#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:48:17 +0300 (Thu, 24 May 2018) $ #$Revision: 785 $ #$URL: svn://172.16.1.111/rod/cif/2/31/00/2310007.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_2310007 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 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 R100016.rod _rod_data_source.block 3500000 _rod_database.code 2310007 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 126.7265 0.0000000E+00 127.2086 0.9218590 127.6907 1.501391 128.1729 2.508556 128.6550 2.576160 129.1371 1.187452 129.6192 7.5044997E-02 130.1013 0.4278340 130.5834 0.3340090 131.0656 0.1124250 131.5477 0.1166570 132.0298 0.2655700 132.5119 0.1222190 132.9940 0.3746950 133.4761 1.145374 133.9583 2.245731 134.4404 3.701397 134.9225 5.161270 135.4046 6.280037 135.8867 7.058548 136.3688 7.980122 136.8510 9.177628 137.3331 10.52587 137.8152 11.72480 138.2973 12.71353 138.7794 13.73521 139.2615 15.05320 139.7437 16.69512 140.2258 18.38541 140.7079 20.04920 141.1900 21.68344 141.6721 23.52439 142.1542 25.50915 142.6364 27.75378 143.1185 30.40939 143.6006 33.54845 144.0827 36.88692 144.5648 40.34781 145.0469 44.02631 145.5291 47.63547 146.0112 51.38326 146.4933 55.00591 146.9754 58.21268 147.4575 60.72095 147.9396 63.09060 148.4218 65.48503 148.9039 67.83511 149.3860 70.32629 149.8681 73.32161 150.3502 76.37804 150.8323 78.61913 151.3145 79.02718 151.7966 79.43797 152.2787 80.45016 152.7608 82.17426 153.2429 84.34186 153.7250 87.70548 154.2072 91.60732 154.6893 94.20430 155.1714 92.90115 155.6535 90.34799 156.1356 89.10217 156.6177 90.61771 157.0999 92.10100 157.5820 93.06319 158.0641 93.60014 158.5462 94.07837 159.0283 94.62830 159.5104 95.13800 159.9926 95.53512 160.4747 95.78539 160.9568 95.94454 161.4389 95.92477 161.9210 95.75488 162.4031 95.77992 162.8853 96.33237 163.3674 97.05057 163.8495 97.59961 164.3316 97.88757 164.8137 97.97043 165.2958 97.84030 165.7780 97.50185 166.2601 97.06277 166.7422 96.27299 167.2243 95.48836 167.7064 95.16106 168.1885 96.10130 168.6707 97.12070 169.1528 97.35216 169.6349 96.73969 170.1170 95.79618 170.5991 94.47908 171.0812 93.10492 171.5634 92.22748 172.0455 91.95421 172.5276 92.34918 173.0097 94.02095 173.4918 97.34615 173.9739 99.87234 174.4561 98.38716 174.9382 94.42755 175.4203 91.68459 175.9024 93.79115 176.3845 97.66663 176.8666 98.82309 177.3488 96.39137 177.8309 92.87189 178.3130 90.78743 178.7951 89.87247 179.2772 89.20515 179.7593 88.02176 180.2415 86.74484 180.7236 86.26941 181.2057 86.84549 181.6878 87.89076 182.1699 88.49188 182.6520 88.74661 183.1342 89.49850 183.6163 92.77235 184.0984 97.13155 184.5805 97.60440 185.0626 92.72826 185.5447 85.55861 186.0269 80.99878 186.5090 78.99971 186.9911 77.96562 187.4732 77.14235 187.9553 76.44080 188.4374 75.28893 188.9196 73.33739 189.4017 71.11969 189.8838 69.95233 190.3659 69.88025 190.8480 69.98059 191.3301 69.53072 191.8123 68.58665 192.2944 67.66064 192.7765 66.86623 193.2586 66.14864 193.7407 65.38054 194.2228 64.57600 194.7050 63.63647 195.1871 62.27444 195.6692 60.49812 196.1513 59.27014 196.6334 58.97171 197.1155 59.32091 197.5977 59.28448 198.0798 58.85039 198.5619 58.23718 199.0440 57.52193 199.5261 56.63298 200.0082 55.90233 200.4904 55.54082 200.9725 55.44118 201.4546 54.73466 201.9367 53.23694 202.4188 51.74933 202.9009 51.18304 203.3831 51.66293 203.8652 51.95312 204.3473 51.77051 204.8294 51.10147 205.3115 49.92584 205.7936 48.02252 206.2758 46.02731 206.7579 44.81914 207.2400 44.74904 207.7221 44.28125 208.2042 42.83029 208.6863 40.42789 209.1685 38.77840 209.6506 38.10574 210.1327 37.78972 210.6148 37.07053 211.0969 35.77316 211.5790 34.68654 212.0612 34.07076 212.5433 33.93660 213.0254 33.69783 213.5075 33.29495 213.9896 32.86621 214.4717 32.61279 214.9538 32.64987 215.4360 32.54675 215.9181 32.16138 216.4002 31.46991 216.8823 30.79358 217.3644 30.06407 217.8465 29.42368 218.3287 29.11852 218.8108 29.38835 219.2929 29.43900 219.7750 29.00186 220.2571 28.00319 220.7392 27.18448 221.2214 26.56778 221.7035 26.10756 222.1856 25.80101 222.6677 25.82455 223.1498 25.61594 223.6319 24.89519 224.1141 23.53273 224.5962 22.69704 225.0783 22.62201 225.5604 22.86653 226.0425 22.83662 226.5246 22.34903 227.0068 21.93427 227.4889 21.73897 227.9710 21.79648 228.4531 21.87848 228.9352 21.98317 229.4173 22.11237 229.8995 22.28441 230.3816 22.63734 230.8637 22.79688 231.3458 22.64746 231.8279 22.16861 232.3100 21.52475 232.7922 20.57243 233.2743 19.57387 233.7564 18.84116 234.2385 18.32939 234.7206 18.18848 235.2027 18.65221 235.6849 19.93674 236.1670 20.37543 236.6491 19.56314 237.1312 18.23598 237.6133 17.34970 238.0954 17.20366 238.5776 16.95834 239.0597 16.27281 239.5418 14.99358 240.0239 14.41066 240.5060 14.89873 240.9881 15.77370 241.4703 16.22058 241.9524 16.24022 242.4345 15.82147 242.9166 14.80743 243.3987 13.06018 243.8808 11.78030 244.3630 11.16824 244.8451 10.84286 245.3272 10.36336 245.8093 9.690796 246.2914 8.924088 246.7735 7.984848 247.2557 6.810150 247.7378 6.132278 248.2199 6.170013 248.7020 6.483032 249.1841 6.592957 249.6662 6.426117 250.1484 6.194733 250.6305 5.988174 251.1126 5.820740 251.5947 5.294418 252.0768 4.174225 252.5589 2.941696 253.0411 2.173462 253.5232 2.246704 254.0053 1.971924 254.4874 1.071884 254.9695 0.4655000 255.4516 2.210571 255.9338 4.492554 256.4159 6.570877 256.8980 7.613098 257.3801 7.185974 257.8622 6.759735 258.3444 6.531219 258.8265 6.498169 259.3086 6.890259 259.7907 7.978546 260.2728 9.088760 260.7549 9.656708 261.2371 9.668350 261.7192 9.175369 262.2013 8.135666 262.6834 6.568253 263.1655 4.722061 263.6476 2.326035 264.1298 7.3821999E-02 264.6119 1.330933 265.0940 1.360580 265.5761 2.289688 266.0582 4.629578 266.5403 8.134003 267.0225 11.49629 267.5046 14.58205 267.9867 17.75105 268.4688 21.22699 268.9509 25.04720 269.4330 29.15094 269.9152 33.46664 270.3973 38.08896 270.8794 43.27774 271.3615 49.11469 271.8436 55.26744 272.3257 61.39191 272.8079 67.49641 273.2900 73.68335 273.7721 79.98599 274.2542 86.43329 274.7363 93.09814 275.2184 99.86398 275.7006 107.2536 276.1827 115.6604 276.6648 125.2346 277.1469 134.3824 277.6290 142.7742 278.1111 150.9359 278.5933 159.9473 279.0754 169.9229 279.5575 180.5818 280.0396 192.0647 280.5217 204.2753 281.0038 216.0959 281.4860 227.1821 281.9681 238.3683 282.4502 251.1637 282.9323 265.6141 283.4144 280.9138 283.8965 297.0053 284.3787 313.6801 284.8608 330.1255 285.3429 346.2306 285.8250 362.3694 286.3071 379.4217 286.7892 397.3567 287.2714 414.6515 287.7535 431.2579 288.2356 446.9845 288.7177 459.8536 289.1998 469.9794 289.6819 477.5852 290.1641 483.0306 290.6462 486.2676 291.1283 486.8352 291.6104 484.3454 292.0925 479.0743 292.5746 471.8681 293.0568 462.7133 293.5389 451.5134 294.0210 437.9304 294.5031 422.1966 294.9852 405.2862 295.4673 387.2837 295.9495 368.5343 296.4316 349.8468 296.9137 331.3051 297.3958 313.2374 297.8779 295.8678 298.3600 279.3051 298.8422 263.3820 299.3243 247.9821 299.8064 233.2454 300.2885 219.0421 300.7706 205.5141 301.2527 193.1639 301.7349 183.2802 302.2170 174.7451 302.6991 165.8341 303.1812 155.8707 303.6633 145.7988 304.1454 136.1978 304.6276 127.2327 305.1097 119.2946 305.5918 113.2672 306.0739 108.2233 306.5560 103.1608 307.0381 97.79941 307.5203 92.60080 308.0024 88.26266 308.4845 84.39246 308.9666 80.06952 309.4487 73.97354 309.9308 67.71744 310.4130 62.74979 310.8951 59.31332 311.3772 56.68710 311.8593 55.08362 312.3414 53.93652 312.8235 52.28989 313.3057 49.16406 313.7878 45.78271 314.2699 43.04242 314.7520 41.09167 315.2341 38.92249 315.7162 35.41519 316.1984 31.62207 316.6805 28.76074 317.1626 28.12683 317.6447 27.54788 318.1268 26.11340 318.6089 23.87268 319.0911 21.70709 319.5732 20.23166 320.0553 18.82367 320.5374 17.02542 321.0195 13.44281 321.5016 10.86768 321.9838 10.47809 322.4659 11.75784 322.9480 12.47476 323.4301 11.85931 323.9122 10.81308 324.3943 9.782288 324.8765 8.360046 325.3586 7.592743 325.8407 8.018707 326.3228 9.186279 326.8049 9.950806 327.2870 9.843994 327.7692 9.662384 328.2513 9.732239 328.7334 10.39163 329.2155 10.51697 329.6976 9.759766 330.1797 8.580170 330.6619 7.708191 331.1440 7.327057 331.6261 6.993805 332.1082 6.522125 332.5903 5.843201 333.0724 5.597443 333.5546 5.913147 334.0367 6.546600 334.5188 7.241150 335.0009 7.989075 335.4830 8.842438 335.9651 9.912659 336.4473 11.15790 336.9294 11.86310 337.4115 11.76086 337.8936 11.64545 338.3757 12.21671 338.8578 13.63751 339.3399 14.93680 339.8221 15.95566 340.3042 16.79007 340.7863 17.57831 341.2684 18.24269 341.7505 19.28854 342.2326 21.31100 342.7148 24.28384 343.1969 26.54897 343.6790 27.74585 344.1611 28.64001 344.6432 30.57623 345.1253 33.54185 345.6075 36.76755 346.0896 39.95045 346.5717 43.10617 347.0538 46.03514 347.5359 48.66238 348.0180 51.58853 348.5002 55.78526 348.9823 60.97702 349.4644 66.03909 349.9465 70.60519 350.4286 74.75113 350.9107 78.52625 351.3929 81.93417 351.8750 85.40012 352.3571 88.96124 352.8392 92.88373 353.3213 97.69836 353.8034 103.8177 354.2856 110.4851 354.7677 117.4513 355.2498 124.4959 355.7319 130.8631 356.2140 135.3016 356.6961 139.2311 357.1783 144.2614 357.6604 150.9644 358.1425 157.7729 358.6246 163.5233 359.1067 168.8028 359.5888 174.6624 360.0710 182.3427 360.5531 189.9017 361.0352 195.9892 361.5173 200.3034 361.9994 205.2392 362.4815 212.3309 362.9637 220.2912 363.4458 227.7255 363.9279 234.4337 364.4100 240.4569 364.8921 245.2531 365.3742 248.9402 365.8564 253.1565 366.3385 259.4645 366.8206 265.6325 367.3027 270.2870 367.7848 271.4606 368.2669 273.3484 368.7491 276.9669 369.2312 281.4930 369.7133 284.4982 370.1954 285.2631 370.6775 285.3193 371.1596 285.2180 371.6418 285.0623 372.1239 284.4976 372.6060 283.9699 373.0881 282.7827 373.5702 279.6070 374.0523 273.3521 374.5345 267.5640 375.0166 263.4137 375.4987 260.8420 375.9808 257.2662 376.4629 252.5065 376.9450 247.0642 377.4272 241.1502 377.9093 234.6760 378.3914 227.9760 378.8735 220.9431 379.3556 213.7578 379.8377 206.8376 380.3199 200.2785 380.8020 193.4613 381.2841 185.6548 381.7662 177.0624 382.2483 169.2872 382.7304 162.4748 383.2126 156.2656 383.6947 150.1676 384.1768 144.1693 384.6589 138.2384 385.1410 132.1258 385.6231 126.0522 386.1053 120.2280 386.5874 114.6922 387.0695 109.4568 387.5516 104.6193 388.0337 100.0004 388.5158 95.31789 388.9980 90.24292 389.4801 85.26620 389.9622 80.95407 390.4443 77.20325 390.9264 73.46704 391.4085 69.14046 391.8907 64.92540 392.3728 61.46971 392.8549 59.23471 393.3370 56.97447 393.8191 54.12794 394.3012 50.94476 394.7834 47.83698 395.2655 44.46970 395.7476 41.59822 396.2297 39.79640 396.7118 39.28781 397.1939 38.20828 397.6761 35.57188 398.1582 32.61516 398.6403 30.36137 399.1224 30.17963 399.6045 29.15730 400.0866 26.39754 400.5688 22.33287 401.0509 19.63800 401.5330 19.13948 402.0151 18.98051 402.4972 18.24429 402.9793 16.57323 403.4615 15.29190 403.9436 14.63077 404.4257 14.17503 404.9078 13.13002 405.3899 11.27060 405.8720 9.661423 406.3542 8.706192 406.8363 8.349716 407.3184 7.973465 407.8005 7.589157 408.2826 7.115677 408.7647 6.428055 409.2469 5.543900 409.7290 4.659805 410.2111 3.783203 410.6932 2.958313 411.1753 2.242157 411.6574 1.648468 412.1396 1.219376 412.6217 1.160843 413.1038 1.258789 413.5859 1.059769 414.0680 0.4842070 414.5501 0.1532440 415.0323 0.4449310 415.5144 0.5867160 415.9965 0.9824520 416.4786 2.439163 416.9607 3.742538 417.4428 3.728729 417.9250 2.526566 418.4071 1.393951 418.8892 0.9716030 419.3713 0.9367680 419.8534 1.041855 420.3355 1.333786 420.8177 1.590668 421.2998 1.847961 421.7819 2.017700 422.2640 1.916138 422.7461 1.036560 423.2282 0.2743230 423.7104 1.2820000E-03 424.1925 0.3823550 424.6746 0.6376190 425.1567 0.7402190 425.6388 0.6999820 426.1209 0.4983220 426.6031 0.1041260 427.0852 0.2442780 427.5673 0.4120180 428.0494 0.5358580 428.5315 0.9078220 429.0136 1.714508 429.4958 2.505814 429.9779 2.913925 430.4600 2.833252 430.9421 3.032700 431.4242 3.592957 431.9063 4.313980 432.3885 4.987183 432.8706 5.617111 433.3527 5.891953 433.8348 5.450684 434.3169 4.628662 434.7990 4.469070 435.2812 4.965012 435.7633 5.861023 436.2454 7.327682 436.7275 9.014282 437.2096 10.03133 437.6917 10.01163 438.1739 9.800034 438.6560 10.28629 439.1381 11.29520 439.6202 12.36078 440.1023 13.44872 440.5844 14.36613 441.0666 14.85541 441.5487 14.85857 442.0308 14.88736 442.5129 15.39153 442.9950 16.00790 443.4771 16.40340 443.9593 16.22763 444.4414 16.09003 444.9235 16.15923 445.4056 16.38509 445.8877 16.59962 446.3698 16.84872 446.8520 17.04509 447.3341 17.14485 447.8162 17.11237 448.2983 17.09018 448.7804 17.04457 449.2625 17.01202 449.7447 17.06735 450.2268 17.37766 450.7089 17.47357 451.1910 17.17897 451.6731 16.59102 452.1552 16.25174 452.6374 16.19527 453.1195 16.29248 453.6016 16.61804 454.0837 17.13925 454.5658 17.14647 455.0479 16.48677 455.5301 15.64297 456.0122 15.26839 456.4943 15.32091 456.9764 15.55586 457.4585 16.09021 457.9406 16.63091 458.4228 16.55464 458.9049 15.92433 459.3870 15.38904 459.8691 15.53416 460.3512 16.00113 460.8333 16.38431 461.3155 16.66763 461.7976 16.69392 462.2797 16.13712 462.7618 15.28220 463.2439 14.63136 463.7260 14.57375 464.2082 14.57921 464.6903 14.37173 465.1724 13.94281 465.6545 13.64284 466.1366 13.73114 466.6187 13.85196 467.1009 13.76974 467.5830 13.33244 468.0651 12.86362 468.5472 12.29018 469.0293 11.70737 469.5114 11.32138 469.9936 11.19441 470.4757 11.15584 470.9578 11.14052 471.4399 11.14096 471.9220 11.37697 472.4041 11.96071 472.8863 12.37379 473.3684 12.01822 473.8505 10.89806 474.3326 9.770752 474.8147 8.741486 475.2968 7.898071 475.7790 7.414230 476.2611 7.244263 476.7432 7.058624 477.2253 6.638077 477.7074 6.101501 478.1895 5.677078 478.6717 5.370163 479.1538 4.975174 479.6359 4.291290 480.1180 3.471222 480.6001 2.729218 481.0822 2.099838 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