#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:44:51 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1252 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000659.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_1000659 loop_ _publ_author_name 'Armbruster, T.' _publ_section_title ; Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Note: Sample NMBE 34974 ; _journal_name_full 'Schweizerische Mineralogische und Petrographische Mitteilungen' _journal_page_first 279 _journal_page_last 284 _journal_volume 80 _journal_year 2000 _chemical_compound_source '2 Arvigo Val Calanca Grisons Switzerland' _chemical_formula_sum 'Al0.03 Ca2 Fe1.366 H Mg0.344 Mn0.26 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 86.10 _cell_angle_beta 93.92 _cell_angle_gamma 112.08 _cell_length_a 7.480 _cell_length_b 12.159 _cell_length_c 6.678 _cell_volume 560.910 _exptl_crystal_density_diffrn 3.324 _cod_original_cell_volume 560.911 _cod_original_formula_sum 'Ca2 Fe1.366 Mn.26 Mg.344 Al.03 Si5 H O15' _cod_database_code 9014105 _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 R060084.rod _rod_data_source.block 3500000 _rod_database.code 1000659 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 9014105 COD http://www.crystallography.net/cod/9014105.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 120.4653 0.0000000E+00 120.9474 2.6690001E-02 121.4296 0.1867770 121.9117 0.3261070 122.3938 0.3801210 122.8759 0.3636170 123.3580 0.3907780 123.8401 0.4924890 124.3223 0.5428710 124.8044 0.5107860 125.2865 0.4301910 125.7686 0.4402370 126.2507 0.5360390 126.7328 0.5224930 127.2150 0.4575560 127.6971 0.2876220 128.1792 0.1444210 128.6613 0.1134680 129.1434 0.1767230 129.6255 0.2245520 130.1077 0.1569250 130.5898 1.3195000E-02 131.0719 0.1209010 131.5540 0.1523340 132.0361 0.1233670 132.5182 2.8811000E-02 133.0004 0.1478500 133.4825 0.3155820 133.9646 0.3594950 134.4467 0.3326630 134.9288 0.3525870 135.4109 0.4924340 135.8931 0.7217900 136.3752 0.9337860 136.8573 1.099669 137.3394 1.281757 137.8215 1.535089 138.3036 1.837067 138.7858 2.117073 139.2679 2.301773 139.7500 2.374170 140.2321 2.487997 140.7142 2.688486 141.1963 2.895796 141.6785 3.098936 142.1606 3.285078 142.6427 3.431683 143.1248 3.504782 143.6069 3.468178 144.0890 3.433765 144.5712 3.333649 145.0533 3.276814 145.5354 3.371298 146.0175 3.636934 146.4996 3.969242 146.9817 4.176075 147.4639 4.074549 147.9460 4.145521 148.4281 4.527468 148.9102 5.057291 149.3923 5.531357 149.8744 5.869888 150.3566 6.126921 150.8387 6.422905 151.3208 6.746771 151.8029 7.116812 152.2850 7.552488 152.7671 8.043159 153.2493 8.549015 153.7314 9.060244 154.2135 9.576363 154.6956 10.10816 155.1777 10.67619 155.6598 11.20577 156.1420 11.62096 156.6241 11.91630 157.1062 12.18872 157.5883 12.50380 158.0704 12.79560 158.5525 12.99596 159.0347 13.07877 159.5168 13.09211 159.9989 13.08266 160.4810 12.99520 160.9631 13.03162 161.4452 13.38337 161.9274 13.81265 162.4095 14.08319 162.8916 14.07508 163.3737 13.87584 163.8558 13.77384 164.3379 13.87736 164.8201 13.94045 165.3022 13.89604 165.7843 13.79485 166.2664 13.70466 166.7485 13.66644 167.2306 13.67311 167.7128 13.66236 168.1949 13.65860 168.6770 13.61229 169.1591 13.53443 169.6412 13.40555 170.1233 13.18031 170.6055 12.81762 171.0876 12.31836 171.5697 11.87536 172.0518 11.45410 172.5339 11.10528 173.0160 10.92674 173.4982 10.87611 173.9803 10.76166 174.4624 10.43687 174.9445 9.889517 175.4266 9.288162 175.9087 8.581306 176.3909 7.851759 176.8730 7.166368 177.3551 6.527983 177.8372 5.913254 178.3193 5.296209 178.8014 4.688129 179.2836 4.139502 179.7657 3.660545 180.2478 3.245646 180.7299 2.890289 181.2120 2.607107 181.6941 2.352764 182.1763 2.073154 182.6584 1.812380 183.1405 1.635998 183.6226 1.605326 184.1047 1.683157 184.5868 1.746162 185.0690 1.767239 185.5511 1.818725 186.0332 1.945595 186.5153 2.121324 186.9974 2.293741 187.4795 2.411714 187.9617 2.484253 188.4438 2.638951 188.9259 2.980273 189.4080 3.293206 189.8901 3.496018 190.3722 3.622862 190.8544 3.746056 191.3365 3.932307 191.8186 4.193534 192.3007 4.404661 192.7828 4.469807 193.2649 4.557013 193.7471 4.783662 194.2292 5.100359 194.7113 5.350010 195.1934 5.364861 195.6755 5.082672 196.1576 4.968947 196.6398 5.125406 197.1219 5.323485 197.6040 5.445124 198.0861 5.488564 198.5682 5.525703 199.0503 5.628981 199.5325 5.817949 200.0146 6.004183 200.4967 6.195522 200.9788 6.378365 201.4609 6.549498 201.9430 6.706881 202.4252 6.834654 202.9073 6.898865 203.3894 6.889880 203.8715 6.970763 204.3536 7.246131 204.8357 7.559169 205.3179 7.738101 205.8000 7.756174 206.2821 7.762741 206.7642 7.935575 207.2463 8.242820 207.7284 8.473965 208.2106 8.547746 208.6927 8.537558 209.1748 8.524447 209.6569 8.501351 210.1390 8.528141 210.6211 8.707764 211.1033 8.983870 211.5854 9.219089 212.0675 9.367813 212.5496 9.441298 213.0317 9.480682 213.5138 9.526029 213.9960 9.445266 214.4781 9.110249 214.9602 8.602671 215.4423 8.079215 215.9244 7.621861 216.4065 7.212904 216.8886 6.784131 217.3708 6.282778 217.8529 5.846132 218.3350 5.531084 218.8171 5.314198 219.2992 5.150431 219.7813 5.015972 220.2635 4.911266 220.7456 4.845219 221.2277 4.857046 221.7098 4.862701 222.1919 4.827960 222.6740 4.768711 223.1562 4.714964 223.6383 4.690645 224.1204 4.691793 224.6025 4.667744 225.0846 4.569767 225.5667 4.497354 226.0489 4.477495 226.5310 4.499269 227.0131 4.546180 227.4952 4.612822 227.9773 4.694849 228.4594 4.722813 228.9416 4.618059 229.4237 4.538594 229.9058 4.550255 230.3879 4.612622 230.8700 4.651684 231.3521 4.618484 231.8343 4.515142 232.3164 4.376575 232.7985 4.220689 233.2806 4.014838 233.7627 3.717750 234.2448 3.363007 234.7270 3.020262 235.2091 2.738769 235.6912 2.506035 236.1733 2.198753 236.6554 1.707895 237.1375 1.271807 237.6197 1.001810 238.1018 0.8458170 238.5839 0.6704150 239.0660 0.3873840 239.5481 3.2437999E-02 240.0302 0.1934300 240.5124 0.2354970 240.9945 0.2381270 241.4766 0.2345380 241.9587 0.2281750 242.4408 0.2270340 242.9229 0.2371450 243.4051 0.2535740 243.8872 0.2599680 244.3693 0.2541220 244.8514 0.2436210 245.3335 0.2338770 245.8156 0.2224790 246.2978 0.1980010 246.7799 0.1466940 247.2620 8.9725003E-02 247.7441 7.0494004E-02 248.2262 9.2610002E-02 248.7083 0.1374720 249.1905 0.2344710 249.6726 0.3565190 250.1547 0.3963370 250.6368 0.2832240 251.1189 0.1029920 251.6010 9.5469998E-03 252.0832 4.9830999E-02 252.5653 5.8336999E-02 253.0474 5.1534001E-02 253.5295 3.0303000E-02 254.0116 7.5160000E-03 254.4937 8.3797000E-02 254.9759 0.1489130 255.4580 0.1525050 255.9401 9.4742000E-02 256.4222 1.4050000E-03 256.9043 0.1415400 257.3864 0.3178080 257.8686 0.4384000 258.3507 0.4618760 258.8328 0.4532560 259.3149 0.4566720 259.7970 0.4745910 260.2791 0.5291060 260.7613 0.6712570 261.2434 0.8768530 261.7255 1.007437 262.2076 1.024066 262.6897 0.9867320 263.1718 0.8995070 263.6540 0.7879290 264.1361 0.7400070 264.6182 0.8561260 265.1003 1.102533 265.5824 1.283009 266.0645 1.403934 266.5467 1.431311 267.0288 1.301887 267.5109 1.078835 267.9930 0.9020340 268.4751 0.8839940 268.9572 0.9811480 269.4394 0.9865820 269.9215 0.8327810 270.4036 0.6849420 270.8857 0.5975090 271.3678 0.5586620 271.8499 0.5537620 272.3321 0.5839490 272.8142 0.6351250 273.2963 0.6538800 273.7784 0.6082540 274.2605 0.5840100 274.7426 0.6251570 275.2248 0.6913970 275.7069 0.7296410 276.1890 0.7116280 276.6711 0.6652490 277.1532 0.6655550 277.6353 0.7417580 278.1175 0.8120370 278.5996 0.8755110 279.0817 0.9195750 279.5638 0.9310270 280.0459 0.9050220 280.5280 0.8499430 281.0102 0.7780850 281.4923 0.6782680 281.9744 0.5859950 282.4565 0.4979110 282.9386 0.4220640 283.4207 0.3675190 283.9029 0.3357700 284.3850 0.3180650 284.8671 0.3018670 285.3492 0.2865650 285.8313 0.2745410 286.3134 0.2842730 286.7956 0.2832840 287.2777 0.2284450 287.7598 0.1276440 288.2419 4.4863001E-02 288.7240 6.9293000E-02 289.2061 0.2491940 289.6883 0.3575970 290.1704 0.3196210 290.6525 0.2815390 291.1346 0.3086990 291.6167 0.4011010 292.0988 0.5262580 292.5810 0.6611810 293.0631 0.8106700 293.5452 0.9148960 294.0273 0.8613030 294.5094 0.8741140 294.9915 1.090144 295.4737 1.436637 295.9558 1.743803 296.4379 1.881316 296.9200 1.863129 297.4021 1.901458 297.8842 2.067106 298.3664 2.207513 298.8485 2.267363 299.3306 2.288112 299.8127 2.331981 300.2948 2.433121 300.7769 2.581930 301.2591 2.741858 301.7412 2.919387 302.2233 3.103148 302.7054 3.278760 303.1875 3.463873 303.6696 3.692530 304.1518 3.977037 304.6339 4.279823 305.1160 4.514297 305.5981 4.563932 306.0802 4.711908 306.5623 5.061415 307.0445 5.438248 307.5266 5.684987 308.0087 5.776200 308.4908 5.825598 308.9729 5.986357 309.4550 6.292616 309.9372 6.612118 310.4193 6.994456 310.9014 7.348316 311.3835 7.599455 311.8656 7.754221 312.3477 7.882073 312.8299 8.061875 313.3120 8.320809 313.7941 8.489222 314.2762 8.489594 314.7583 8.490459 315.2404 8.577487 315.7226 8.723879 316.2047 8.844367 316.6868 8.869440 317.1689 8.808531 317.6510 8.812744 318.1331 8.972065 318.6153 9.096696 319.0974 9.127992 319.5795 9.102021 320.0616 9.089885 320.5437 9.131803 321.0258 9.186049 321.5080 9.110076 321.9901 8.729651 322.4722 8.433074 322.9543 8.272578 323.4364 8.189640 323.9185 8.145884 324.4007 8.123478 324.8828 8.090084 325.3649 7.984221 325.8470 7.739246 326.3291 7.548158 326.8112 7.456551 327.2934 7.376624 327.7755 7.251705 328.2576 7.073101 328.7397 6.861849 329.2218 6.637712 329.7039 6.397297 330.1861 6.157679 330.6682 5.899415 331.1503 5.659546 331.6324 5.465885 332.1145 5.305212 332.5966 5.144951 333.0788 4.960224 333.5609 4.752275 334.0430 4.543852 334.5251 4.316576 335.0072 4.107201 335.4893 3.923641 335.9715 3.762980 336.4536 3.614812 336.9357 3.473728 337.4178 3.353386 337.8999 3.303894 338.3820 3.404576 338.8642 3.459169 339.3463 3.442095 339.8284 3.382435 340.3105 3.288492 340.7926 3.168760 341.2747 3.058078 341.7568 3.010224 342.2390 3.042021 342.7211 3.098425 343.2032 3.187995 343.6853 3.291093 344.1674 3.412615 344.6495 3.542226 345.1317 3.648859 345.6138 3.693419 346.0959 3.669184 346.5780 3.696987 347.0601 3.833986 347.5422 3.970901 348.0244 4.092840 348.5065 4.192436 348.9886 4.259277 349.4707 4.283463 349.9528 4.276026 350.4349 4.282251 350.9171 4.329712 351.3992 4.382353 351.8813 4.474730 352.3634 4.527550 352.8455 4.436350 353.3276 4.162390 353.8098 3.817472 354.2919 3.590661 354.7740 3.527678 355.2561 3.444071 355.7382 3.302732 356.2203 3.148612 356.7025 3.000028 357.1846 2.862391 357.6667 2.740619 358.1488 2.647801 358.6309 2.586401 359.1130 2.502588 359.5952 2.370237 360.0773 2.244314 360.5594 2.136507 361.0415 2.052413 361.5236 2.004457 362.0057 2.010431 362.4879 2.050223 362.9700 2.063997 363.4521 2.050816 363.9342 2.011893 364.4163 1.922654 364.8984 1.821351 365.3806 1.757475 365.8627 1.751955 366.3448 1.745900 366.8269 1.642775 367.3090 1.426035 367.7911 1.263242 368.2733 1.242803 368.7554 1.249576 369.2375 1.194487 369.7196 1.076884 370.2017 0.9605970 370.6838 0.9012100 371.1660 0.8851830 371.6481 0.8479410 372.1302 0.7785600 372.6123 0.6980220 373.0944 0.6110990 373.5765 0.5243300 374.0587 0.4521360 374.5408 0.4025940 375.0229 0.3693350 375.5050 0.3480190 375.9871 0.3407950 376.4692 0.3270020 376.9514 0.2807600 377.4335 0.2304780 377.9156 0.2181250 378.3977 0.2547130 378.8798 0.3099190 379.3619 0.3871440 379.8441 0.4718680 380.3262 0.4893580 380.8083 0.3898760 381.2904 0.2654800 381.7725 0.2252300 382.2546 0.2634750 382.7368 0.3467570 383.2189 0.5023330 383.7010 0.6818310 384.1831 0.8280460 384.6652 0.9374510 385.1473 1.001004 385.6295 0.9867330 386.1116 0.9021110 386.5937 0.8424250 387.0758 0.8009450 387.5579 0.7885840 388.0400 0.8508780 388.5222 0.9611890 389.0043 1.020926 389.4864 0.9695220 389.9685 0.8574370 390.4506 0.8276860 390.9327 0.9263010 391.4149 1.008246 391.8970 1.058156 392.3791 1.078472 392.8612 1.041801 393.3433 0.9432070 393.8254 0.8410970 394.3076 0.8102540 394.7897 0.8760610 395.2718 0.9181050 395.7539 0.9169590 396.2360 0.9138170 396.7181 0.9436700 397.2003 0.9930350 397.6824 1.023332 398.1645 1.011048 398.6466 0.9561130 399.1287 0.8599830 399.6108 0.6127730 400.0930 0.4509730 400.5751 0.4864820 401.0572 0.5869670 401.5393 0.5993930 402.0214 0.4817260 402.5035 0.3178050 402.9857 0.2366450 403.4678 0.2851780 403.9499 0.2812430 404.4320 0.1643310 404.9141 5.7319999E-02 405.3962 3.0778000E-02 405.8784 6.9577001E-02 406.3605 0.1223530 406.8426 0.1625900 407.3247 0.1795740 407.8068 8.1593998E-02 408.2889 0.2743370 408.7711 0.5357800 409.2532 0.6299840 409.7353 0.5984300 410.2174 0.4521660 410.6995 0.1946040 411.1816 7.5107999E-02 411.6638 0.1908630 412.1459 0.1124910 412.6280 9.6681997E-02 413.1101 0.2182220 413.5922 0.3796050 414.0743 0.5385780 414.5565 0.6911980 415.0386 0.8422090 415.5207 1.008425 416.0028 1.175637 416.4849 1.279906 416.9670 1.289559 417.4492 1.315735 417.9313 1.455694 418.4134 1.634526 418.8955 1.751338 419.3776 1.765059 419.8597 1.751862 420.3419 1.772901 420.8240 1.828169 421.3061 1.927303 421.7882 2.104856 422.2703 2.283393 422.7524 2.346765 423.2346 2.299030 423.7167 2.295150 424.1988 2.451760 424.6809 2.656443 425.1630 2.738867 425.6451 2.681939 426.1273 2.622023 426.6094 2.665866 427.0915 2.791759 427.5736 2.865209 428.0557 2.851598 428.5378 2.824614 429.0200 2.803485 429.5021 2.793283 429.9842 2.818037 430.4663 2.891497 430.9484 2.964741 431.4305 2.958959 431.9127 2.855802 432.3948 2.699718 432.8769 2.429178 433.3590 2.153833 433.8411 1.956951 434.3232 1.834902 434.8054 1.733744 435.2875 1.616960 435.7696 1.483478 436.2517 1.317790 436.7338 1.071974 437.2159 0.8487620 437.6981 0.6480520 438.1802 0.4844330 438.6623 0.3827070 439.1444 0.3482410 439.6265 0.3446880 440.1086 0.3202660 440.5908 0.2726850 441.0729 0.2115630 441.5550 0.1438830 442.0371 5.5319000E-02 442.5192 0.1088870 443.0013 0.3018770 443.4835 0.4042080 443.9656 0.3116520 444.4477 9.9601001E-02 444.9298 2.1457000E-02 445.4119 0.1394780 445.8940 0.2318100 446.3762 0.2277980 446.8583 0.1655650 447.3404 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