#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:45:10 +0300 (Thu, 26 Apr 2018) $ #$Revision: 559 $ #$URL: svn://172.16.1.111/rod/cif/2/31/00/2310002.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_2310002 loop_ _publ_author_name 'Strunz, V. H.' 'Contag, B.' _publ_section_title ; Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur Locality: synthetic ; _journal_name_full 'Acta Crystallographica' _journal_page_first 601 _journal_page_last 603 _journal_paper_doi 10.1107/S0365110X60001436 _journal_volume 13 _journal_year 1960 _chemical_compound_source R100016 _chemical_formula_sum 'Fe H6 O6 Sn' _chemical_name_mineral Natanite _space_group_IT_number 224 _symmetry_space_group_name_Hall '-P 4bc 2bc 3' _symmetry_space_group_name_H-M 'P n -3 m :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.79 _cell_length_b 7.79 _cell_length_c 7.79 _cell_volume 472.729 _exptl_crystal_density_diffrn 3.886 _cod_original_sg_symbol_H-M 'P n 3 m' _cod_original_formula_sum 'Fe Sn (O6 H6)' _cod_database_code 9011038 _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 R100016.rod _rod_data_source.block 3500000 _rod_database.code 2310002 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 9011038 COD http://www.crystallography.net/cod/9011038.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 91.66309 0.0000000E+00 92.14520 3.9565999E-02 92.62732 1.223129 93.10944 2.877502 93.59155 4.659760 94.07367 6.366135 94.55579 8.346375 95.03790 10.12589 95.52002 11.10107 96.00214 11.22522 96.48425 11.07562 96.96637 10.83269 97.44849 10.62198 97.93060 10.49321 98.41272 10.22498 98.89484 9.605133 99.37695 8.912048 99.85907 8.128067 100.3412 7.981750 100.8233 8.127045 101.3054 8.808975 101.7875 9.843613 102.2697 10.63893 102.7518 10.76317 103.2339 10.38940 103.7160 9.999985 104.1981 9.517380 104.6802 8.759705 105.1624 7.794373 105.6445 7.042862 106.1266 7.062317 106.6087 7.794067 107.0908 7.584930 107.5729 5.403809 108.0551 2.591415 108.5372 0.8612370 109.0193 0.6320800 109.5014 0.8552400 109.9835 0.5399780 110.4656 9.8678999E-02 110.9478 0.1315460 111.4299 0.5058750 111.9120 0.7573390 112.3941 0.8554080 112.8762 0.8263240 113.3583 0.5992890 113.8405 8.9171998E-02 114.3226 0.6848300 114.8047 1.567169 115.2868 2.428177 115.7689 3.361450 116.2510 3.991730 116.7332 4.118317 117.2153 4.090195 117.6974 4.134750 118.1795 4.324448 118.6616 4.575073 119.1437 4.690216 119.6259 4.418076 120.1080 4.306427 120.5901 4.377426 121.0722 4.614075 121.5543 5.059921 122.0364 5.768768 122.5186 6.631866 123.0007 7.017471 123.4828 6.946548 123.9649 6.530609 124.4470 5.544952 124.9291 4.145782 125.4113 2.939194 125.8934 2.365845 126.3755 2.340698 126.8576 2.207367 127.3397 2.016724 127.8218 1.681152 128.3040 0.9667210 128.7861 0.2297970 129.2682 1.222870 129.7503 1.440140 130.2324 1.125397 130.7145 0.5637050 131.1967 0.3561550 131.6788 1.448792 132.1609 2.115967 132.6430 2.130829 133.1251 2.011368 133.6072 1.918411 134.0894 1.893066 134.5715 2.013535 135.0536 2.369232 135.5357 2.979935 136.0178 3.591644 136.4999 4.195190 136.9821 4.804230 137.4642 5.439667 137.9463 6.095490 138.4284 6.737610 138.9105 7.358505 139.3926 8.065826 139.8748 8.413269 140.3569 8.099762 140.8390 7.706482 141.3211 7.581619 141.8032 7.820999 142.2853 8.360123 142.7675 9.148178 143.2496 10.68129 143.7317 11.47652 144.2138 10.63530 144.6959 9.258179 145.1780 8.847870 145.6602 10.03999 146.1423 12.08049 146.6244 13.41431 147.1065 13.97552 147.5886 14.31885 148.0707 14.65219 148.5529 14.93959 149.0350 15.00813 149.5171 14.64986 149.9992 14.19185 150.4813 14.13139 150.9634 14.45023 151.4456 15.21962 151.9277 16.88306 152.4098 19.59978 152.8919 21.59709 153.3740 21.44835 153.8561 20.55061 154.3383 19.91461 154.8204 19.83801 155.3025 20.14735 155.7846 20.48012 156.2667 20.99809 156.7488 21.13966 157.2310 20.41731 157.7131 19.44583 158.1952 18.85289 158.6773 18.96992 159.1594 19.61795 159.6415 20.12997 160.1237 20.58688 160.6058 20.77565 161.0879 20.49707 161.5700 19.96951 162.0521 19.52705 162.5342 19.40756 163.0164 19.56223 163.4985 19.24577 163.9806 17.86726 164.4627 16.65814 164.9448 15.98549 165.4269 15.76892 165.9091 15.76898 166.3912 15.83824 166.8733 15.99628 167.3554 16.04906 167.8375 15.80888 168.3196 15.60651 168.8018 15.73114 169.2839 16.15109 169.7660 16.48611 170.2481 16.38341 170.7302 15.85425 171.2123 15.42232 171.6945 15.25269 172.1766 15.13918 172.6587 14.71959 173.1408 13.88641 173.6229 13.29205 174.1050 13.87630 174.5872 15.23390 175.0693 16.28615 175.5514 16.65071 176.0335 16.51013 176.5156 16.18765 176.9977 15.63530 177.4799 15.02138 177.9620 14.30524 178.4441 13.59305 178.9262 13.19102 179.4083 13.46509 179.8904 14.29115 180.3726 14.82527 180.8547 14.88123 181.3368 14.82115 181.8189 14.81749 182.3010 14.85339 182.7831 14.85991 183.2653 14.77448 183.7474 14.59166 184.2295 14.40706 184.7116 14.06999 185.1937 13.86586 185.6758 14.15198 186.1580 14.74554 186.6401 15.04781 187.1222 14.29140 187.6043 12.10907 188.0864 10.78281 188.5685 10.80904 189.0507 11.16669 189.5328 11.42319 190.0149 11.50197 190.4970 11.49565 190.9791 11.51471 191.4612 11.59187 191.9434 11.57823 192.4255 11.42899 192.9076 11.23540 193.3897 11.07494 193.8718 10.97322 194.3539 10.84982 194.8361 10.60162 195.3182 10.15697 195.8003 9.757004 196.2824 9.246429 196.7645 8.883224 197.2466 8.987244 197.7288 9.627838 198.2109 10.45558 198.6930 11.09639 199.1751 11.61285 199.6572 11.77647 200.1393 11.43719 200.6215 10.71996 201.1036 9.617599 201.5857 7.951019 202.0678 6.494171 202.5499 6.479370 203.0320 7.749420 203.5142 8.971710 203.9963 9.832489 204.4784 10.34660 204.9605 10.40533 205.4426 9.810837 205.9247 8.909637 206.4069 8.036926 206.8890 7.248016 207.3711 6.554092 207.8532 5.948883 208.3353 5.434189 208.8174 5.050201 209.2996 4.900452 209.7817 4.767227 210.2638 4.612671 210.7459 4.393036 211.2280 3.891068 211.7101 2.623520 212.1923 0.6317440 212.6744 0.5428010 213.1565 0.1438290 213.6386 0.5769040 214.1207 1.023605 214.6028 1.203476 215.0850 1.370926 215.5671 1.857254 216.0492 2.755386 216.5313 3.237961 217.0134 2.609634 217.4955 2.115311 217.9777 2.375259 218.4598 3.294144 218.9419 4.317230 219.4240 4.879257 219.9061 4.891617 220.3882 4.884399 220.8704 4.851624 221.3525 4.807068 221.8346 4.833771 222.3167 4.882217 222.7988 4.766602 223.2809 4.221237 223.7631 3.004578 224.2452 2.404739 224.7273 2.871521 225.2094 3.447937 225.6915 3.627975 226.1736 3.418930 226.6558 3.161224 227.1379 3.214844 227.6200 3.659744 228.1021 4.080948 228.5842 4.460754 229.0663 4.833481 229.5485 5.251663 230.0306 5.697235 230.5127 6.075058 230.9948 6.275620 231.4769 6.255508 231.9590 6.289978 232.4412 6.675140 232.9233 6.887115 233.4054 6.301300 233.8875 5.007080 234.3696 3.972656 234.8517 4.266434 235.3339 6.092224 235.8160 6.953033 236.2981 6.061356 236.7802 4.804092 237.2623 4.177216 237.7444 4.246185 238.2266 4.540268 238.7087 4.729584 239.1908 4.797302 239.6729 4.748688 240.1550 4.310669 240.6371 3.936386 241.1193 4.177246 241.6014 5.049438 242.0835 5.767578 242.5656 5.566956 243.0477 4.696701 243.5298 4.249878 244.0120 4.940414 244.4941 5.714218 244.9762 5.377731 245.4583 3.858734 245.9404 2.430328 246.4225 1.962860 246.9047 2.183807 247.3868 2.508636 247.8689 3.069351 248.3510 3.520081 248.8331 3.430038 249.3152 2.754791 249.7974 1.953659 250.2795 1.114761 250.7616 0.3433070 251.2437 0.1839900 251.7258 0.3869630 252.2079 0.4097900 252.6901 0.3620910 253.1722 0.2231600 253.6543 0.1802980 254.1364 0.4386900 254.6185 0.7855380 255.1006 0.9739530 255.5828 0.8838960 256.0649 0.8134460 256.5470 1.205948 257.0291 2.156387 257.5112 2.971191 257.9933 3.328049 258.4755 3.489899 258.9576 3.639709 259.4397 3.819641 259.9218 3.941452 260.4039 3.851776 260.8860 3.497894 261.3682 3.235321 261.8503 3.579910 262.3324 3.766220 262.8145 3.237900 263.2966 1.906326 263.7787 0.2097780 264.2609 1.412247 264.7430 2.952133 265.2251 4.458984 265.7072 5.853302 266.1893 7.270584 266.6714 8.694672 267.1536 10.16951 267.6357 11.88034 268.1178 14.03415 268.5999 16.64989 269.0820 19.58180 269.5641 22.92352 270.0463 26.52847 270.5284 30.40857 271.0105 34.56635 271.4926 38.78999 271.9747 42.78444 272.4568 46.49930 272.9390 50.51001 273.4211 54.64728 273.9032 59.27725 274.3853 65.05518 274.8674 71.57368 275.3495 77.65651 275.8317 82.24002 276.3138 85.27826 276.7959 88.92349 277.2780 93.44080 277.7601 98.37453 278.2422 103.5141 278.7244 108.9779 279.2065 115.0950 279.6886 122.2536 280.1707 130.2649 280.6528 136.9860 281.1349 140.5919 281.6171 144.7522 282.0992 150.0092 282.5813 156.2820 283.0634 163.5591 283.5455 171.8873 284.0276 180.9638 284.5098 189.3913 284.9919 196.1447 285.4740 203.4946 285.9561 212.0190 286.4382 221.1684 286.9203 230.3936 287.4025 239.4019 287.8846 248.1930 288.3667 256.7378 288.8488 265.3289 289.3309 273.1756 289.8130 280.5779 290.2952 287.0643 290.7773 292.3192 291.2594 296.1895 291.7415 298.6545 292.2236 299.6562 292.7057 299.1059 293.1879 296.9336 293.6700 293.2919 294.1521 288.1731 294.6342 281.5682 295.1163 273.4844 295.5984 263.9034 296.0806 252.5565 296.5627 238.3015 297.0448 225.6749 297.5269 215.9024 298.0090 206.4854 298.4911 195.7500 298.9733 183.7844 299.4554 172.0213 299.9375 161.9776 300.4196 153.9978 300.9017 145.3581 301.3839 134.6292 301.8660 124.6869 302.3481 116.7267 302.8302 110.5608 303.3123 105.3762 303.7944 100.6373 304.2766 96.32816 304.7587 91.56070 305.2408 85.38600 305.7229 79.77049 306.2050 75.51601 306.6871 72.16806 307.1693 68.93002 307.6514 65.36349 308.1335 61.52246 308.6156 57.77002 309.0977 53.51154 309.5798 50.02763 310.0620 47.89178 310.5441 46.45135 311.0262 44.99234 311.5083 43.20871 311.9904 41.13667 312.4725 38.87846 312.9547 35.73880 313.4368 33.41891 313.9189 32.57065 314.4010 32.10001 314.8831 30.99500 315.3652 29.05247 315.8474 26.79869 316.3295 24.95430 316.8116 23.62862 317.2937 22.46629 317.7758 21.55142 318.2579 20.72279 318.7401 19.85249 319.2222 18.95250 319.7043 18.17902 320.1864 17.79932 320.6685 17.99437 321.1506 17.45831 321.6328 15.22307 322.1149 13.29369 322.5970 12.69214 323.0791 13.07686 323.5612 13.51144 324.0433 13.35445 324.5255 12.65602 325.0076 11.97002 325.4897 11.14044 325.9718 10.49944 326.4539 10.15869 326.9360 10.02850 327.4182 9.991516 327.9003 9.992233 328.3824 10.02316 328.8645 10.06502 329.3466 10.21909 329.8287 10.23619 330.3109 10.08406 330.7930 9.810059 331.2751 9.343597 331.7572 8.705566 332.2393 8.171722 332.7214 8.239822 333.2036 9.450439 333.6857 9.991684 334.1678 9.110443 334.6499 8.275742 335.1320 8.629456 335.6141 10.06439 336.0963 11.51074 336.5784 11.81227 337.0605 10.75432 337.5426 10.41473 338.0247 11.40559 338.5068 12.46707 338.9890 13.26900 339.4711 13.80721 339.9532 14.11174 340.4353 14.15640 340.9174 14.03683 341.3995 14.38588 341.8817 15.75671 342.3638 16.94930 342.8459 17.60445 343.3280 18.05586 343.8101 18.65132 344.2922 19.53973 344.7744 20.73718 345.2565 22.32066 345.7386 24.54095 346.2207 26.67133 346.7028 28.72572 347.1849 30.64453 347.6671 32.27943 348.1492 33.66350 348.6313 35.04265 349.1134 36.71574 349.5955 38.70050 350.0776 40.87749 350.5598 43.50734 351.0419 46.10611 351.5240 48.36179 352.0061 50.38730 352.4882 52.54115 352.9703 55.07993 353.4525 57.99356 353.9346 61.06775 354.4167 64.38371 354.8988 67.75581 355.3809 71.14429 355.8630 74.55042 356.3452 77.99008 356.8273 81.49979 357.3094 84.95877 357.7915 87.97681 358.2736 90.14162 358.7557 92.91216 359.2379 97.44026 359.7200 102.2209 360.2021 105.9594 360.6842 108.3948 361.1663 110.4397 361.6484 113.1685 362.1306 116.6295 362.6127 119.8687 363.0948 122.5376 363.5769 125.1749 364.0590 128.0550 364.5411 131.2105 365.0233 134.5879 365.5054 138.3077 365.9875 142.2257 366.4696 145.7474 366.9517 148.8324 367.4338 151.6492 367.9160 154.3071 368.3981 156.8692 368.8802 159.3131 369.3623 161.7037 369.8444 163.7904 370.3265 165.1464 370.8087 165.7136 371.2908 166.0015 371.7729 166.2109 372.2550 166.2320 372.7371 166.0475 373.2192 165.7127 373.7014 164.8387 374.1835 162.8156 374.6656 159.9201 375.1477 157.4785 375.6298 156.1204 376.1119 154.6975 376.5941 151.9629 377.0762 148.1452 377.5583 144.2285 378.0404 140.4630 378.5225 136.8453 379.0046 133.4084 379.4868 130.1816 379.9689 127.0157 380.4510 123.9139 380.9331 120.7684 381.4152 117.2644 381.8973 113.3908 382.3795 109.1597 382.8616 104.1777 383.3437 98.71692 383.8258 94.00565 384.3079 90.76041 384.7900 88.18671 385.2722 84.49951 385.7543 79.37444 386.2364 74.59607 386.7185 70.55855 387.2006 67.19487 387.6827 64.67828 388.1649 63.03926 388.6470 61.34424 389.1291 58.50555 389.6112 54.31943 390.0933 50.85384 390.5754 48.48201 391.0576 46.48227 391.5397 44.50552 392.0218 42.53726 392.5039 40.60703 392.9860 38.73792 393.4681 36.92163 393.9503 35.16331 394.4324 33.47635 394.9145 31.81400 395.3966 30.18498 395.8787 28.57008 396.3608 26.90636 396.8430 25.17935 397.3251 23.50430 397.8072 22.06783 398.2893 20.99774 398.7714 19.81352 399.2535 18.20825 399.7357 16.76715 400.2178 15.89996 400.6999 15.51819 401.1820 15.26564 401.6641 14.88576 402.1462 14.37666 402.6284 13.68663 403.1105 12.63326 403.5926 11.60602 404.0747 10.81174 404.5568 10.02844 405.0389 8.876862 405.5211 7.211578 406.0032 5.476608 406.4853 4.531036 406.9674 4.667236 407.4495 4.675278 407.9316 4.276260 408.4138 3.849213 408.8959 3.704742 409.3780 3.782135 409.8601 3.723495 410.3422 3.113754 410.8243 2.052505 411.3065 1.364197 411.7886 1.207169 412.2707 1.161545 412.7528 1.064957 413.2349 0.9416350 413.7170 0.8226620 414.1992 0.7140960 414.6813 0.6241150 415.1634 0.6535030 415.6455 0.8236080 416.1276 0.6806490 416.6097 0.1109920 417.0919 1.102722 417.5740 1.881104 418.0561 2.436325 418.5382 2.769043 419.0203 2.845642 419.5024 2.703003 419.9846 2.332977 420.4667 1.677841 420.9488 1.089386 421.4309 0.9439540 421.9130 1.098068 422.3951 1.028290 422.8773 0.5000000 423.3594 0.1222840 423.8415 0.7934880 424.3236 1.391907 424.8057 1.382751 425.2878 0.3976140 425.7700 1.055130 426.2521 1.908066 426.7342 2.102753 427.2163 2.006607 427.6984 1.480515 428.1805 0.7571110 428.6627 6.7123003E-02 429.1448 0.4930270 429.6269 0.8409880 430.1090 0.9146580 430.5911 0.7193300 431.0732 0.5258480 431.5554 0.1141510 432.0375 2.6077000E-02 432.5196 0.5256650 433.0017 1.386444 433.4838 1.922653 433.9659 1.861618 434.4481 1.497528 434.9302 1.360733 435.4123 1.263687 435.8944 1.533051 436.3765 2.745697 436.8586 3.917282 437.3408 4.276306 437.8229 3.899399 438.3050 3.470657 438.7871 3.602097 439.2692 4.210831 439.7513 4.367035 440.2335 3.408173 440.7156 2.969528 441.1977 4.004593 441.6798 5.628906 442.1619 6.673843 442.6440 6.688324 443.1262 6.337189 443.6083 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