.3813 52.83917 406.8635 55.46336 407.3456 58.37884 407.8277 61.06831 408.3098 63.11209 408.7919 64.91966 409.2740 67.22437 409.7562 70.33436 410.2383 73.11939 410.7204 75.11997 411.2025 76.30256 411.6846 76.55888 412.1667 75.83160 412.6489 74.31392 413.1310 72.13894 413.6131 69.34271 414.0952 65.94572 414.5773 61.55165 415.0594 56.80265 415.5416 52.30019 416.0237 48.05696 416.5058 43.80119 416.9879 39.36447 417.4700 34.76640 417.9521 30.10624 418.4343 24.43602 418.9164 19.82458 419.3985 17.45260 419.8806 16.29292 420.3627 14.89391 420.8448 12.78294 421.3270 10.34671 421.8091 8.111534 422.2912 6.014282 422.7733 4.415947 423.2554 3.703407 423.7375 3.115005 424.2197 2.072510 424.7018 0.7271730 425.1839 0.3182300 425.6660 0.6054990 426.1481 0.2433400 426.6302 2.5490001E-02 427.1124 2.5581000E-02 427.5945 0.1141280 428.0766 0.4909820 428.5587 1.089439 429.0408 1.919136 429.5229 2.973465 430.0051 4.189590 430.4872 5.470970 430.9693 6.782295 431.4514 8.281883 431.9335 10.14339 432.4156 12.06468 432.8978 13.87032 433.3799 15.63882 433.8620 17.58263 434.3441 19.77067 434.8262 22.25733 435.3083 25.35708 435.7905 29.44191 436.2726 33.07411 436.7547 34.79677 437.2368 36.35416 437.7189 39.46211 438.2010 44.50882 438.6832 50.04958 439.1653 54.80550 439.6474 58.95309 440.1295 63.54557 440.6116 68.83963 441.0938 74.39491 441.5759 79.63414 442.0580 84.75197 442.5401 90.48507 443.0222 97.16681 443.5043 104.4383 443.9865 112.1011 444.4686 120.1004 444.9507 128.2400 445.4328 136.4098 445.9149 144.6899 446.3970 153.2134 446.8792 161.9283 447.3613 170.8952 447.8434 180.0323 448.3255 189.4816 448.8076 199.6067 449.2897 210.4601 449.7719 221.3366 450.2540 231.5422 450.7361 241.0700 451.2182 250.8101 451.7003 260.2850 452.1824 270.4424 452.6646 282.0051 453.1467 294.4533 453.6288 306.8145 454.1109 318.6948 454.5930 330.3695 455.0751 342.5142 455.5573 355.4010 456.0394 368.2407 456.5215 380.3615 457.0036 392.9907 457.4857 407.3990 457.9678 423.1086 458.4500 438.5797 458.9321 452.5616 459.4142 465.3242 459.8963 478.7071 460.3784 493.4083 460.8605 507.4071 461.3427 520.6171 461.8248 532.8638 462.3069 544.0342 462.7890 554.1006 463.2711 563.0867 463.7532 571.4030 464.2354 578.9658 464.7175 583.8498 465.1996 585.8713 465.6817 584.9614 466.1638 581.0832 466.6459 574.5110 467.1281 565.5916 467.6102 554.2651 468.0923 540.8167 468.5744 525.3028 469.0565 507.7181 469.5386 489.2473 470.0208 470.2030 470.5029 450.6464 470.9850 430.5901 471.4671 409.7079 471.9492 389.8453 472.4313 371.3317 472.9135 354.0037 473.3956 337.7832 473.8777 322.6525 474.3598 308.2287 474.8419 294.3578 475.3240 281.0674 475.8062 268.5441 476.2883 257.0235 476.7704 245.6297 477.2525 234.3742 477.7346 223.1834 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