#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:33:02 +0300 (Thu, 24 May 2018) $ #$Revision: 714 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000220.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_1000220 loop_ _publ_author_name 'Menchetti, S.' 'Sabelli, C.' _publ_section_title ; The halotrichite group: The crystal structure of apjohnite Locality: Terlano, Bolzano, Italy ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 599 _journal_page_last 608 _journal_paper_doi 10.1180/minmag.1976.040.314.07 _journal_volume 40 _journal_year 1976 _chemical_compound_source R060231 _chemical_formula_sum 'Al2 Fe0.02 H44 Mg0.28 Mn0.64 O38 S4 Zn0.06' _chemical_name_mineral Apjohnite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 100.28 _cell_angle_gamma 90 _cell_length_a 6.198 _cell_length_b 24.347 _cell_length_c 21.266 _cell_volume 3157.583 _exptl_crystal_density_diffrn 1.854 _cod_original_formula_sum '(Mn.64 Mg.28 Zn.06 Fe.02) Al2 S4 O38 H44' _cod_database_code 9009454 _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 R060231.rod _rod_data_source.block 3500000 _rod_database.code 1000220 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 9009454 COD http://www.crystallography.net/cod/9009454.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 158.6102 0.0000000E+00 159.0923 5.8550999E-02 159.5744 6.5499998E-04 160.0566 0.2636610 160.5387 0.5989890 161.0208 0.7570910 161.5029 0.9507200 161.9850 1.363172 162.4671 1.550614 162.9493 1.644933 163.4314 1.378882 163.9135 0.1469250 164.3956 7.5671002E-02 164.8777 0.4657530 165.3598 0.4620640 165.8420 1.345122 166.3241 1.362103 166.8062 1.102671 167.2883 1.096878 167.7704 1.695495 168.2525 2.363387 168.7346 2.814175 169.2168 3.056332 169.6989 3.166054 170.1810 2.831096 170.6631 2.490435 171.1452 2.691951 171.6273 4.292512 172.1095 5.965514 172.5916 6.445580 173.0737 5.829697 173.5558 5.204979 174.0379 5.285984 174.5201 5.885285 175.0022 6.710343 175.4843 8.056513 175.9664 9.358466 176.4485 9.859590 176.9306 9.581318 177.4128 9.009613 177.8949 8.320110 178.3770 7.638402 178.8591 7.232166 179.3412 7.528844 179.8233 8.055935 180.3055 7.985561 180.7876 7.288884 181.2697 6.475270 181.7518 6.020511 182.2339 5.858447 182.7160 5.756408 183.1982 5.639752 183.6803 5.518021 184.1624 5.339107 184.6445 5.074812 185.1266 4.993151 185.6087 5.609656 186.0909 6.772232 186.5730 7.679920 187.0551 7.845337 187.5372 7.466660 188.0193 7.139608 188.5014 6.843103 188.9836 6.729914 189.4657 7.088481 189.9478 7.874238 190.4299 8.653216 190.9120 9.402817 191.3941 10.03338 191.8763 9.901462 192.3584 8.814943 192.8405 7.498626 193.3226 6.892884 193.8047 7.003398 194.2868 7.531073 194.7690 8.725863 195.2511 10.47695 195.7332 11.18885 196.2153 10.65878 196.6974 9.490508 197.1795 8.597459 197.6617 7.976381 198.1438 7.622373 198.6259 7.493034 199.1080 7.587614 199.5901 8.219187 200.0722 9.586957 200.5544 11.18503 201.0365 11.98771 201.5186 11.88168 202.0007 11.72533 202.4828 11.97865 202.9649 12.68511 203.4471 13.10116 203.9292 13.08920 204.4113 12.93828 204.8934 13.25584 205.3755 14.10494 205.8576 14.99422 206.3398 15.67326 206.8219 16.08892 207.3040 16.66613 207.7861 17.52122 208.2682 18.42267 208.7503 18.79581 209.2325 18.40385 209.7146 18.19672 210.1967 18.56637 210.6788 19.63457 211.1609 20.61127 211.6430 20.96705 212.1252 20.92807 212.6073 21.56255 213.0894 23.18357 213.5715 24.63794 214.0536 25.10568 214.5357 23.73584 215.0179 22.92235 215.5000 22.93137 215.9821 23.44796 216.4642 23.66961 216.9463 23.62478 217.4284 23.71868 217.9105 24.11535 218.3927 24.90870 218.8748 25.16899 219.3569 24.71882 219.8390 23.91592 220.3211 23.41173 220.8032 23.32407 221.2854 23.19736 221.7675 22.85784 222.2496 22.16252 222.7317 21.79943 223.2138 21.95358 223.6959 22.37874 224.1781 22.62912 224.6602 22.75052 225.1423 22.61942 225.6244 22.11059 226.1065 20.96224 226.5886 20.21239 227.0708 20.05573 227.5529 20.19529 228.0350 19.98631 228.5171 19.19712 228.9992 18.44157 229.4813 17.96745 229.9635 17.88426 230.4456 17.77328 230.9277 17.77153 231.4098 17.68035 231.8919 17.02882 232.3740 15.34759 232.8562 13.88005 233.3383 13.15408 233.8204 13.51003 234.3025 13.48860 234.7846 12.93069 235.2667 12.08510 235.7489 11.43435 236.2310 11.17571 236.7131 10.79317 237.1952 10.02035 237.6773 8.639939 238.1594 7.749356 238.6416 7.607636 239.1237 7.800770 239.6058 7.635885 240.0879 6.831172 240.5700 6.117623 241.0521 5.698445 241.5343 5.584137 242.0164 5.767366 242.4985 6.503766 242.9806 7.356869 243.4627 7.646398 243.9448 7.010190 244.4270 6.420564 244.9091 6.226788 245.3912 6.581658 245.8733 6.407020 246.3554 5.273919 246.8375 3.940315 247.3197 3.499860 247.8018 4.630768 248.2839 5.426759 248.7660 5.323020 249.2481 4.187007 249.7302 3.157121 250.2124 2.057307 250.6945 1.223469 251.1766 1.121246 251.6587 2.246425 252.1408 3.142297 252.6229 3.426088 253.1051 3.052585 253.5872 2.799481 254.0693 2.729954 254.5514 2.707649 255.0335 2.574457 255.5156 2.241839 255.9978 2.004163 256.4799 1.999344 256.9620 2.219541 257.4441 2.050538 257.9262 1.261706 258.4083 0.3751930 258.8904 9.4259001E-02 259.3726 5.7355002E-02 259.8547 8.7930001E-02 260.3368 0.2343920 260.8189 0.8487600 261.3010 0.9070310 261.7831 3.7170000E-02 262.2653 0.8368020 262.7474 0.3700140 263.2295 0.3217230 263.7116 1.283175 264.1937 1.434367 264.6758 0.3872050 265.1580 0.3861980 265.6401 0.7369500 266.1222 1.090974 266.6043 0.3778000 267.0864 1.424068 267.5685 2.040804 268.0507 0.7457890 268.5328 0.5043900 269.0149 0.4623420 269.4970 0.6025630 269.9791 0.1668680 270.4612 0.8192810 270.9434 1.303193 271.4255 1.323007 271.9076 0.6743140 272.3897 0.3004470 272.8718 0.5654730 273.3539 0.1726030 273.8361 0.6475210 274.3182 0.1324190 274.8003 0.3807770 275.2824 1.484141 275.7645 0.8886370 276.2466 0.5858740 276.7288 0.7449700 277.2109 0.9489800 277.6930 0.8432430 278.1751 0.9380820 278.6572 0.2295900 279.1393 0.2977400 279.6215 0.5878300 280.1036 0.8150740 280.5857 1.316046 281.0678 2.136378 281.5499 2.810767 282.0320 3.077093 282.5142 2.977102 282.9963 3.047903 283.4784 3.329376 283.9605 3.663596 284.4426 3.819262 284.9247 3.791369 285.4069 3.823844 285.8890 3.933346 286.3711 4.159790 286.8532 4.792053 287.3353 5.885004 287.8174 7.076948 288.2996 7.866661 288.7817 8.312524 289.2638 9.093119 289.7459 10.61016 290.2280 12.47471 290.7101 13.53026 291.1923 13.73929 291.6744 13.82455 292.1565 14.59012 292.6386 15.84615 293.1207 16.54897 293.6028 16.22353 294.0850 15.52657 294.5671 15.75760 295.0492 16.87184 295.5313 18.17941 296.0134 19.28367 296.4955 20.18773 296.9777 20.85007 297.4598 21.19282 297.9419 21.43144 298.4240 21.90150 298.9061 22.55655 299.3882 23.16513 299.8704 23.63538 300.3525 23.95780 300.8346 24.04839 301.3167 23.83774 301.7988 23.67579 302.2809 23.88391 302.7631 24.44227 303.2452 25.29585 303.7273 26.63034 304.2094 28.15963 304.6915 29.51979 305.1736 30.71069 305.6558 31.66871 306.1379 32.32039 306.6200 32.70233 307.1021 32.88292 307.5842 32.52855 308.0663 32.19687 308.5485 32.51485 309.0306 33.46617 309.5127 34.49308 309.9948 35.52157 310.4769 36.31242 310.9590 36.59533 311.4412 35.51539 311.9233 34.75200 312.4054 35.93601 312.8875 38.68627 313.3696 41.03423 313.8517 41.56619 314.3339 41.19678 314.8160 40.66770 315.2981 40.19360 315.7802 39.56895 316.2623 38.57772 316.7444 37.33507 317.2266 36.16965 317.7087 35.11085 318.1908 34.11613 318.6729 33.10308 319.1550 32.01560 319.6371 31.32803 320.1193 31.56527 320.6014 32.08457 321.0835 31.82079 321.5656 29.71487 322.0477 27.54909 322.5298 26.18538 323.0120 25.79705 323.4941 25.27830 323.9762 23.98629 324.4583 22.66361 324.9404 21.99910 325.4225 22.82799 325.9047 23.51091 326.3868 23.39393 326.8689 22.53452 327.3510 22.06587 327.8331 22.54570 328.3152 23.19391 328.7974 23.50088 329.2795 23.15251 329.7616 22.82679 330.2437 22.52958 330.7258 22.26411 331.2079 22.14425 331.6901 21.98762 332.1722 21.92603 332.6543 22.06187 333.1364 22.97116 333.6185 23.29626 334.1006 22.71382 334.5828 21.52743 335.0649 20.69868 335.5470 20.48828 336.0291 20.21804 336.5112 19.60466 336.9933 18.42926 337.4755 17.82469 337.9576 18.09690 338.4397 18.59486 338.9218 18.35289 339.4039 17.14198 339.8860 16.00028 340.3681 15.16330 340.8503 14.63242 341.3324 14.61531 341.8145 15.31116 342.2966 15.96833 342.7787 15.72853 343.2608 14.53454 343.7430 13.72718 344.2251 13.71187 344.7072 14.15680 345.1893 13.97680 345.6714 13.10885 346.1535 12.34083 346.6357 12.52374 347.1178 13.42372 347.5999 13.46642 348.0820 12.23131 348.5641 10.68025 349.0462 10.53538 349.5284 11.60407 350.0105 12.43836 350.4926 11.96188 350.9747 10.74569 351.4568 10.12642 351.9389 10.20747 352.4211 10.41156 352.9032 10.02390 353.3853 9.293185 353.8674 8.829996 354.3495 9.312855 354.8316 9.915007 355.3138 9.504995 355.7959 8.173265 356.2780 6.853960 356.7601 6.258055 357.2422 6.030962 357.7243 5.692916 358.2065 4.975029 358.6886 4.335855 359.1707 4.181040 359.6528 4.379996 360.1349 4.539720 360.6170 4.537744 361.0992 4.377520 361.5813 3.980862 362.0634 3.203972 362.5455 2.638310 363.0276 2.662755 363.5097 3.014399 363.9919 3.302433 364.4740 3.567448 364.9561 3.603389 365.4382 3.301890 365.9203 2.640705 366.4024 1.835257 366.8846 0.4217410 367.3667 0.5227240 367.8488 9.6600000E-03 368.3309 0.1774060 368.8130 0.7185210 369.2951 1.048075 369.7773 0.8368880 370.2594 0.2836630 370.7415 0.1937450 371.2236 1.069898 371.7057 1.223928 372.1878 0.6470600 372.6700 0.1946740 373.1521 0.6213370 373.6342 0.4737660 374.1163 8.4936000E-02 374.5984 0.7071920 375.0805 0.4235960 375.5627 2.7492000E-02 376.0448 0.2288060 376.5269 0.4706500 377.0090 0.8817160 377.4911 1.119480 377.9732 0.6436560 378.4554 0.7102440 378.9375 0.4577080 379.4196 0.2786840 379.9017 0.6615980 380.3838 0.9807000 380.8659 1.038925 381.3481 0.8552770 381.8302 0.6625030 382.3123 0.4673920 382.7944 0.2850000 383.2765 9.2610002E-02 383.7586 1.4882000E-02 384.2408 0.2445980 384.7229 0.7929910 385.2050 1.157135 385.6871 0.8827690 386.1692 0.3109340 386.6513 0.1882740 387.1335 0.5545750 387.6156 0.8559110 388.0977 0.2737850 388.5798 0.7019300 389.0619 1.148558 389.5440 0.4461060 390.0262 0.6018380 390.5083 1.197587 390.9904 1.467961 391.4725 1.278754 391.9546 0.2235460 392.4367 1.853543 392.9189 2.750012 393.4010 2.434947 393.8831 2.158293 394.3652 2.782143 394.8473 3.805327 395.3294 4.406562 395.8116 3.843327 396.2937 3.209953 396.7758 2.891207 397.2579 2.913519 397.7400 3.280709 398.2221 4.581612 398.7043 5.912423 399.1864 6.532336 399.6685 5.328948 400.1506 4.625960 400.6327 5.044681 401.1148 6.262665 401.5970 6.692876 402.0791 5.393363 402.5612 4.388934 403.0433 4.673276 403.5254 6.881248 404.0075 8.621284 404.4897 9.812712 404.9718 10.61904 405.4539 11.19085 405.9360 11.37027 406.4181 11.84888 406.9002 12.90175 407.3824 14.45909 407.8645 16.02352 408.3466 17.65526 408.8287 19.06028 409.3108 19.70631 409.7929 19.64758 410.2751 20.33634 410.7572 22.22178 411.2393 24.57308 411.7214 25.71705 412.2035 25.81626 412.6856 26.37442 413.1678 28.83326 413.6499 32.27015 414.1320 34.62528 414.6141 35.76796 415.0962 36.50969 415.5783 37.28953 416.0605 38.26553 416.5426 39.76902 417.0247 42.32959 417.5068 45.10902 417.9889 47.47670 418.4710 49.45221 418.9532 51.18022 419.4353 52.45963 419.9174 53.66193 420.3995 55.13327 420.8816 57.17513 421.3637 58.88230 421.8459 59.45906 422.3280 59.56015 422.8101 60.19841 423.2922 62.55285 423.7743 64.57663 424.2564 65.46436 424.7386 65.10304 425.2207 64.72279 425.7028 64.84293 426.1849 64.95314 426.6670 64.64960 427.1491 63.43897 427.6313 62.51228 428.1134 62.13708 428.5955 61.95530 429.0776 61.22432 429.5597 59.60551 430.0418 58.32142 430.5240 58.07064 431.0061 58.90129 431.4882 58.65652 431.9703 57.02590 432.4524 54.90879 432.9345 53.38998 433.4167 52.50628 433.8988 51.77262 434.3809 51.07293 434.8630 50.43224 435.3451 50.06533 435.8272 50.00296 436.3094 49.85136 436.7915 49.10532 437.2736 48.07566 437.7557 47.61221 438.2378 47.82620 438.7199 48.39508 439.2020 49.33240 439.6841 50.38103 440.1663 51.01318 440.6484 50.47318 441.1305 49.82170 441.6126 50.05158 442.0947 51.03020 442.5768 51.94106 443.0590 52.14711 443.5411 52.24074 444.0232 52.68087 444.5053 53.62743 444.9874 54.73946 445.4695 56.25963 445.9517 57.82081 446.4338 58.73125 446.9159 57.96974 447.3980 57.57265 447.8801 58.12083 448.3622 59.62160 448.8444 61.24045 449.3265 63.20147 449.8086 65.21358 450.2907 66.99799 450.7728 68.64957 451.2549 69.82922 451.7371 70.23355 452.2192 70.34370 452.7013 71.33742 453.1834 73.47550 453.6655 75.50567 454.1476 76.88190 454.6298 77.65768 455.1119 78.47379 455.5940 79.39144 456.0761 80.35043 456.5582 81.27819 457.0403 82.24901 457.5225 83.44969 458.0046 84.98586 458.4867 86.57485 458.9688 87.81693 459.4509 88.73440 459.9330 89.37328 460.4152 89.33370 460.8973 89.25364 461.3794 90.08611 461.8615 91.91238 462.3436 93.60748 462.8257 94.34038 463.3079 94.59473 463.7900 94.93641 464.2721 95.98447 464.7542 96.60431 465.2363 96.10816 465.7184 94.81114 466.2006 93.60522 466.6827 92.55516 467.1648 91.77833 467.6469 91.40743 468.1290 91.59099 468.6111 91.63129 469.0933 91.63728 469.5754 91.41376 470.0575 90.71407 470.5396 89.05032 471.0217 87.95216 471.5038 87.90903 471.9860 88.47279 472.4681 88.04188 472.9502 86.39162 473.4323 84.49178 473.9144 82.79271 474.3965 81.27779 474.8787 79.62443 475.3608 77.75382 475.8429 76.11379 476.3250 75.72549 476.8071 76.20904 477.2892 75.55481 477.7714 72.90051 478.2535 69.39260 478.7356 66.56703 479.2177 64.31254 479.6998 62.21387 480.1819 60.26867 480.6641 58.19290 481.1462 55.46765 481.6283 51.97689 482.1104 49.00304 482.5925 47.77797 483.0746 47.25191 483.5568 46.33812 484.0389 44.59339 484.5210 42.58682 485.0031 40.36553 485.4852 37.99747 485.9673 35.61915 486.4495 33.22581 486.9316 30.87563 487.4137 28.61270 487.8958 26.33345 488.3779 24.28016 488.8600 22.43135 489.3422 20.80930 489.8243 19.43373 490.3064 18.37364 490.7885 17.33308 491.2706 16.28354 491.7527 15.22367 492.2349 14.07204 492.7170 12.81091 493.1991 11.70656 493.6812 10.83287 494.1633 10.24220 494.6454 10.23335 495.1276 10.86678 495.6097 11.03873 496.0918 9.138030 496.5739 6.078537 497.0560 3.911196 497.5381 3.308062 498.0203 3.222914 498.5024 2.527935 498.9845 1.583087 499.4666 1.180969 499.9487 2.438284 500.4308 3.692180 500.9130 3.958741 501.3951 3.226994 501.8772 2.336753 502.3593 1.165626 502.8414 9.3755998E-02 503.3235 0.6300380 503.8057 0.4432450 504.2878 0.4398980 504.7699 0.8233650 505.2520 1.334519 505.7341 1.492458 506.2162 1.153663 506.6984 0.7773580 507.1805 0.5914960 507.6626 0.5231500 508.1447 0.2847250 508.6268 0.1817060 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