#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:16:45 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1054 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000502.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_1000502 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 '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 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 R060083.rod _rod_data_source.block 3500000 _rod_database.code 1000502 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 110.6202 0.0000000E+00 111.1023 1.7190001E-03 111.5844 4.7274001E-02 112.0665 0.2184440 112.5486 0.5601640 113.0308 0.9172600 113.5129 1.283453 113.9950 1.594557 114.4771 1.791076 114.9592 1.917020 115.4413 2.048233 115.9235 2.117833 116.4056 2.248425 116.8877 2.508219 117.3698 2.978497 117.8519 3.420530 118.3340 3.774761 118.8162 4.039616 119.2983 4.212605 119.7804 4.120474 120.2625 4.030128 120.7446 4.133492 121.2267 4.426226 121.7089 4.986063 122.1910 5.920933 122.6731 7.190823 123.1552 8.611488 123.6373 10.03101 124.1194 11.53841 124.6016 13.27985 125.0837 15.33983 125.5658 17.58568 126.0479 20.13066 126.5300 22.94236 127.0121 25.29765 127.4943 26.87992 127.9764 27.55824 128.4585 27.06488 128.9406 24.68074 129.4227 21.21072 129.9048 17.97203 130.3869 14.93757 130.8691 12.27442 131.3512 10.24111 131.8333 8.709393 132.3154 7.339968 132.7975 6.118105 133.2796 5.087479 133.7618 4.372316 134.2439 3.987606 134.7260 3.831791 135.2081 3.742970 135.6902 3.714113 136.1723 3.851898 136.6545 4.235806 137.1366 4.861900 137.6187 5.560944 138.1008 6.309347 138.5829 7.142620 139.0650 8.222616 139.5472 9.628286 140.0293 11.00212 140.5114 12.05733 140.9935 12.66470 141.4756 13.61935 141.9577 15.09913 142.4399 16.98498 142.9220 18.78495 143.4041 20.80120 143.8862 22.27485 144.3683 22.66770 144.8504 21.79542 145.3326 20.25555 145.8147 17.93927 146.2968 14.92962 146.7789 12.41600 147.2610 10.18158 147.7431 8.397636 148.2253 7.244585 148.7074 6.851326 149.1895 6.612726 149.6716 6.517700 150.1537 6.598257 150.6358 6.754421 151.1180 7.060665 151.6001 7.423288 152.0822 7.739534 152.5643 8.141823 153.0464 8.370157 153.5285 8.341732 154.0107 8.000895 154.4928 7.636562 154.9749 7.277231 155.4570 6.900396 155.9391 6.476904 156.4212 5.819592 156.9034 5.264557 157.3855 4.951736 157.8676 4.965633 158.3497 5.014109 158.8318 5.089243 159.3139 5.161060 159.7961 5.178970 160.2782 5.145641 160.7603 5.045540 161.2424 4.867666 161.7245 4.597322 162.2066 4.280754 162.6888 3.879755 163.1709 3.440674 163.6530 3.066278 164.1351 2.788452 164.6172 2.591393 165.0993 2.472855 165.5815 2.465210 166.0636 2.475668 166.5457 2.411905 167.0278 2.317476 167.5099 2.328951 167.9921 2.541887 168.4742 2.858051 168.9563 3.233213 169.4384 3.675894 169.9205 4.146524 170.4026 4.669842 170.8848 5.219694 171.3669 5.673502 171.8490 5.989990 172.3311 6.160458 172.8132 6.166512 173.2953 5.936380 173.7775 5.609646 174.2596 5.288980 174.7417 4.974945 175.2238 4.679808 175.7059 4.397629 176.1880 4.144211 176.6702 3.953226 177.1523 3.912884 177.6344 3.884068 178.1165 3.707922 178.5986 3.385031 179.0807 2.952507 179.5629 2.372110 180.0450 1.696215 180.5271 1.056602 181.0092 0.4811950 181.4913 3.0947000E-02 181.9734 0.4860360 182.4556 0.8856200 182.9377 1.193800 183.4198 1.337633 183.9019 1.353277 184.3840 1.367950 184.8661 1.492846 185.3483 1.639811 185.8304 1.573412 186.3125 1.277159 186.7946 0.9067170 187.2767 0.6147310 187.7588 0.3914110 188.2409 0.1990890 188.7231 6.6496000E-02 189.2052 4.3965999E-02 189.6873 0.2869800 190.1694 0.6809480 190.6515 1.135607 191.1336 1.577948 191.6158 2.004198 192.0979 2.336187 192.5800 2.497149 193.0621 2.509403 193.5442 2.579542 194.0263 2.743433 194.5085 2.876997 194.9906 2.782923 195.4727 2.459539 195.9548 2.058954 196.4369 1.604004 196.9190 1.103304 197.4012 0.7088890 197.8833 0.4289890 198.3654 0.2361530 198.8475 0.1017110 199.3296 2.5818000E-02 199.8117 5.9910002E-03 200.2939 4.7189998E-03 200.7760 5.7766002E-02 201.2581 0.1359920 201.7402 0.2413750 202.2223 0.3678740 202.7044 0.5259340 203.1866 0.7292650 203.6687 0.8803230 204.1508 0.9137880 204.6329 0.8158650 205.1150 0.7473220 205.5971 0.7087540 206.0793 0.7014690 206.5614 0.7330440 207.0435 0.8085540 207.5256 0.9034880 208.0077 1.013348 208.4898 1.143013 208.9720 1.242321 209.4541 1.271349 209.9362 1.305933 210.4183 1.527441 210.9004 1.987585 211.3825 2.477919 211.8647 2.909428 212.3468 3.268328 212.8289 3.629223 213.3110 3.993221 213.7931 4.360559 214.2752 4.736626 214.7574 5.151182 215.2395 5.511105 215.7216 5.804811 216.2037 6.071917 216.6858 6.100277 217.1679 5.818232 217.6501 5.336838 218.1322 4.924870 218.6143 4.619349 219.0964 4.298536 219.5785 3.887571 220.0606 3.301233 220.5428 2.883602 221.0249 2.672323 221.5070 2.615463 221.9891 2.612789 222.4712 2.712252 222.9533 2.776545 223.4355 2.722713 223.9176 2.467083 224.3997 2.329550 224.8818 2.314709 225.3639 2.414074 225.8460 2.623394 226.3282 2.989334 226.8103 3.383394 227.2924 3.724815 227.7745 3.943243 228.2566 4.319248 228.7387 4.888340 229.2209 5.601223 229.7030 6.314978 230.1851 6.969179 230.6672 7.737183 231.1493 8.720592 231.6314 10.04224 232.1136 11.25181 232.5957 12.34468 233.0778 13.33140 233.5599 14.22509 234.0420 15.09745 234.5241 15.76104 235.0063 16.13690 235.4884 16.20088 235.9705 16.03414 236.4526 15.60529 236.9347 14.95654 237.4168 14.14736 237.8990 13.06257 238.3811 12.00356 238.8632 11.10997 239.3453 10.46166 239.8274 9.692348 240.3095 8.744064 240.7917 7.703751 241.2738 6.749063 241.7559 5.917259 242.2380 5.132158 242.7201 4.345659 243.2022 3.492199 243.6844 2.881784 244.1665 2.623453 244.6486 2.539728 245.1307 2.325052 245.6128 1.911369 246.0949 1.489454 246.5771 1.092817 247.0592 0.6962780 247.5413 0.4004420 248.0234 0.2411990 248.5055 0.1625250 248.9876 7.5438999E-02 249.4697 5.3863999E-02 249.9519 0.1277960 250.4340 0.1017590 250.9161 5.1587999E-02 251.3982 0.1556890 251.8803 0.1680110 252.3624 0.1652450 252.8446 0.2546390 253.3267 0.4669610 253.8088 0.7120420 254.2909 0.9682620 254.7730 1.236372 255.2551 1.523386 255.7373 1.835674 256.2194 2.154217 256.7015 2.441818 257.1836 2.656937 257.6657 2.941101 258.1479 3.327639 258.6300 3.814928 259.1121 4.401747 259.5942 5.104420 260.0763 5.888622 260.5584 6.732693 261.0406 7.600103 261.5227 8.595650 262.0048 9.796831 262.4869 11.18707 262.9690 12.42108 263.4511 13.38508 263.9333 14.34705 264.4154 15.58099 264.8975 17.20116 265.3796 18.78911 265.8617 20.32072 266.3438 21.77278 266.8260 23.03668 267.3081 24.09931 267.7902 24.98390 268.2723 25.74914 268.7544 26.51240 269.2365 26.74341 269.7187 26.29268 270.2008 25.23997 270.6829 24.00592 271.1650 22.53443 271.6471 21.01701 272.1292 19.60800 272.6114 18.30079 273.0935 17.11013 273.5756 16.03307 274.0577 15.08695 274.5398 14.32177 275.0219 13.75420 275.5041 13.32912 275.9862 13.00083 276.4683 12.75994 276.9504 12.70196 277.4325 12.85754 277.9146 13.18094 278.3968 13.56642 278.8788 14.01264 279.3610 14.51984 279.8431 15.10822 280.3252 15.77693 280.8073 16.42287 281.2894 17.04366 281.7715 17.63663 282.2537 18.22596 282.7358 18.82443 283.2179 19.30086 283.7000 19.60205 284.1821 19.72825 284.6642 19.66721 285.1464 19.40585 285.6285 18.99009 286.1106 18.50823 286.5927 17.95999 287.0748 17.23667 287.5569 16.19921 288.0391 14.90066 288.5212 13.76553 289.0033 12.81587 289.4854 11.90600 289.9675 10.82829 290.4496 9.595104 290.9318 8.410465 291.4139 7.338081 291.8960 6.360130 292.3781 5.424950 292.8602 4.519299 293.3423 3.711617 293.8245 3.097033 294.3066 2.644526 294.7887 2.208469 295.2708 1.757322 295.7529 1.290878 296.2350 0.7709940 296.7172 0.2012350 297.1993 0.2875290 297.6814 0.5557350 298.1635 0.6570990 298.6456 0.7363830 299.1277 0.8205700 299.6099 0.9119950 300.0920 1.048521 300.5741 1.216715 301.0562 1.307158 301.5383 1.171865 302.0204 0.9160920 302.5026 0.7539440 302.9847 0.7625640 303.4668 0.7945310 303.9489 0.6604770 304.4310 0.3993300 304.9131 0.1456320 305.3953 7.7629000E-02 305.8774 3.3634000E-02 306.3595 0.2361910 306.8416 0.8115410 307.3237 1.415033 307.8058 1.760618 308.2880 1.952030 308.7701 2.216373 309.2522 2.742664 309.7343 3.338367 310.2164 3.801460 310.6985 4.105280 311.1807 4.451113 311.6628 5.031763 312.1449 5.737524 312.6270 6.383104 313.1091 6.825895 313.5912 7.243376 314.0734 7.759594 314.5555 8.376593 315.0376 9.005432 315.5197 9.632973 316.0018 10.24041 316.4839 10.79224 316.9661 11.29311 317.4482 11.72869 317.9303 12.06929 318.4124 12.32524 318.8945 12.57426 319.3766 12.83514 319.8588 13.10355 320.3409 13.37453 320.8230 13.66556 321.3051 13.93699 321.7872 14.22066 322.2693 14.48388 322.7515 14.62690 323.2336 14.50541 323.7157 14.34902 324.1978 14.26518 324.6799 14.28117 325.1620 14.34378 325.6442 14.48692 326.1263 14.66731 326.6084 14.80812 327.0905 14.79136 327.5726 14.83519 328.0547 15.00720 328.5369 15.32807 329.0190 15.71530 329.5011 16.21601 329.9832 16.75876 330.4653 17.25899 330.9474 17.62793 331.4296 18.06565 331.9117 18.62673 332.3938 19.31522 332.8759 19.99774 333.3580 20.65090 333.8401 21.32934 334.3223 22.07165 334.8044 22.90879 335.2865 23.76472 335.7686 24.65099 336.2507 25.55311 336.7328 26.34783 337.2150 27.03438 337.6971 27.62477 338.1792 28.14937 338.6613 28.63283 339.1434 28.93704 339.6255 29.06825 340.1077 29.00310 340.5898 28.67678 341.0719 28.08214 341.5540 27.28621 342.0361 26.31569 342.5182 25.16586 343.0004 23.86035 343.4825 22.37467 343.9646 20.81983 344.4467 19.33016 344.9288 17.92342 345.4109 16.66621 345.8931 15.67704 346.3752 14.86252 346.8573 13.81888 347.3394 12.50340 347.8215 11.23747 348.3036 10.37750 348.7858 9.856123 349.2679 9.339245 349.7500 8.698669 350.2321 8.060972 350.7142 7.704012 351.1964 7.607626 351.6785 7.564995 352.1606 7.387026 352.6427 7.164942 353.1248 7.090389 353.6069 7.225231 354.0891 7.423021 354.5712 7.542770 355.0533 7.588381 355.5354 7.598110 356.0175 7.591812 356.4996 7.574116 356.9818 7.546310 357.4639 7.507519 357.9460 7.462505 358.4281 7.404613 358.9102 7.348291 359.3923 7.321661 359.8745 7.333143 360.3566 7.392052 360.8387 7.479195 361.3208 7.590689 361.8029 7.770565 362.2850 8.083605 362.7672 8.444408 363.2493 8.782131 363.7314 9.050758 364.2135 9.353525 364.6956 9.776451 365.1777 10.25141 365.6599 10.59371 366.1420 10.66951 366.6241 10.68268 367.1062 10.72022 367.5883 10.78165 368.0704 10.89016 368.5526 11.01197 369.0347 11.18970 369.5168 11.49033 369.9989 12.00819 370.4810 12.55463 370.9631 13.10611 371.4453 13.66873 371.9274 14.17835 372.4095 14.53323 372.8916 14.91474 373.3737 15.49638 373.8558 16.40284 374.3380 17.26314 374.8201 18.03116 375.3022 18.72090 375.7843 19.40164 376.2664 20.11481 376.7485 20.74622 377.2307 21.22798 377.7128 21.55525 378.1949 21.77495 378.6770 21.86467 379.1591 21.88077 379.6412 21.90338 380.1234 21.92594 380.6055 22.02328 381.0876 22.28086 381.5697 22.66121 382.0518 22.86647 382.5339 22.86036 383.0161 22.87765 383.4982 23.23222 383.9803 23.86445 384.4624 24.44408 384.9445 24.88415 385.4266 25.21006 385.9088 25.49176 386.3909 25.72103 386.8730 25.83076 387.3551 25.80637 387.8372 25.62381 388.3193 25.23369 388.8015 24.61110 389.2836 23.82274 389.7657 22.88012 390.2478 21.80902 390.7299 20.69918 391.2120 19.46090 391.6942 18.28332 392.1763 17.35744 392.6584 16.72008 393.1405 16.17033 393.6226 15.61320 394.1047 15.07162 394.5869 14.58570 395.0690 14.16559 395.5511 13.80853 396.0332 13.53772 396.5153 13.32902 396.9974 13.09563 397.4796 12.75722 397.9617 12.44419 398.4438 12.22252 398.9259 12.09921 399.4080 12.06784 399.8901 12.16184 400.3723 12.34441 400.8544 12.54950 401.3365 12.87979 401.8186 13.11351 402.3007 13.18448 402.7828 13.07875 403.2649 12.93437 403.7470 12.76391 404.2292 12.53952 404.7113 12.24534 405.1934 11.89077 405.6755 11.42700 406.1576 10.83396 406.6397 10.13468 407.1219 9.420729 407.6040 8.698091 408.0861 7.936227 408.5682 7.067106 409.0503 6.109037 409.5324 5.289946 410.0146 4.639674 410.4967 4.071653 410.9788 3.444072 411.4609 2.774973 411.9430 2.181815 412.4251 1.721867 412.9073 1.368237 413.3894 1.033965 413.8715 0.7187050 414.3536 0.4633630 414.8357 0.3188350 415.3178 0.2507790 415.8000 0.2047110 416.2821 0.1851640 416.7642 0.1479240 417.2463 1.9455999E-02 417.7284 0.1655050 418.2105 0.3091930 418.6927 0.3604150 419.1748 0.3540160 419.6569 0.2938410 420.1390 0.1701920 420.6211 8.8950999E-02 421.1032 0.1642010 421.5854 0.2816480 422.0675 0.3178710 422.5496 0.1808730 423.0317 2.0594001E-02 423.5138 0.1118430 423.9959 0.2252040 424.4781 0.3847360 424.9602 0.6443000 425.4423 0.9159410 425.9244 1.153509 426.4065 1.297030 426.8886 1.514836 427.3708 1.825763 427.8529 2.204400 428.3350 2.611007 428.8171 3.030322 429.2992 3.510435 429.7813 4.102734 430.2635 4.797798 430.7456 5.324218 431.2277 5.615326 431.7098 5.876129 432.1919 6.306562 432.6740 6.928872 433.1562 7.440164 433.6383 7.795002 434.1204 8.033256 434.6025 8.241597 435.0846 8.418718 435.5667 8.506329 436.0489 8.510362 436.5310 8.401035 437.0131 8.062442 437.4952 7.483282 437.9773 6.801231 438.4594 6.102592 438.9416 5.402533 439.4237 4.732653 439.9058 4.100132 440.3879 3.504477 440.8700 2.940501 441.3521 2.406503 441.8343 1.896512 442.3164 1.369847 442.7985 0.8895080 443.2806 0.5116310 443.7627 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