#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:22:47 +0300 (Thu, 24 May 2018) $ #$Revision: 692 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100018.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_8100018 loop_ _publ_author_name 'Araki, T.' 'Zoltai, T.' _publ_section_title ; Crystal structure of babingtonite Locality: Yakuki mine, Japan ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 355 _journal_page_last 373 _journal_volume 135 _journal_year 1972 _chemical_compound_source R060093 _chemical_formula_sum 'Ca2 Fe1.856 O15 Si5' _chemical_name_mineral Babingtonite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 91.433 _cell_angle_beta 93.886 _cell_angle_gamma 104.255 _cell_length_a 7.509 _cell_length_b 11.697 _cell_length_c 6.719 _cell_volume 570.132 _exptl_crystal_density_diffrn 3.287 _cod_original_formula_sum 'Ca2 Fe1.856 Si5 O15' _cod_database_code 9008208 _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 R060093.rod _rod_data_source.block 3500000 _rod_database.code 8100018 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 9008208 COD http://www.crystallography.net/cod/9008208.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 119.7804 0.0000000E+00 120.2625 6.0210999E-02 120.7446 1.8494001E-02 121.2267 0.6907540 121.7089 1.450600 122.1910 2.448971 122.6731 3.948536 123.1552 5.139320 123.6373 7.573662 124.1194 9.748348 124.6016 11.58384 125.0837 13.12340 125.5658 14.15812 126.0479 14.40856 126.5300 13.91112 127.0121 13.32812 127.4943 12.06287 127.9764 10.06705 128.4585 8.207157 128.9406 6.620098 129.4227 5.274605 129.9048 4.168335 130.3869 3.305569 130.8691 2.656071 131.3512 2.252472 131.8333 1.936058 132.3154 1.458309 132.7975 0.8512610 133.2796 0.2203140 133.7618 0.1969300 134.2439 0.4053570 134.7260 0.4011040 135.2081 0.1098250 135.6902 0.4757000 136.1723 1.142521 136.6545 1.818737 137.1366 2.392628 137.6187 3.082397 138.1008 4.157177 138.5829 5.609375 139.0650 7.344196 139.5472 9.455711 140.0293 11.52328 140.5114 13.18378 140.9935 14.25155 141.4756 15.89064 141.9577 18.44332 142.4399 21.65289 142.9220 24.38483 143.4041 26.99983 143.8862 28.61680 144.3683 28.55882 144.8504 26.42902 145.3326 23.52236 145.8147 19.72480 146.2968 15.06697 146.7789 11.24186 147.2610 8.385609 147.7431 6.185116 148.2253 4.347710 148.7074 2.913826 149.1895 1.795837 149.6716 1.038960 150.1537 0.6643100 150.6358 0.3982010 151.1180 0.3498690 151.6001 0.3612560 152.0822 0.2697180 152.5643 7.9350002E-02 153.0464 0.3753620 153.5285 0.5959550 154.0107 0.7837030 154.4928 0.7185550 154.9749 0.2675510 155.4570 0.4035990 155.9391 1.082897 156.4212 1.662193 156.9034 2.322842 157.3855 3.140163 157.8676 4.152386 158.3497 5.197361 158.8318 6.255280 159.3139 7.332878 159.7961 8.448349 160.2782 9.656799 160.7603 10.86855 161.2424 12.04345 161.7245 13.17386 162.2066 14.27455 162.6888 15.38545 163.1709 16.47261 163.6530 17.46009 164.1351 18.20603 164.6172 18.91088 165.0993 19.69177 165.5815 20.53822 166.0636 21.52066 166.5457 22.63377 167.0278 23.90383 167.5099 25.41493 167.9921 27.28028 168.4742 29.36873 168.9563 31.56225 169.4384 33.81989 169.9205 36.20211 170.4026 38.78099 170.8848 41.53873 171.3669 44.35729 171.8490 47.13672 172.3311 49.94780 172.8132 52.88042 173.2953 56.02901 173.7775 59.25536 174.2596 62.72785 174.7417 66.35998 175.2238 69.38427 175.7059 71.42280 176.1880 72.44849 176.6702 72.38484 177.1523 71.15676 177.6344 68.86594 178.1165 65.45532 178.5986 60.92182 179.0807 55.81332 179.5629 50.10405 180.0450 44.07065 180.5271 38.45850 181.0092 33.43824 181.4913 28.95616 181.9734 25.00493 182.4556 21.58509 182.9377 18.63486 183.4198 16.09894 183.9019 13.98880 184.3840 12.30222 184.8661 11.08350 185.3483 10.25608 185.8304 9.629131 186.3125 9.203808 186.7946 8.952908 187.2767 8.874680 187.7588 8.961380 188.2409 9.166897 188.7231 9.447121 189.2052 9.812138 189.6873 10.32792 190.1694 11.00282 190.6515 11.78949 191.1336 12.70502 191.6158 13.72236 192.0979 14.63595 192.5800 15.42936 193.0621 16.08385 193.5442 16.42910 194.0263 16.46400 194.5085 16.24624 194.9906 15.76456 195.4727 15.01392 195.9548 14.27872 196.4369 13.63118 196.9190 13.07861 197.4012 12.75602 197.8833 12.66520 198.3654 12.79712 198.8475 13.18625 199.3296 13.85111 199.8117 14.57541 200.2939 15.22836 200.7760 15.80288 201.2581 16.57162 201.7402 17.55608 202.2223 18.69616 202.7044 19.94273 203.1866 21.31693 203.6687 22.61737 204.1508 23.66937 204.6329 24.42664 205.1150 25.49284 205.5971 26.96371 206.0793 28.63630 206.5614 30.05997 207.0435 31.11060 207.5256 32.34489 208.0077 34.00595 208.4898 36.11871 208.9720 38.52095 209.4541 41.28005 209.9362 44.26255 210.4183 47.22003 210.9004 50.14949 211.3825 52.97407 211.8647 55.77889 212.3468 58.71996 212.8289 61.11264 213.3110 63.16295 213.7931 64.48042 214.2752 64.15462 214.7574 61.91612 215.2395 58.68818 215.7216 54.68368 216.2037 49.69850 216.6858 44.81160 217.1679 39.92723 217.6501 35.18631 218.1322 30.98201 218.6143 27.29104 219.0964 24.09615 219.5785 21.48000 220.0606 19.48933 220.5428 17.83339 221.0249 16.61790 221.5070 15.69114 221.9891 14.72106 222.4712 13.63843 222.9533 12.62099 223.4355 11.73972 223.9176 10.92556 224.3997 10.40838 224.8818 10.21862 225.3639 10.30703 225.8460 10.50595 226.3282 10.58496 226.8103 11.17403 227.2924 12.75852 227.7745 16.24152 228.2566 18.24972 228.7387 18.11366 229.2209 16.78643 229.7030 16.49714 230.1851 17.64827 230.6672 19.18450 231.1493 20.74532 231.6314 22.45360 232.1136 23.89001 232.5957 25.20847 233.0778 26.19448 233.5599 26.32048 234.0420 25.35275 234.5241 23.90633 235.0063 22.17961 235.4884 20.13154 235.9705 17.96794 236.4526 15.54264 236.9347 13.04150 237.4168 10.84013 237.8990 9.016594 238.3811 7.356777 238.8632 5.797752 239.3453 4.315521 239.8274 3.001194 240.3095 1.826828 240.7917 0.8204730 241.2738 5.2189000E-02 241.7559 0.3937070 242.2380 0.7318610 242.7201 1.030907 243.2022 1.300003 243.6844 1.494022 244.1665 1.577267 244.6486 1.607265 245.1307 1.696579 245.6128 1.927822 246.0949 2.079483 246.5771 2.071819 247.0592 1.871803 247.5413 1.637001 248.0234 1.341007 248.5055 1.029991 248.9876 0.7964440 249.4697 0.7185780 249.9519 0.5694500 250.4340 0.2430380 250.9161 0.3275260 251.3982 0.6866950 251.8803 0.6055150 252.3624 0.4975430 252.8446 1.011459 253.3267 2.581890 253.8088 3.913784 254.2909 4.578953 254.7730 4.468369 255.2551 4.573048 255.7373 4.952888 256.2194 5.486847 256.7015 6.001530 257.1836 6.409641 257.6657 6.999107 258.1479 7.875225 258.6300 9.045521 259.1121 10.21447 259.5942 11.35360 260.0763 12.52411 260.5584 13.82074 261.0406 15.22094 261.5227 16.76983 262.0048 18.50647 262.4869 20.41254 262.9690 22.37629 263.4511 24.44247 263.9333 26.48043 264.4154 28.39371 264.8975 30.25472 265.3796 31.82941 265.8617 33.09222 266.3438 34.03831 266.8260 34.75117 267.3081 35.31123 267.7902 35.48235 268.2723 35.02774 268.7544 33.85804 269.2365 32.36943 269.7187 30.54892 270.2008 28.44493 270.6829 26.36856 271.1650 24.25124 271.6471 22.32569 272.1292 20.84209 272.6114 19.85281 273.0935 18.96497 273.5756 18.09404 274.0577 17.31241 274.5398 16.89227 275.0219 16.89135 275.5041 17.07712 275.9862 17.28797 276.4683 17.50443 276.9504 17.92927 277.4325 18.63772 277.9146 19.51355 278.3968 20.26501 278.8788 20.87241 279.3610 21.44708 279.8431 22.09378 280.3252 22.81715 280.8073 23.33903 281.2894 23.61911 281.7715 23.73416 282.2537 23.88194 282.7358 24.09063 283.2179 24.06327 283.7000 23.62263 284.1821 22.77639 284.6642 21.76643 285.1464 20.57951 285.6285 19.26353 286.1106 17.89657 286.5927 16.47769 287.0748 14.94878 287.5569 13.21220 288.0391 11.30435 288.5212 9.519821 289.0033 7.843716 289.4854 6.310413 289.9675 4.957710 290.4496 3.780853 290.9318 2.787182 291.4139 2.027584 291.8960 1.439610 292.3781 0.7992940 292.8602 8.7337002E-02 293.3423 0.5330730 293.8245 0.8939820 294.3066 1.022198 294.7887 1.034832 295.2708 0.9193460 295.7529 0.7401500 296.2350 0.6491700 296.7172 0.6460270 297.1993 0.6283910 297.6814 0.5227390 298.1635 0.3350030 298.6456 9.2730999E-02 299.1277 0.1827700 299.6099 0.4879420 300.0920 0.8074490 300.5741 1.148499 301.0562 1.502968 301.5383 1.853500 302.0204 2.233864 302.5026 2.682232 302.9847 3.197689 303.4668 3.791451 303.9489 4.559101 304.4310 5.456680 304.9131 6.367176 305.3953 7.090202 305.8774 7.821854 306.3595 8.831013 306.8416 10.18872 307.3237 11.63466 307.8058 12.93324 308.2880 14.15384 308.7701 15.43576 309.2522 16.89182 309.7343 18.37406 310.2164 19.81036 310.6985 21.23181 311.1807 22.44004 311.6628 23.19210 312.1449 23.67591 312.6270 24.15311 313.1091 24.76020 313.5912 25.37959 314.0734 25.94035 314.5555 26.43820 315.0376 26.92819 315.5197 27.35406 316.0018 27.82238 316.4839 28.43211 316.9661 29.36002 317.4482 30.30508 317.9303 31.08149 318.4124 31.72536 318.8945 32.50301 319.3766 33.60225 319.8588 34.81950 320.3409 35.99924 320.8230 37.15855 321.3051 38.22386 321.7872 39.08294 322.2693 39.81630 322.7515 40.67060 323.2336 41.86216 323.7157 43.06997 324.1978 44.13263 324.6799 44.92444 325.1620 45.75949 325.6442 46.67616 326.1263 47.66252 326.6084 48.69732 327.0905 49.78953 327.5726 50.92013 328.0547 52.15487 328.5369 53.62545 329.0190 54.73262 329.5011 55.31260 329.9832 55.59286 330.4653 55.83433 330.9474 56.35004 331.4296 56.43957 331.9117 55.89750 332.3938 54.70003 332.8759 53.42669 333.3580 52.09312 333.8401 50.65404 334.3223 49.07312 334.8044 47.24002 335.2865 45.45193 335.7686 43.72341 336.2507 42.06181 336.7328 40.60160 337.2150 39.33451 337.6971 38.25621 338.1792 37.40393 338.6613 36.87915 339.1434 36.19081 339.6255 35.26013 340.1077 34.19156 340.5898 33.18086 341.0719 32.24708 341.5540 31.36779 342.0361 30.55903 342.5182 29.82025 343.0004 29.02120 343.4825 28.08500 343.9646 27.28835 344.4467 27.09891 344.9288 27.52102 345.4109 28.07672 345.8931 28.56116 346.3752 29.04626 346.8573 29.80401 347.3394 30.84597 347.8215 32.11702 348.3036 33.69094 348.7858 35.49325 349.2679 37.18394 349.7500 38.72598 350.2321 40.05593 350.7142 41.03192 351.1964 41.64645 351.6785 41.97100 352.1606 42.16775 352.6427 42.10333 353.1248 41.47253 353.6069 40.13219 354.0891 38.45708 354.5712 36.80974 355.0533 35.14966 355.5354 33.33797 356.0175 31.00862 356.4996 28.66587 356.9818 26.80247 357.4639 25.46892 357.9460 24.46940 358.4281 23.75307 358.9102 23.24489 359.3923 22.86410 359.8745 22.58305 360.3566 22.43722 360.8387 22.45689 361.3208 22.64909 361.8029 22.95229 362.2850 23.43308 362.7672 23.95955 363.2493 24.42186 363.7314 24.74811 364.2135 25.06131 364.6956 25.47649 365.1777 25.92180 365.6599 26.16737 366.1420 25.94937 366.6241 25.67794 367.1062 25.56799 367.5883 25.75656 368.0704 25.84293 368.5526 25.66427 369.0347 25.38495 369.5168 25.25678 369.9989 25.64718 370.4810 25.81413 370.9631 25.51637 371.4453 24.67285 371.9274 23.99898 372.4095 23.63972 372.8916 23.33512 373.3737 22.84061 373.8558 21.99722 374.3380 21.28214 374.8201 20.78056 375.3022 20.45574 375.7843 20.11601 376.2664 19.74500 376.7485 19.38710 377.2307 19.06955 377.7128 18.79422 378.1949 18.52859 378.6770 18.25011 379.1591 18.01476 379.6412 17.95551 380.1234 18.08653 380.6055 18.25589 381.0876 18.39589 381.5697 18.51582 382.0518 18.69104 382.5339 18.92818 383.0161 19.17736 383.4982 19.37137 383.9803 19.52246 384.4624 19.70554 384.9445 20.00562 385.4266 20.28855 385.9088 20.32932 386.3909 20.13209 386.8730 19.75977 387.3551 19.17130 387.8372 18.45194 388.3193 17.75168 388.8015 17.11020 389.2836 16.44847 389.7657 15.65166 390.2478 14.77206 390.7299 13.95140 391.2120 13.23759 391.6942 12.62380 392.1763 12.10550 392.6584 11.68652 393.1405 11.38936 393.6226 11.29066 394.1047 11.29926 394.5869 11.32110 395.0690 11.34982 395.5511 11.37105 396.0332 11.33969 396.5153 11.27074 396.9974 11.27370 397.4796 11.40604 397.9617 11.59604 398.4438 11.82103 398.9259 12.16513 399.4080 12.39574 399.8901 12.47431 400.3723 12.42320 400.8544 12.29555 401.3365 12.11976 401.8186 11.84942 402.3007 11.48252 402.7828 11.02440 403.2649 10.37223 403.7470 9.455765 404.2292 8.409420 404.7113 7.353043 405.1934 6.255051 405.6755 5.213757 406.1576 4.247856 406.6397 3.357841 407.1219 2.568020 407.6040 1.895683 408.0861 1.254654 408.5682 0.5659520 409.0503 0.1560130 409.5324 0.7641600 410.0146 1.244991 410.4967 1.633938 410.9788 1.989714 411.4609 2.303827 411.9430 2.526672 412.4251 2.617882 412.9073 2.610975 413.3894 2.589376 413.8715 2.552170 414.3536 2.467562 414.8357 2.327578 415.3178 2.118536 415.8000 1.803108 416.2821 1.328461 416.7642 0.8266410 417.2463 0.4913640 417.7284 0.2359470 418.2105 0.1604800 418.6927 0.9143220 419.1748 1.786366 419.6569 2.620010 420.1390 3.407021 420.6211 4.141094 421.1032 4.614098 421.5854 5.127949 422.0675 6.006512 422.5496 7.934689 423.0317 9.626244 423.5138 10.49380 423.9959 10.69331 424.4781 11.29112 424.9602 12.73587 425.4423 14.38746 425.9244 15.95119 426.4065 17.29905 426.8886 18.75965 427.3708 20.30806 427.8529 21.99047 428.3350 23.91060 428.8171 26.20744 429.2992 28.48649 429.7813 30.64314 430.2635 32.67224 430.7456 34.73649 431.2277 36.87657 431.7098 38.93428 432.1919 40.80941 432.6740 42.50805 433.1562 43.97540 433.6383 45.25142 434.1204 46.22589 434.6025 46.70555 435.0846 46.69062 435.5667 46.17090 436.0489 45.06782 436.5310 43.44358 437.0131 41.49095 437.4952 39.20365 437.9773 36.64271 438.4594 33.75929 438.9416 30.65306 439.4237 27.51202 439.9058 24.25291 440.3879 21.15563 440.8700 18.44243 441.3521 16.08211 441.8343 13.96539 442.3164 12.06827 442.7985 10.36774 443.2806 8.831470 443.7627 7.458403 444.2448 6.299271 444.7270 5.486397 445.2091 4.873013 445.6912 4.290802 446.1733 3.675880 446.6554 3.108276 447.1375 2.631306 447.6197 2.235363 448.1018 1.834780 448.5839 1.340487 449.0660 0.9132480 449.5481 0.6426320 450.0302 0.6222020 450.5124 0.5609630 450.9945 0.4488810 451.4766 0.3046170 451.9587 0.1467650 452.4408 5.1934998E-02 452.9229 0.1874980 453.4051 0.2221810 453.8872 0.1663130 454.3693 0.1001930 454.8514 1.7302001E-02 455.3335 4.8677001E-02 455.8156 5.3226002E-02 456.2978 5.3519998E-03 456.7799 2.6440001E-03 457.2620 7.5057998E-02 457.7441 0.1508920 458.2262 9.8003000E-02 458.7083 5.5803001E-02 459.1905 0.1861210 459.6726 0.2331200 460.1547 0.2184510 460.6368 0.1567330 461.1189 5.0030001E-02 461.6010 5.8518998E-02 462.0832 0.1049420 462.5653 0.1498620 463.0474 0.2601390 463.5295 0.4528960 464.0116 0.7169280 464.4937 1.086407 464.9759 1.521948 465.4580 1.932083 465.9401 2.212486 466.4222 2.530197 466.9043 2.937357 467.3864 3.430542 467.8686 3.930040 468.3507 4.419462 468.8328 4.928814 469.3149 5.481630 469.7970 6.114534 470.2791 6.750767 470.7613 7.381552 471.2434 8.016787 471.7255 8.687531 472.2076 9.416172 472.6897 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