#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:36:25 +0300 (Thu, 24 May 2018) $ #$Revision: 766 $ #$URL: svn://172.16.1.111/rod/cif/2/10/00/2100028.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_2100028 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 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 R080066.rod _rod_data_source.block 3500000 _rod_database.code 2100028 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 126.1017 0.0000000E+00 126.5838 5.549805 127.0659 10.95923 127.5480 16.20300 128.0302 18.35132 128.5123 23.68695 128.9944 17.63513 129.4765 8.655090 129.9586 1.840271 130.4407 2.176636 130.9229 3.479553 131.4050 2.377319 131.8871 0.8508910 132.3692 6.529541 132.8513 15.84442 133.3334 27.89777 133.8156 38.82867 134.2977 47.44037 134.7798 56.09076 135.2619 66.51630 135.7440 79.72784 136.2261 94.86157 136.7083 109.3199 137.1904 123.3950 137.6725 136.2313 138.1546 147.2730 138.6367 156.6655 139.1188 164.0182 139.6010 169.2128 140.0831 172.2552 140.5652 173.9025 141.0473 173.7373 141.5294 172.8046 142.0115 172.6259 142.4937 173.8540 142.9758 174.2465 143.4579 173.0503 143.9400 170.0110 144.4221 166.3907 144.9042 161.1204 145.3864 155.8040 145.8685 153.4359 146.3506 155.5039 146.8327 158.3530 147.3148 160.6833 147.7969 161.4816 148.2791 164.0139 148.7612 168.9180 149.2433 175.4529 149.7254 181.9971 150.2075 186.9397 150.6896 193.2607 151.1718 202.0414 151.6539 214.7195 152.1360 227.7290 152.6181 240.7687 153.1002 254.0562 153.5823 268.1860 154.0645 285.4019 154.5466 302.0237 155.0287 316.3571 155.5108 328.1232 155.9929 337.9738 156.4750 345.4620 156.9572 350.9189 157.4393 355.5450 157.9214 360.5698 158.4035 364.3169 158.8856 365.7637 159.3677 363.8357 159.8499 360.4448 160.3320 356.0237 160.8141 350.6022 161.2962 344.1802 161.7783 337.1678 162.2604 329.0433 162.7426 319.3777 163.2247 306.0281 163.7068 292.8840 164.1889 281.5067 164.6710 271.9631 165.1531 263.4360 165.6353 255.4849 166.1174 248.3584 166.5995 242.3240 167.0816 236.9772 167.5637 233.0920 168.0458 231.4195 168.5280 231.9764 169.0101 233.5032 169.4922 234.7859 169.9743 236.6104 170.4564 240.0905 170.9385 246.7337 171.4207 254.5883 171.9028 262.2007 172.3849 269.5007 172.8670 276.3201 173.3491 282.2023 173.8312 287.5622 174.3134 293.2101 174.7955 300.0634 175.2776 307.1244 175.7597 313.1112 176.2418 317.9325 176.7239 322.2446 177.2061 326.3530 177.6882 330.4727 178.1703 335.1153 178.6524 340.5973 179.1345 346.7894 179.6166 353.7806 180.0988 361.8596 180.5809 369.5208 181.0630 374.0153 181.5451 376.3278 182.0272 380.1185 182.5093 387.3613 182.9915 397.5121 183.4736 409.9255 183.9557 424.2130 184.4378 438.8804 184.9199 451.6633 185.4020 462.6480 185.8842 473.8704 186.3663 486.8064 186.8484 500.8617 187.3305 513.3964 187.8126 524.3015 188.2947 533.9491 188.7769 543.2673 189.2590 552.2958 189.7411 560.1062 190.2232 566.7631 190.7053 572.0111 191.1874 574.1234 191.6696 572.6503 192.1517 568.4026 192.6338 562.9988 193.1159 556.4897 193.5980 548.0436 194.0801 536.6155 194.5623 522.4832 195.0444 508.1615 195.5265 493.9615 196.0086 479.6917 196.4907 464.8224 196.9728 449.2739 197.4550 433.7845 197.9371 418.6991 198.4192 404.0180 198.9013 389.8594 199.3834 376.2172 199.8655 363.1849 200.3477 350.8076 200.8298 339.1740 201.3119 327.9035 201.7940 316.5013 202.2761 304.8853 202.7582 294.1116 203.2404 284.3330 203.7225 275.4164 204.2046 267.0934 204.6867 259.4770 205.1688 252.0422 205.6509 244.8206 206.1331 237.9726 206.6152 229.9073 207.0973 220.0396 207.5794 209.0993 208.0615 199.2432 208.5436 190.4819 209.0258 182.7249 209.5079 176.4355 209.9900 172.2362 210.4721 166.6470 210.9542 159.0692 211.4363 150.0185 211.9185 140.9876 212.4006 131.5408 212.8827 122.9672 213.3648 116.5334 213.8469 112.8285 214.3290 108.6754 214.8112 103.4879 215.2933 97.77313 215.7754 93.12378 216.2575 89.66754 216.7396 87.01047 217.2217 85.01517 217.7038 83.80920 218.1860 82.88095 218.6681 82.17209 219.1502 81.73270 219.6323 81.98627 220.1144 83.66559 220.5965 84.80737 221.0787 84.10968 221.5608 80.75073 222.0429 77.88040 222.5250 76.02991 223.0071 74.77512 223.4892 72.50189 223.9714 68.30048 224.4535 64.47696 224.9356 62.41223 225.4177 63.16507 225.8998 63.12753 226.3819 61.76886 226.8641 59.53702 227.3462 58.13788 227.8283 58.06738 228.3104 58.04529 228.7925 57.44916 229.2746 56.10443 229.7568 54.49707 230.2389 52.56747 230.7210 50.36429 231.2031 48.15820 231.6852 46.01950 232.1673 43.77542 232.6495 41.39172 233.1316 38.95798 233.6137 36.16138 234.0958 32.84317 234.5779 29.23578 235.0600 26.15347 235.5422 24.13376 236.0243 21.80557 236.5064 18.32785 236.9885 12.45050 237.4706 8.258545 237.9527 6.617249 238.4349 6.498352 238.9170 5.386078 239.3991 2.933716 239.8812 3.5797000E-02 240.3633 3.118713 240.8454 7.142670 241.3276 9.852264 241.8097 10.77081 242.2918 10.54959 242.7739 10.56747 243.2560 11.19000 243.7381 11.43698 244.2203 10.73187 244.7024 8.314819 245.1845 7.136322 245.6666 7.959564 246.1487 9.723846 246.6308 10.32584 247.1130 9.075989 247.5951 7.779266 248.0772 7.198242 248.5593 7.731201 249.0414 7.505249 249.5235 6.179749 250.0057 4.235870 250.4878 2.481598 250.9699 0.9684140 251.4520 0.3507690 251.9341 1.427887 252.4162 2.151672 252.8984 3.204224 253.3805 4.629333 253.8626 6.338959 254.3447 8.180908 254.8268 10.15720 255.3089 12.30502 255.7911 14.77420 256.2732 17.69901 256.7553 19.82169 257.2374 20.66528 257.7195 21.19162 258.2017 22.60959 258.6838 25.23489 259.1659 28.03088 259.6480 30.74072 260.1301 33.33353 260.6122 36.36472 261.0944 40.26208 261.5765 44.08017 262.0586 46.62555 262.5407 47.22885 263.0228 48.43842 263.5049 51.05618 263.9871 55.01523 264.4692 57.98291 264.9513 59.44498 265.4334 60.78183 265.9155 63.50174 266.3976 68.15167 266.8798 72.19495 267.3619 75.04767 267.8440 76.86151 268.3261 78.70242 268.8082 80.60291 269.2903 82.45505 269.7725 84.30780 270.2546 86.32422 270.7367 87.46365 271.2188 87.30569 271.7009 86.20285 272.1830 85.77704 272.6652 86.37195 273.1473 86.71475 273.6294 85.70230 274.1115 83.03204 274.5936 80.87891 275.0757 79.54056 275.5579 78.76685 276.0400 78.10681 276.5221 77.74786 277.0042 76.77441 277.4863 74.34894 277.9684 70.33078 278.4506 66.82791 278.9327 64.12360 279.4148 61.87158 279.8969 59.20984 280.3790 56.04395 280.8611 53.03171 281.3433 50.49738 281.8254 48.44092 282.3075 46.95795 282.7896 46.27142 283.2717 45.59857 283.7538 43.31482 284.2360 39.34970 284.7181 35.88672 285.2002 34.15292 285.6823 33.90625 286.1644 33.15680 286.6465 31.77631 287.1287 30.24307 287.6108 29.17694 288.0929 28.56796 288.5750 28.04700 289.0571 27.55212 289.5392 27.01239 290.0214 26.11710 290.5035 24.82285 290.9856 23.42426 291.4677 22.31549 291.9498 21.44763 292.4319 20.44202 292.9141 19.01096 293.3962 17.49020 293.8783 16.75320 294.3604 16.80649 294.8425 17.06631 295.3246 17.24838 295.8068 17.29196 296.2889 16.95007 296.7710 16.01785 297.2531 14.75729 297.7352 13.49167 298.2173 12.19333 298.6995 11.07040 299.1816 10.76373 299.6637 10.96500 300.1458 10.86526 300.6279 10.27722 301.1100 9.321106 301.5922 7.935455 302.0743 6.330536 302.5564 5.234589 303.0385 5.144958 303.5206 5.508209 304.0027 5.639282 304.4849 5.476013 304.9670 5.454254 305.4491 6.214386 305.9312 7.334930 306.4133 7.842590 306.8954 6.725708 307.3776 5.228241 307.8597 4.646912 308.3418 5.110474 308.8239 5.809967 309.3060 5.967316 309.7881 5.968262 310.2703 6.420288 310.7524 7.797638 311.2345 9.580109 311.7166 11.61093 312.1987 13.85162 312.6808 15.69647 313.1630 16.90161 313.6451 17.50623 314.1272 17.55896 314.6093 16.28635 315.0914 15.18695 315.5735 15.24176 316.0557 16.23032 316.5378 16.97836 317.0199 16.82349 317.5020 16.32886 317.9841 15.86688 318.4662 15.31018 318.9484 15.12625 319.4305 15.73129 319.9126 16.84967 320.3947 17.75494 320.8768 17.84717 321.3589 17.97049 321.8411 18.61179 322.3232 20.11041 322.8053 21.42117 323.2874 22.11176 323.7695 22.53497 324.2516 23.24985 324.7338 24.80447 325.2159 26.23465 325.6980 27.28677 326.1801 27.95795 326.6622 28.20871 327.1443 27.93945 327.6265 27.30011 328.1086 26.43219 328.5907 24.89627 329.0728 23.65198 329.5549 23.20181 330.0370 23.56107 330.5192 22.75800 331.0013 19.72839 331.4834 16.43777 331.9655 14.28070 332.4476 14.28333 332.9297 13.61868 333.4119 11.67566 333.8940 8.843536 334.3761 6.922424 334.8582 6.408447 335.3403 6.064026 335.8224 5.183716 336.3046 3.382538 336.7867 2.233978 337.2688 2.011780 337.7509 2.260956 338.2330 2.021057 338.7151 1.135345 339.1973 0.2548220 339.6794 0.3138430 340.1615 0.5411070 340.6436 1.030579 341.1257 1.822174 341.6078 2.769226 342.0899 3.861176 342.5721 5.146545 343.0542 5.848846 343.5363 5.454926 344.0184 4.306519 344.5005 3.969238 344.9826 4.530212 345.4648 5.296356 345.9469 5.690796 346.4290 5.741730 346.9111 5.725586 347.3932 5.818634 347.8753 5.716827 348.3575 4.525177 348.8396 2.363464 349.3217 0.4648440 349.8038 0.2038570 350.2859 3.0182000E-02 350.7680 0.4703060 351.2502 1.122955 351.7323 1.670410 352.2144 1.605103 352.6965 1.095673 353.1786 0.6802370 353.6607 1.059723 354.1429 1.481964 354.6250 0.8335880 355.1071 0.9589840 355.5892 2.841766 356.0713 3.941772 356.5534 4.634918 357.0356 5.492554 357.5177 7.062622 357.9998 8.607391 358.4819 9.333862 358.9640 9.404114 359.4461 9.732178 359.9283 10.89734 360.4104 12.46518 360.8925 14.10895 361.3746 15.76163 361.8567 17.49271 362.3388 19.39905 362.8210 21.38455 363.3031 23.31299 363.7852 25.09039 364.2673 26.81415 364.7494 28.37729 365.2315 29.55927 365.7137 31.32706 366.1958 34.09500 366.6779 37.48206 367.1600 41.05084 367.6421 44.77048 368.1242 48.75345 368.6064 52.97531 369.0885 57.36981 369.5706 62.01416 370.0527 67.16333 370.5348 72.40265 371.0169 77.55301 371.4991 82.48114 371.9812 87.48798 372.4633 92.47678 372.9454 97.54343 373.4275 103.1445 373.9096 110.1024 374.3918 116.2995 374.8739 120.5058 375.3560 122.3591 375.8381 124.1228 376.3202 125.8362 376.8023 127.3748 377.2845 128.2704 377.7666 128.2438 378.2487 129.1239 378.7308 132.0348 379.2129 136.4986 379.6950 138.5367 380.1772 137.7275 380.6593 136.7408 381.1414 138.2115 381.6235 141.9030 382.1056 145.8008 382.5877 149.4676 383.0699 153.1227 383.5520 157.0254 384.0341 161.2373 384.5162 165.9710 384.9983 171.7257 385.4804 178.1020 385.9626 184.4498 386.4447 190.7980 386.9268 196.6083 387.4089 201.6761 387.8910 205.8200 388.3731 208.5026 388.8553 208.7679 389.3374 207.9275 389.8195 207.3680 390.3016 207.0433 390.7837 205.8699 391.2658 203.3412 391.7480 199.5395 392.2301 194.5428 392.7122 188.2445 393.1943 180.9783 393.6764 172.1581 394.1585 162.3840 394.6407 153.5317 395.1228 146.5488 395.6049 140.4218 396.0870 134.5836 396.5691 128.9465 397.0512 123.6853 397.5334 118.2225 398.0155 113.3698 398.4976 110.1584 398.9797 109.6838 399.4618 109.7061 399.9439 109.6270 400.4261 109.4304 400.9082 110.3605 401.3903 112.8260 401.8724 116.1971 402.3545 120.0458 402.8366 124.3442 403.3188 128.8456 403.8009 133.3385 404.2830 138.1617 404.7651 144.3008 405.2472 152.0534 405.7293 160.0715 406.2115 167.9532 406.6936 175.6795 407.1757 183.3916 407.6578 191.1165 408.1399 198.5236 408.6220 205.6855 409.1042 212.5707 409.5863 218.0532 410.0684 221.9213 410.5505 224.1869 411.0326 225.4515 411.5147 225.6249 411.9969 223.2105 412.4790 216.4165 412.9611 206.3399 413.4432 195.5269 413.9253 184.2110 414.4074 172.2048 414.8896 159.0547 415.3717 145.0125 415.8538 130.7315 416.3359 115.6214 416.8180 101.0936 417.3001 89.00470 417.7823 79.17090 418.2644 69.79120 418.7465 58.86835 419.2286 48.06659 419.7107 39.16055 420.1928 33.34576 420.6750 28.32156 421.1571 23.36731 421.6392 18.51660 422.1213 13.98682 422.6034 9.424774 423.0855 5.555908 423.5677 2.881012 424.0498 1.948486 424.5319 0.4435420 425.0140 3.041443 425.4961 6.596527 425.9782 8.281250 426.4604 6.987640 426.9425 5.390045 427.4246 3.515930 427.9067 1.513458 428.3888 0.7612610 428.8709 2.118195 429.3531 3.209381 429.8352 2.539215 430.3173 0.2875980 430.7994 2.667206 431.2815 4.190430 431.7636 5.774902 432.2458 9.141113 432.7279 14.39661 433.2100 19.52728 433.6921 23.68533 434.1742 27.20276 434.6563 31.06619 435.1385 35.31363 435.6206 40.09293 436.1027 45.95477 436.5848 52.47250 437.0669 58.35626 437.5490 63.13596 438.0312 67.83444 438.5133 73.65372 438.9954 80.40298 439.4775 87.54324 439.9596 95.17773 440.4417 102.8507 440.9239 109.6364 441.4060 115.4867 441.8881 122.7091 442.3702 133.3479 442.8523 145.5735 443.3344 157.7093 443.8166 168.8226 444.2987 180.3389 444.7808 192.3209 445.2629 204.9825 445.7450 219.0745 446.2271 235.3610 446.7093 252.2197 447.1914 268.9002 447.6735 285.0622 448.1556 302.1914 448.6377 319.7113 449.1198 338.4061 449.6020 359.3739 450.0841 383.3971 450.5662 407.0767 451.0483 429.4283 451.5304 451.1492 452.0125 474.5829 452.4947 499.8738 452.9768 527.0273 453.4589 556.8609 453.9410 589.6998 454.4231 621.5309 454.9052 652.4346 455.3874 683.1743 455.8695 714.3099 456.3516 746.2853 456.8337 781.2116 457.3158 820.9354 457.7979 863.5336 458.2801 906.1148 458.7622 948.5580 459.2443 991.6060 459.7264 1035.706 460.2085 1080.389 460.6906 1125.019 461.1728 1169.938 461.6549 1212.500 462.1370 1250.107 462.6191 1283.670 463.1012 1313.607 463.5833 1341.631 464.0655 1364.723 464.5476 1381.634 465.0297 1392.266 465.5118 1396.643 465.9939 1394.805 466.4760 1386.461 466.9582 1371.322 467.4403 1347.671 467.9224 1319.752 468.4045 1285.818 468.8866 1248.711 469.3687 1211.629 469.8509 1174.659 470.3330 1138.684 470.8151 1103.611 471.2972 1069.602 471.7793 1038.614 472.2614 1010.857 472.7436 984.7724 473.2257 959.5745 473.7078 935.1826 474.1899 910.5931 474.6720 885.5504 475.1541 860.3363 475.6363 836.4250 476.1184 813.3168 476.6005 787.4028 477.0826 756.3052 477.5647 721.9180 478.0468 686.3528 478.5290 649.7787 479.0111 613.3460 479.4932 577.6367 479.9753 542.6252 480.4574 508.1467 480.9395 473.9759 481.4217 440.5401 481.9038 408.0487 482.3859 377.0316 482.8680 348.6860 483.3501 324.4148 483.8322 301.8852 484.3144 280.3593 484.7965 259.9881 485.2786 240.7214 485.7607 222.4462 486.2428 205.5984 486.7249 190.3819 487.2071 177.5116 487.6892 165.1000 488.1713 152.5540 488.6534 140.9524 489.1355 131.9428 489.6176 126.3212 490.0998 120.8063 490.5819 114.3849 491.0640 107.3302 491.5461 101.1868 492.0282 95.91394 492.5103 91.42078 492.9925 87.91568 493.4746 85.26074 493.9567 82.79993 494.4388 80.35287 494.9209 78.20700 495.4030 76.59235 495.8852 75.64886 496.3673 75.53522 496.8494 76.60251 497.3315 77.97534 497.8136 78.94577 498.2957 79.63232 498.7779 80.38879 499.2600 81.08151 499.7421 82.10040 500.2242 83.82437 500.7063 86.47122 501.1884 89.12030 501.6706 91.39273 502.1527 93.58478 502.6348 95.96121 503.1169 98.84543 503.5990 101.5792 504.0811 104.2283 504.5633 106.6726 505.0454 108.4787 505.5275 109.4103 506.0096 110.0946 506.4917 110.7752 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