#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:16:09 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1044 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000496.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_1000496 loop_ _publ_author_name 'Brosset, C.' _publ_section_title ; Die kristallstruktur des chioliths ; _journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie' _journal_page_first 201 _journal_page_last 208 _journal_volume 238 _journal_year 1938 _chemical_compound_source R050412 _chemical_formula_sum 'Al3 F14 Na5' _chemical_name_mineral Chiolite _space_group_IT_number 128 _symmetry_space_group_name_Hall '-P 4 2n' _symmetry_space_group_name_H-M 'P 4/m n c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.00 _cell_length_b 7.00 _cell_length_c 10.39 _cell_volume 509.110 _exptl_crystal_density_diffrn 3.013 _cod_original_formula_sum 'Na5 Al3 F14' _cod_database_code 9009786 _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 R050412.rod _rod_data_source.block 3500000 _rod_database.code 1000496 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 9009786 COD http://www.crystallography.net/cod/9009786.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 93.79987 0.0000000E+00 94.28198 0.4865640 94.76410 0.8561490 95.24622 0.8383650 95.72833 0.5449150 96.21045 0.6805780 96.69257 1.201422 97.17468 1.536362 97.65680 1.559996 98.13892 0.8591740 98.62103 0.2937030 99.10315 2.5420999E-02 99.58527 1.0421000E-02 100.0674 7.6568000E-02 100.5495 0.2897470 101.0316 0.4666130 101.5137 0.4089570 101.9958 8.0095999E-02 102.4780 0.3627130 102.9601 0.8836970 103.4422 1.493827 103.9243 2.085964 104.4064 2.604173 104.8885 3.143674 105.3707 3.906789 105.8528 4.949066 106.3349 6.123392 106.8170 7.377346 107.2991 8.770975 107.7813 10.13194 108.2634 11.48681 108.7455 12.82041 109.2276 14.02226 109.7097 14.89167 110.1918 15.78804 110.6740 16.86224 111.1561 18.52100 111.6382 19.90462 112.1203 20.79952 112.6024 21.29957 113.0845 21.90747 113.5667 22.85983 114.0488 23.85565 114.5309 24.70567 115.0130 25.10456 115.4951 25.59030 115.9772 26.38713 116.4594 27.49700 116.9415 28.55204 117.4236 29.29985 117.9057 29.96135 118.3878 30.76835 118.8699 32.26690 119.3521 33.60342 119.8342 34.14075 120.3163 33.76202 120.7984 33.45065 121.2805 33.69184 121.7626 34.41308 122.2448 35.49044 122.7269 37.74345 123.2090 39.89806 123.6911 40.57963 124.1732 39.46296 124.6553 37.62857 125.1375 35.72339 125.6196 33.83318 126.1017 32.22997 126.5838 31.12131 127.0659 30.40253 127.5480 29.90693 128.0302 29.65130 128.5123 29.51712 128.9944 29.34261 129.4765 29.13545 129.9586 28.96720 130.4407 29.04016 130.9229 29.24015 131.4050 29.04413 131.8871 28.18907 132.3692 27.02952 132.8513 26.38149 133.3334 26.18130 133.8156 25.96511 134.2977 25.52731 134.7798 25.06891 135.2619 24.83111 135.7440 24.93153 136.2261 25.28601 136.7083 25.46605 137.1904 25.39253 137.6725 25.39931 138.1546 26.01320 138.6367 27.43692 139.1188 28.36579 139.6010 28.42562 140.0831 27.62126 140.5652 26.69095 141.0473 25.66935 141.5294 24.47070 142.0115 22.87222 142.4937 20.48173 142.9758 18.56931 143.4579 17.56975 143.9400 17.68183 144.4221 17.73420 144.9042 17.73010 145.3864 17.66427 145.8685 17.52309 146.3506 17.27955 146.8327 16.99682 147.3148 16.68921 147.7969 16.34307 148.2791 16.00076 148.7612 15.57915 149.2433 15.16801 149.7254 14.97498 150.2075 15.10644 150.6896 15.36251 151.1718 15.68875 151.6539 16.31479 152.1360 16.59543 152.6181 16.23686 153.1002 15.48328 153.5823 15.06189 154.0645 15.47707 154.5466 15.90764 155.0287 15.97008 155.5108 15.45619 155.9929 14.78141 156.4750 13.91367 156.9572 12.90342 157.4393 11.96448 157.9214 10.96232 158.4035 10.12494 158.8856 9.596317 159.3677 9.911285 159.8499 10.05585 160.3320 9.601692 160.8141 8.651814 161.2962 7.820179 161.7783 7.312538 162.2604 7.025158 162.7426 6.872341 163.2247 7.241196 163.7068 7.379688 164.1889 6.745197 164.6710 5.404018 165.1531 4.257912 165.6353 3.882904 166.1174 3.887833 166.5995 3.851753 167.0816 3.471668 167.5637 3.113983 168.0458 3.021515 168.5280 3.196976 169.0101 3.484249 169.4922 3.899273 169.9743 4.339462 170.4564 4.657875 170.9385 4.736336 171.4207 4.702736 171.9028 4.585876 172.3849 4.375847 172.8670 4.335876 173.3491 4.952034 173.8312 5.877193 174.3134 6.448269 174.7955 5.990086 175.2776 5.175640 175.7597 4.769581 176.2418 4.819706 176.7239 5.173286 177.2061 5.882847 177.6882 6.818466 178.1703 7.611362 178.6524 7.904911 179.1345 7.996315 179.6166 8.427967 180.0988 9.282875 180.5809 10.22166 181.0630 10.85362 181.5451 11.23968 182.0272 11.59366 182.5093 11.87721 182.9915 12.22128 183.4736 12.93097 183.9557 14.04189 184.4378 15.48211 184.9199 17.53037 185.4020 20.01880 185.8842 22.02996 186.3663 22.74255 186.8484 22.49728 187.3305 22.46146 187.8126 22.71217 188.2947 23.22029 188.7769 23.98114 189.2590 24.98895 189.7411 26.12258 190.2232 27.37682 190.7053 28.72644 191.1874 30.03396 191.6696 31.29330 192.1517 32.52756 192.6338 33.77715 193.1159 35.04142 193.5980 36.34439 194.0801 37.72161 194.5623 39.16019 195.0444 40.59320 195.5265 42.03639 196.0086 43.42245 196.4907 44.56838 196.9728 45.44895 197.4550 46.29774 197.9371 47.22510 198.4192 48.23005 198.9013 49.40989 199.3834 50.89954 199.8655 52.43439 200.3477 53.37072 200.8298 53.64527 201.3119 53.58384 201.7940 53.35944 202.2761 52.97262 202.7582 52.43346 203.2404 51.75552 203.7225 50.91899 204.2046 49.84476 204.6867 48.50142 205.1688 47.02599 205.6509 45.44915 206.1331 43.71337 206.6152 42.23644 207.0973 41.15253 207.5794 40.33044 208.0615 39.22849 208.5436 37.65134 209.0258 36.22120 209.5079 35.46645 209.9900 35.60783 210.4721 35.39347 210.9542 34.58076 211.4363 33.37209 211.9185 32.48653 212.4006 31.99075 212.8827 31.70900 213.3648 31.54618 213.8469 31.50006 214.3290 31.63023 214.8112 31.95596 215.2933 32.41486 215.7754 32.88812 216.2575 33.42498 216.7396 33.93377 217.2217 34.38462 217.7039 34.86121 218.1860 34.94307 218.6681 34.48084 219.1502 33.62787 219.6323 32.99791 220.1144 32.83986 220.5966 32.51666 221.0787 31.62715 221.5608 29.98403 222.0429 28.25526 222.5250 26.39848 223.0071 24.47303 223.4893 22.82139 223.9714 21.50801 224.4535 20.38377 224.9356 19.37241 225.4177 18.54130 225.8998 17.66623 226.3820 16.67900 226.8641 15.64540 227.3462 14.80632 227.8283 14.13243 228.3104 13.68512 228.7925 13.55977 229.2747 14.01083 229.7568 14.19172 230.2389 13.98022 230.7210 13.49501 231.2031 13.09133 231.6852 12.67617 232.1674 12.47850 232.6495 12.66751 233.1316 13.53320 233.6137 14.11654 234.0958 14.23215 234.5779 14.08034 235.0601 14.24065 235.5422 14.89914 236.0243 15.60373 236.5064 16.15836 236.9885 16.51499 237.4706 16.82381 237.9528 17.05853 238.4349 17.24949 238.9170 17.47098 239.3991 17.74113 239.8812 18.01455 240.3633 18.27433 240.8455 18.52222 241.3276 18.74542 241.8097 18.90233 242.2918 19.04738 242.7739 19.32315 243.2560 19.87943 243.7382 20.33646 244.2203 20.56726 244.7024 20.58542 245.1845 20.31359 245.6666 19.57799 246.1487 18.63684 246.6309 18.00436 247.1130 17.92873 247.5951 17.75092 248.0772 17.19284 248.5593 16.08504 249.0414 15.22744 249.5236 14.78461 250.0057 14.48878 250.4878 13.87100 250.9699 12.77189 251.4520 11.62479 251.9341 10.53386 252.4163 9.451736 252.8984 8.662231 253.3805 8.359688 253.8626 8.195187 254.3447 7.621437 254.8268 6.357471 255.3090 5.243805 255.7911 4.581783 256.2732 4.437870 256.7553 4.131081 257.2374 3.547806 257.7195 2.912170 258.2017 2.533321 258.6838 2.569374 259.1659 2.487091 259.6480 2.094009 260.1301 1.374840 260.6122 0.8708880 261.0944 0.6524280 261.5765 0.5610690 262.0586 0.4288860 262.5407 0.2341460 263.0228 6.7368001E-02 263.5049 1.1230000E-02 263.9871 1.2547000E-02 264.4692 0.2278900 264.9513 0.7860030 265.4334 1.355846 265.9155 1.616985 266.3976 1.474785 266.8798 1.329933 267.3619 1.269646 267.8440 1.272938 268.3261 1.144627 268.8082 0.8176380 269.2903 0.5003590 269.7725 0.3561820 270.2546 0.3985250 270.7367 0.5746000 271.2188 0.9529880 271.7009 1.445747 272.1830 1.647404 272.6652 1.468388 273.1473 1.239346 273.6294 1.217777 274.1115 1.457901 274.5936 1.563931 275.0757 1.468262 275.5579 1.235847 276.0400 1.036842 276.5221 0.8647080 277.0042 0.7533070 277.4863 0.7589190 277.9684 0.8964690 278.4506 0.9537010 278.9327 0.9248160 279.4148 0.7981640 279.8969 0.4979670 280.3790 7.6219998E-03 280.8611 0.4659540 281.3433 0.7303310 281.8254 0.8029790 282.3075 0.8712500 282.7896 0.9489100 283.2717 1.008095 283.7538 0.9664000 284.2360 0.8173140 284.7181 0.7400670 285.2002 0.8320690 285.6823 1.077591 286.1644 1.343597 286.6465 1.631779 287.1287 1.925274 287.6108 2.200924 288.0929 2.459290 288.5750 2.714500 289.0571 2.984653 289.5392 3.256672 290.0214 3.460911 290.5035 3.589840 290.9856 3.709381 291.4677 3.858719 291.9498 4.047199 292.4319 4.337925 292.9141 4.828854 293.3962 5.393684 293.8783 5.662582 294.3604 5.629433 294.8425 5.648697 295.3246 6.039505 295.8068 6.737717 296.2889 7.538540 296.7710 8.466595 297.2531 9.398743 297.7352 10.07213 298.2173 10.51151 298.6995 10.95321 299.1816 11.57128 299.6637 12.31169 300.1458 13.02782 300.6279 13.65902 301.1100 14.34634 301.5922 15.44025 302.0743 16.80306 302.5564 17.87658 303.0385 17.94651 303.5206 17.65257 304.0027 17.96386 304.4849 19.07993 304.9670 20.47518 305.4491 21.82063 305.9312 23.06388 306.4133 24.07971 306.8954 24.61989 307.3776 25.00543 307.8597 25.52645 308.3418 26.20872 308.8239 27.01721 309.3060 27.91464 309.7881 28.93237 310.2703 30.08975 310.7524 31.65961 311.2345 33.19340 311.7166 34.29358 312.1987 34.96872 312.6808 35.61249 313.1630 36.58553 313.6451 37.59780 314.1272 38.34387 314.6093 38.54515 315.0914 38.61556 315.5735 38.80996 316.0557 39.07224 316.5378 39.10714 317.0199 38.70429 317.5020 38.07748 317.9841 37.38719 318.4662 36.82135 318.9484 35.98635 319.4305 34.61403 319.9126 32.86137 320.3947 31.14031 320.8768 29.60061 321.3589 28.09845 321.8411 26.53072 322.3232 24.79318 322.8053 23.21065 323.2874 21.87533 323.7695 20.74194 324.2516 19.73482 324.7338 18.88264 325.2159 18.10951 325.6980 17.37469 326.1801 16.65763 326.6622 16.10630 327.1443 15.80388 327.6265 15.62487 328.1086 15.44019 328.5907 14.94881 329.0728 14.76580 329.5549 15.13572 330.0370 16.08456 330.5192 16.74114 331.0013 16.93187 331.4834 16.97756 331.9655 17.07589 332.4476 17.14770 332.9297 17.44389 333.4119 18.00283 333.8940 18.80590 334.3761 19.80999 334.8582 21.11191 335.3403 22.40673 335.8224 23.50628 336.3046 24.31383 336.7867 25.25397 337.2688 26.39446 337.7509 27.65172 338.2330 28.88937 338.7151 30.10089 339.1973 31.23987 339.6794 32.27766 340.1615 33.19960 340.6436 34.14130 341.1257 35.06286 341.6078 36.07393 342.0900 37.37051 342.5721 38.95273 343.0542 40.50729 343.5363 41.90176 344.0184 43.18945 344.5005 44.68073 344.9827 46.39717 345.4648 48.10854 345.9469 49.44539 346.4290 50.47330 346.9111 51.72692 347.3932 53.32907 347.8754 55.27724 348.3575 57.63125 348.8396 60.32467 349.3217 62.90652 349.8038 65.00366 350.2859 66.73975 350.7681 68.47368 351.2502 70.29333 351.7323 71.90410 352.2144 72.90336 352.6965 73.43748 353.1786 73.88351 353.6608 74.76711 354.1429 75.49406 354.6250 75.32146 355.1071 74.22299 355.5892 72.53127 356.0714 70.37867 356.5535 67.77840 357.0356 64.77812 357.5177 61.21025 357.9998 57.44425 358.4819 53.78116 358.9641 50.18425 359.4462 46.57788 359.9283 42.70216 360.4104 38.91370 360.8925 35.49477 361.3746 32.47400 361.8568 29.86438 362.3389 27.92527 362.8210 26.41799 363.3031 24.77175 363.7852 22.43922 364.2673 20.25957 364.7495 18.65078 365.2316 17.75678 365.7137 16.82308 366.1958 15.56533 366.6779 14.26884 367.1600 13.25776 367.6422 12.73877 368.1243 12.33222 368.6064 12.00896 369.0885 11.77328 369.5706 11.46054 370.0527 10.87414 370.5349 10.36107 371.0170 10.15395 371.4991 10.45275 371.9812 10.72526 372.4633 10.94978 372.9454 11.12457 373.4276 11.22020 373.9097 11.15493 374.3918 11.15650 374.8739 11.37511 375.3560 11.91116 375.8381 12.19364 376.3203 12.11960 376.8024 11.92155 377.2845 11.94899 377.7666 12.22276 378.2487 12.60965 378.7308 13.08104 379.2130 13.63141 379.6951 14.19553 380.1772 14.78596 380.6593 15.34894 381.1414 15.84896 381.6235 16.28270 382.1057 16.67491 382.5878 17.05882 383.0699 17.35864 383.5520 17.41194 384.0341 17.23127 384.5162 16.93898 384.9984 16.52972 385.4805 16.07390 385.9626 15.80203 386.4447 15.79848 386.9268 15.64582 387.4089 14.76059 387.8911 13.39265 388.3732 12.12389 388.8553 11.26580 389.3374 10.58917 389.8195 9.900970 390.3016 9.208500 390.7838 8.543381 391.2659 7.980965 391.7480 7.441814 392.2301 6.837517 392.7122 6.079773 393.1943 5.343216 393.6765 4.698177 394.1586 4.140110 394.6407 3.666645 395.1228 3.262093 395.6049 2.948895 396.0870 2.768356 396.5692 2.794510 397.0513 2.729370 397.5334 2.443199 398.0155 2.057713 398.4976 1.729076 398.9797 1.447224 399.4619 1.247704 399.9440 1.194824 400.4261 1.286888 400.9082 1.230602 401.3903 0.9331470 401.8724 0.5742910 402.3546 0.2471010 402.8367 0.1185990 403.3188 0.2701150 403.8009 5.9578001E-02 404.2830 0.3151890 404.7651 0.3018490 405.2473 0.2457280 405.7294 0.7646060 406.2115 1.026081 406.6936 1.023258 407.1757 0.9417380 407.6578 0.7706680 408.1400 0.5480420 408.6221 0.2504500 409.1042 0.1170500 409.5863 0.2911830 410.0684 0.1455500 410.5505 0.1926350 411.0327 0.4247890 411.5148 0.5544360 411.9969 0.6880230 412.4790 1.000526 412.9611 1.369591 413.4432 1.447361 413.9254 1.126850 414.4075 0.7530250 414.8896 0.7203480 415.3717 0.9221730 415.8538 1.110065 416.3359 1.176121 416.8181 1.167896 417.3002 1.131958 417.7823 1.067150 418.2644 0.9409900 418.7465 0.6926310 419.2286 0.3900830 419.7108 8.9778997E-02 420.1929 0.3436510 420.6750 0.5745470 421.1571 0.2270200 421.6392 0.4404950 422.1213 0.7489740 422.6035 0.1251680 423.0856 0.5562740 423.5677 0.9290580 424.0498 0.8755420 424.5319 0.8255350 425.0140 0.7678570 425.4962 0.7507360 425.9783 0.8199200 426.4604 0.9602320 426.9425 1.215584 427.4246 1.643326 427.9067 2.212734 428.3889 2.664860 428.8710 2.935390 429.3531 3.200981 429.8352 3.567799 430.3173 4.046566 430.7994 4.567822 431.2816 5.180389 431.7637 5.751087 432.2458 5.975723 432.7279 5.826797 433.2100 5.785782 433.6921 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