#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:02:09 +0300 (Thu, 26 Apr 2018) $ #$Revision: 618 $ #$URL: svn://172.16.1.111/rod/cif/2/10/00/2100014.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_2100014 loop_ _publ_author_name 'Prichard, P.' 'Perrault, G.' _publ_section_title ; Structure cristalline de l'ekanite de St-Hilaire, P.Q. ; _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 1994 _journal_page_last 1999 _journal_paper_doi 10.1107/S0567740872005412 _journal_volume 28 _journal_year 1972 _chemical_compound_source 'Mont St-Hilaire, Quebec, Canada' _chemical_formula_sum 'Ca0.74 Ce0.03 K0.6 Mg0.04 Mn0.2 Na0.9 O20 Pb0.01 Si8 Th0.88' _chemical_name_mineral Steacyite _space_group_IT_number 124 _symmetry_space_group_name_Hall '-P 4 2c' _symmetry_space_group_name_H-M 'P 4/m c c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.58 _cell_length_b 7.58 _cell_length_c 14.77 _cell_volume 848.631 _exptl_crystal_density_diffrn 3.291 _cod_original_formula_sum 'K.6 Na.9 Ca.74 Mn.2 Mg.04 Th.88 Ce.03 Pb.01 Si8 O20' _cod_database_code 9015318 _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 R130053.rod _rod_data_source.block 3500000 _rod_database.code 2100014 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 9015318 COD http://www.crystallography.net/cod/9015318.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 102.7704 0.0000000E+00 103.2525 0.6441800 103.7346 0.5168760 104.2167 1.7975001E-02 104.6988 6.8210000E-03 105.1810 0.4421540 105.6631 1.082245 106.1452 1.788010 106.6273 2.616516 107.1094 3.091080 107.5915 2.415710 108.0737 1.689255 108.5558 1.400482 109.0379 1.437149 109.5200 1.468307 110.0021 1.081421 110.4842 0.1603090 110.9664 7.5409003E-02 111.4485 0.7142030 111.9306 1.614197 112.4127 2.336166 112.8948 2.881821 113.3769 3.324829 113.8591 3.770447 114.3412 4.160416 114.8233 4.476273 115.3054 4.740509 115.7875 4.982361 116.2696 5.280029 116.7517 5.699860 117.2339 6.117828 117.7160 6.195206 118.1981 5.648575 118.6802 5.282471 119.1623 5.328735 119.6444 5.722351 120.1266 6.352829 120.6087 7.372162 121.0908 8.484650 121.5729 9.126144 122.0550 9.175369 122.5371 9.024429 123.0193 8.816116 123.5014 8.526779 123.9835 8.269882 124.4656 7.841751 124.9477 7.466278 125.4298 7.458008 125.9120 8.054871 126.3941 8.907211 126.8762 9.396271 127.3583 9.370773 127.8404 9.315643 128.3225 9.408096 128.8047 9.561295 129.2868 9.651474 129.7689 9.521790 130.2510 9.420288 130.7331 9.478027 131.2152 9.501068 131.6974 9.636459 132.1795 9.578094 132.6616 9.182678 133.1437 8.592575 133.6258 8.508911 134.1079 8.809616 134.5901 9.030716 135.0722 9.291763 135.5543 9.507126 136.0364 9.761963 136.5185 10.04437 137.0006 10.18298 137.4828 10.04036 137.9649 9.514679 138.4470 8.990906 138.9291 8.450027 139.4112 7.990158 139.8933 7.741135 140.3755 7.797195 140.8576 7.840424 141.3397 7.262512 141.8218 6.107437 142.3039 5.219421 142.7860 5.199661 143.2681 5.785934 143.7503 5.999237 144.2324 5.386688 144.7145 4.616486 145.1966 4.318390 145.6787 4.494751 146.1608 4.746338 146.6430 4.774918 147.1251 4.576141 147.6072 4.231232 148.0893 3.443710 148.5714 2.700058 149.0535 2.310501 149.5357 2.335739 150.0178 2.558029 150.4999 2.665558 150.9820 2.625381 151.4641 2.531204 151.9462 2.348953 152.4284 2.152328 152.9105 2.004578 153.3926 1.938797 153.8747 1.900375 154.3568 1.738602 154.8389 1.245789 155.3211 0.8770140 155.8032 0.8219600 156.2853 0.8520660 156.7674 0.6348270 157.2495 1.5853999E-02 157.7316 0.9341740 158.2138 1.390686 158.6959 0.8768310 159.1780 0.5424190 159.6601 0.7706760 160.1422 1.394470 160.6243 1.679779 161.1065 1.859100 161.5886 1.883636 162.0707 1.618988 162.5528 0.6607970 163.0349 0.1925200 163.5170 0.3417210 163.9991 0.1419680 164.4813 0.5531460 164.9634 0.3956760 165.4455 0.1372380 165.9276 0.5554500 166.4097 0.7343440 166.8918 0.8428040 167.3740 1.117371 167.8561 1.614700 168.3382 1.992920 168.8203 1.904724 169.3024 1.632187 169.7845 1.503265 170.2667 1.696625 170.7488 2.071564 171.2309 2.275772 171.7130 2.142105 172.1951 2.152351 172.6772 2.503815 173.1594 3.085823 173.6415 3.774986 174.1236 4.561852 174.6057 5.387947 175.0878 5.874939 175.5699 5.624695 176.0521 5.466019 176.5342 5.731079 177.0163 6.242119 177.4984 6.667183 177.9805 6.751381 178.4626 6.492836 178.9448 6.317055 179.4269 6.181763 179.9090 6.161163 180.3911 6.340851 180.8732 6.666702 181.3553 7.007263 181.8375 7.244629 182.3196 7.358238 182.8017 7.566536 183.2838 7.926498 183.7659 8.308189 184.2480 8.685608 184.7301 9.036697 185.2123 9.314842 185.6944 9.483170 186.1765 9.529099 186.6586 9.450630 187.1407 9.081833 187.6228 8.709366 188.1050 8.555618 188.5871 8.641434 189.0692 8.826683 189.5513 9.012520 190.0334 9.192848 190.5155 9.288368 190.9977 9.164078 191.4798 9.012520 191.9619 9.092323 192.4440 9.469231 192.9261 9.890877 193.4082 10.14339 193.8904 10.25620 194.3725 10.25159 194.8546 10.08289 195.3367 9.808472 195.8188 9.513664 196.3009 9.152229 196.7831 8.896469 197.2652 8.916542 197.7473 9.135696 198.2294 9.371910 198.7115 9.506783 199.1936 9.570099 199.6758 9.718201 200.1579 10.04018 200.6400 10.34123 201.1221 10.42061 201.6042 10.38277 202.0863 10.49272 202.5685 11.06769 203.0506 12.06527 203.5327 12.66621 204.0148 12.52100 204.4969 12.29991 204.9790 12.26879 205.4612 12.37080 205.9433 12.42526 206.4254 12.26896 206.9075 11.89013 207.3896 11.59967 207.8717 11.50514 208.3539 11.40987 208.8360 11.21550 209.3181 10.95790 209.8002 10.74404 210.2823 10.67900 210.7644 10.78370 211.2466 10.86003 211.7287 10.89835 212.2108 10.92012 212.6929 10.87904 213.1750 10.81236 213.6571 10.85480 214.1393 11.18125 214.6214 11.91039 215.1035 11.94173 215.5856 10.73153 216.0677 9.438828 216.5498 8.672943 217.0320 8.417435 217.5141 8.332031 217.9962 8.142502 218.4783 7.864784 218.9604 7.450989 219.4425 6.594849 219.9247 5.895599 220.4068 5.899384 220.8889 6.541718 221.3710 7.191116 221.8531 7.313370 222.3352 6.855591 222.8174 6.427490 223.2995 6.059525 223.7816 5.718323 224.2637 5.390030 224.7458 5.070755 225.2279 4.755814 225.7100 4.463837 226.1922 4.174728 226.6743 3.784134 227.1564 3.090500 227.6385 2.412277 228.1206 2.057617 228.6027 2.047485 229.0849 2.216873 229.5670 2.613449 230.0491 3.095154 230.5312 3.265015 231.0133 2.709976 231.4954 2.009064 231.9776 1.904510 232.4597 2.484573 232.9418 3.038910 233.4239 2.973511 233.9060 2.610245 234.3881 2.435043 234.8703 2.605042 235.3524 2.985489 235.8345 3.454880 236.3166 4.062195 236.7987 4.558670 237.2808 4.738419 237.7630 4.761780 238.2451 4.799942 238.7272 4.927643 239.2093 5.061035 239.6914 5.026459 240.1735 4.742371 240.6557 4.554367 241.1378 4.765182 241.6199 5.064041 242.1020 5.083527 242.5841 4.623596 243.0662 4.071213 243.5484 4.144684 244.0305 5.072327 244.5126 6.011536 244.9947 6.882553 245.4768 7.587158 245.9589 7.976212 246.4410 7.987976 246.9232 7.825760 247.4053 7.859207 247.8874 8.206070 248.3695 8.465652 248.8516 8.475891 249.3337 8.433350 249.8159 8.504166 250.2980 8.737732 250.7801 9.031448 251.2622 9.235916 251.7443 9.385590 252.2264 9.340164 252.7086 8.805649 253.1907 8.283371 253.6728 8.075516 254.1549 8.277573 254.6370 8.858902 255.1191 9.935349 255.6013 12.22780 256.0834 13.37723 256.5655 12.65480 257.0476 11.50626 257.5297 10.81396 258.0118 10.76505 258.4940 11.03629 258.9761 11.21249 259.4582 11.28838 259.9403 11.26752 260.4224 11.06180 260.9045 10.85422 261.3867 10.75453 261.8688 10.77287 262.3509 10.84354 262.8330 10.88812 263.3151 10.87767 263.7972 10.95561 264.2794 11.21213 264.7615 11.46364 265.2436 11.59822 265.7257 11.61998 266.2078 11.61400 266.6899 11.67323 267.1721 11.82715 267.6542 11.83525 268.1363 11.61281 268.6184 11.35443 269.1005 11.17331 269.5826 11.07262 270.0648 10.96130 270.5469 10.75264 271.0290 10.42366 271.5111 10.19077 271.9932 10.23517 272.4753 10.17876 272.9575 9.764542 273.4396 9.121338 273.9217 8.581650 274.4038 8.370850 274.8859 8.466812 275.3680 8.627243 275.8501 9.140991 276.3322 9.386032 276.8144 8.982025 277.2965 8.135406 277.7786 7.300735 278.2607 6.719162 278.7428 6.360535 279.2249 6.092743 279.7071 5.978622 280.1892 5.857330 280.6713 5.669891 281.1534 5.444839 281.6355 5.255936 282.1176 5.151917 282.5998 5.065811 283.0819 4.761856 283.5640 3.836655 284.0461 3.441803 284.5282 4.427658 285.0103 5.915482 285.4925 6.493866 285.9746 5.629028 286.4567 4.133179 286.9388 3.437302 287.4209 3.774414 287.9030 4.062820 288.3852 4.064117 288.8673 3.975571 289.3494 4.061081 289.8315 4.406937 290.3136 4.722198 290.7957 4.577591 291.2779 3.895599 291.7600 3.342468 292.2421 3.128540 292.7242 2.989227 293.2063 2.543564 293.6884 1.753769 294.1706 1.160324 294.6527 1.400055 295.1348 2.480164 295.6169 3.071945 296.0990 2.829956 296.5811 2.301849 297.0633 1.785110 297.5454 1.324478 298.0275 1.091980 298.5096 1.300049 298.9917 1.860535 299.4738 2.154129 299.9560 1.947998 300.4381 1.690796 300.9202 1.718201 301.4023 1.951889 301.8844 1.987991 302.3665 1.510696 302.8487 0.7705540 303.3308 0.5259400 303.8129 1.035172 304.2950 1.559860 304.7771 1.706970 305.2592 1.613937 305.7414 1.658676 306.2235 2.019760 306.7056 2.515335 307.1877 2.775757 307.6698 2.762344 308.1519 2.743210 308.6341 2.830841 309.1162 2.963120 309.5983 3.020477 310.0804 2.961792 310.5625 2.871002 311.0446 2.919571 311.5268 3.130615 312.0089 3.092789 312.4910 2.402252 312.9731 1.569351 313.4552 1.218933 313.9373 1.449234 314.4195 1.939743 314.9016 2.521271 315.3837 3.163071 315.8658 3.501404 316.3479 3.293640 316.8300 2.921387 317.3121 2.702820 317.7943 2.638489 318.2764 2.546432 318.7585 2.284668 319.2406 1.897491 319.7227 1.610214 320.2048 1.521835 320.6870 1.431839 321.1691 1.186661 321.6512 0.8379820 322.1333 0.5540920 322.6154 0.3978420 323.0975 0.3786770 323.5797 0.5522610 324.0618 1.078232 324.5439 1.431152 325.0260 1.378784 325.5081 1.035355 325.9902 0.5783540 326.4724 3.5202000E-02 326.9545 0.5097350 327.4366 0.9677280 327.9187 1.394470 328.4008 1.505341 328.8829 0.9254000 329.3651 0.1497800 329.8472 0.2384640 330.3293 0.1383970 330.8114 0.1878510 331.2935 0.5216220 331.7756 0.8636020 332.2578 1.166992 332.7399 1.505478 333.2220 1.748322 333.7041 1.768478 334.1862 1.581589 334.6683 1.312973 335.1505 1.016495 335.6326 0.7154080 336.1147 0.5605470 336.5968 0.6720730 337.0789 0.7814790 337.5610 0.7778020 338.0432 0.6850740 338.5253 0.5388180 339.0074 0.3318790 339.4895 0.1344150 339.9716 0.1675110 340.4537 0.5883180 340.9359 0.9161220 341.4180 1.052231 341.9001 1.048889 342.3822 0.9959720 342.8643 0.9200740 343.3464 0.7064970 343.8286 0.1160890 344.3107 1.196564 344.7928 1.768280 345.2749 0.8625180 345.7570 0.2874150 346.2391 0.6834410 346.7213 0.2872470 347.2034 0.2697450 347.6855 0.4155270 348.1676 0.1220090 348.6497 4.0725999E-02 349.1318 0.3760830 349.6140 0.6818850 350.0961 0.6517490 350.5782 0.4374850 351.0603 0.4254910 351.5424 0.8601680 352.0245 1.625610 352.5067 2.231155 352.9888 2.550797 353.4709 2.865921 353.9530 3.200760 354.4351 3.550583 354.9172 3.917099 355.3994 4.299026 355.8815 4.678574 356.3636 5.022034 356.8457 5.257309 357.3278 5.611008 357.8099 6.290924 358.2920 6.923767 358.7741 7.161850 359.2563 7.039078 359.7384 6.904221 360.2205 7.101929 360.7026 7.664352 361.1847 8.258179 361.6668 9.057022 362.1490 9.706131 362.6311 9.868790 363.1132 9.811752 363.5953 10.05725 364.0774 10.94611 364.5595 12.30887 365.0417 13.41911 365.5238 14.04431 366.0059 14.72072 366.4880 15.62820 366.9701 16.55258 367.4522 17.22253 367.9344 17.56679 368.4165 17.83403 368.8986 18.44540 369.3807 19.57536 369.8628 20.57391 370.3449 21.34428 370.8271 22.05426 371.3092 22.79785 371.7913 23.57135 372.2734 24.32639 372.7555 25.00253 373.2376 25.60291 373.7198 26.25368 374.2019 26.81648 374.6840 27.63042 375.1661 28.87888 375.6482 30.41687 376.1303 32.04088 376.6125 33.69344 377.0946 35.30293 377.5767 36.66797 378.0588 37.65306 378.5409 38.77739 379.0230 40.40274 379.5052 42.08865 379.9873 43.44582 380.4694 44.40051 380.9515 45.28777 381.4336 46.46118 381.9157 47.91556 382.3979 49.30698 382.8800 50.57513 383.3621 51.78448 383.8442 52.94290 384.3263 54.06491 384.8084 55.24615 385.2906 56.54817 385.7727 57.94254 386.2548 59.43323 386.7369 61.10367 387.2190 62.71925 387.7011 64.11319 388.1833 65.32973 388.6654 66.40305 389.1475 67.25673 389.6296 68.12045 390.1117 69.23817 390.5938 70.57890 391.0760 71.90070 391.5581 73.21257 392.0402 74.39052 392.5223 75.27199 393.0044 75.86494 393.4865 76.28259 393.9687 76.36389 394.4508 76.34070 394.9329 76.63937 395.4150 77.35004 395.8971 78.17268 396.3792 78.96263 396.8614 79.66904 397.3435 79.94836 397.8256 79.32930 398.3077 78.64307 398.7898 78.53693 399.2719 78.87314 399.7540 79.10896 400.2361 78.98927 400.7183 78.56763 401.2004 77.97672 401.6825 77.19159 402.1646 76.33717 402.6467 75.49002 403.1288 74.55341 403.6110 73.24016 404.0931 71.53459 404.5752 70.02448 405.0573 69.43285 405.5394 70.03970 406.0215 70.12804 406.5037 69.70705 406.9858 68.84109 407.4679 67.37981 407.9500 65.48976 408.4321 63.50691 408.9142 61.60464 409.3964 59.80446 409.8785 58.17838 410.3606 57.05356 410.8427 55.67430 411.3248 53.77046 411.8069 51.70145 412.2891 49.73921 412.7712 47.98112 413.2533 46.46301 413.7354 45.30261 414.2175 44.63693 414.6996 43.75404 415.1818 42.54460 415.6639 41.21631 416.1460 39.75734 416.6281 38.23424 417.1102 36.79402 417.5923 35.51271 418.0745 34.38470 418.5566 33.35687 419.0387 32.39038 419.5208 31.63379 420.0029 31.63617 420.4850 31.59508 420.9672 30.59702 421.4493 28.40175 421.9314 25.99739 422.4135 24.35437 422.8956 23.45050 423.3777 22.79736 423.8599 22.57304 424.3420 22.23917 424.8241 21.21944 425.3062 19.71725 425.7883 18.46677 426.2704 18.02901 426.7526 17.90315 427.2347 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