#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:26:05 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1086 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000526.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_1000526 loop_ _publ_author_name 'Robinson, K.' 'Gibbs, G. V.' 'Ribbe, P. H.' _publ_section_title ; The crystal structures of the humite minerals. IV. Clinohumite and titanclinohumite ; _journal_name_full 'American Mineralogist' _journal_page_first 43 _journal_page_last 49 _journal_volume 58 _journal_year 1973 _chemical_compound_source R050183 _chemical_formula_sum 'Fe0.58 H2 Mg8.42 O18 Si4' _chemical_name_mineral Hydroxylclinohumite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2xab' _symmetry_space_group_name_H-M 'P 21/b 1 1' _cell_angle_alpha 100.786 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.7441 _cell_length_b 10.2501 _cell_length_c 13.6635 _cell_volume 652.684 _exptl_crystal_density_diffrn 3.253 _cod_original_cell_volume 652.683 _cod_original_formula_sum 'Mg8.42 Fe.58 Si4 O18 H2' _cod_database_code 9000292 _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 R050183.rod _rod_data_source.block 3500000 _rod_database.code 1000526 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 9000292 COD http://www.crystallography.net/cod/9000292.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 130.5709 0.0000000E+00 131.0530 0.1977230 131.5351 0.5731510 132.0173 0.7251890 132.4994 0.6335300 132.9815 0.3806460 133.4636 0.2362670 133.9457 0.1820980 134.4278 0.3213960 134.9100 0.7635350 135.3921 1.337677 135.8742 1.899170 136.3563 2.330521 136.8384 2.580948 137.3205 2.377243 137.8027 1.809525 138.2848 1.299210 138.7669 1.699249 139.2490 2.730423 139.7311 3.300293 140.2132 2.792191 140.6953 1.904816 141.1775 1.449112 141.6596 1.717087 142.1417 2.197388 142.6238 2.504669 143.1059 2.683044 143.5880 2.550018 144.0702 1.781479 144.5523 1.171814 145.0344 1.354797 145.5165 2.620743 145.9986 3.957489 146.4807 4.399963 146.9629 3.722229 147.4450 2.896835 147.9271 2.193222 148.4092 1.634003 148.8913 1.171356 149.3734 0.7787780 149.8556 0.4764860 150.3377 0.3476100 150.8198 0.6350250 151.3019 0.8515320 151.7840 0.9963680 152.2661 1.114319 152.7483 1.022461 153.2304 0.8889160 153.7125 0.7143250 154.1946 0.5040440 154.6767 0.1468350 155.1588 0.1297910 155.6410 0.1857150 156.1231 6.5109000E-02 156.6052 6.1523002E-02 157.0873 6.9518998E-02 157.5694 4.1717999E-02 158.0515 0.1395570 158.5337 0.2107390 159.0158 0.2778930 159.4979 0.4288790 159.9800 0.6761320 160.4621 0.7624050 160.9442 0.2180330 161.4264 0.6952970 161.9085 1.156281 162.3906 0.5239720 162.8727 0.5569460 163.3548 0.9737240 163.8369 0.4870910 164.3191 0.2195890 164.8012 0.7583310 165.2833 1.152527 165.7654 1.418869 166.2475 1.541428 166.7296 1.534241 167.2118 1.471130 167.6939 1.231506 168.1760 1.089310 168.6581 1.245880 169.1402 1.608673 169.6223 1.944992 170.1045 2.083755 170.5866 2.023834 171.0687 1.781342 171.5508 1.155273 172.0329 0.5065770 172.5150 0.1987610 172.9971 0.8575290 173.4793 1.219223 173.9614 0.9545290 174.4435 0.1863250 174.9256 1.098419 175.4077 1.691452 175.8898 2.185135 176.3720 2.703308 176.8541 3.262222 177.3362 3.792007 177.8183 4.192688 178.3004 4.408035 178.7825 4.615860 179.2647 4.718781 179.7468 4.870117 180.2289 5.227753 180.7110 5.824356 181.1931 6.532043 181.6752 7.149673 182.1574 7.610428 182.6395 8.182968 183.1216 8.988922 183.6037 9.898346 184.0858 10.74234 184.5679 11.48080 185.0501 12.11703 185.5322 12.72423 186.0143 13.39130 186.4964 13.64636 186.9785 13.24571 187.4606 12.30464 187.9428 11.02725 188.4249 9.279999 188.9070 7.506378 189.3891 6.248291 189.8712 5.509232 190.3533 4.992126 190.8355 4.381409 191.3176 3.744415 191.7997 3.722488 192.2818 4.971085 192.7639 6.483963 193.2460 7.408386 193.7282 7.689789 194.2103 7.746674 194.6924 7.848022 195.1745 7.968002 195.6566 8.405350 196.1387 9.439438 196.6209 10.69780 197.1030 12.04298 197.5851 13.44597 198.0672 14.85201 198.5493 16.22736 199.0314 17.62108 199.5136 18.81485 199.9957 19.71761 200.4778 20.47900 200.9599 21.21307 201.4420 21.94035 201.9241 22.55597 202.4063 22.90044 202.8884 22.96811 203.3705 22.77701 203.8526 22.16216 204.3347 21.42776 204.8168 20.77281 205.2990 20.26720 205.7811 19.87547 206.2632 19.53917 206.7453 19.39267 207.2274 19.08694 207.7095 18.59143 208.1917 17.96764 208.6738 17.26602 209.1559 16.49448 209.6380 15.67499 210.1201 14.86824 210.6022 14.33385 211.0844 13.39230 211.5665 11.68608 212.0486 9.668503 212.5307 7.817673 213.0128 6.292679 213.4949 5.083496 213.9771 4.201675 214.4592 3.770615 214.9413 3.362000 215.4234 2.737015 215.9055 2.119659 216.3876 1.884064 216.8698 2.194031 217.3519 2.836258 217.8340 3.448532 218.3161 4.028381 218.7982 4.685638 219.2803 5.557892 219.7625 6.472885 220.2446 7.029587 220.7267 6.921082 221.2088 6.674835 221.6909 7.140305 222.1730 8.349915 222.6552 9.671509 223.1373 10.89859 223.6194 12.01199 224.1015 12.92932 224.5836 13.49577 225.0657 14.02460 225.5479 14.87000 226.0300 16.03757 226.5121 17.26666 226.9942 18.45691 227.4763 19.59027 227.9584 20.57854 228.4406 21.26880 228.9227 21.94173 229.4048 22.88266 229.8869 24.07751 230.3690 25.20656 230.8511 26.05038 231.3333 26.61258 231.8154 26.93623 232.2975 26.88168 232.7796 26.70132 233.2617 26.55109 233.7438 26.43398 234.2259 26.29065 234.7081 26.10342 235.1902 25.88052 235.6723 25.47621 236.1544 24.59268 236.6365 23.75526 237.1186 23.28143 237.6008 23.11160 238.0829 22.93219 238.5650 22.37753 239.0471 21.35907 239.5292 20.61772 240.0113 20.62973 240.4935 20.52225 240.9756 19.82550 241.4577 18.65057 241.9398 17.47873 242.4219 16.77444 242.9040 16.61053 243.3862 16.39816 243.8683 16.09201 244.3504 15.78439 244.8325 15.51103 245.3146 15.27095 245.7967 15.03531 246.2789 14.75923 246.7610 14.41479 247.2431 14.30280 247.7252 14.59064 248.2073 14.93388 248.6894 15.20300 249.1716 15.41565 249.6537 15.66733 250.1358 16.05814 250.6179 16.61023 251.1000 16.92683 251.5821 16.78859 252.0643 16.66354 252.5464 16.64510 253.0285 16.77144 253.5106 17.14397 253.9927 17.90953 254.4748 19.05841 254.9570 19.46899 255.4391 18.67767 255.9212 17.77637 256.4033 17.10970 256.8854 16.64438 257.3675 16.22690 257.8496 15.75977 258.3318 15.24992 258.8139 14.76160 259.2960 14.51639 259.7781 14.06488 260.2602 12.97606 260.7423 11.54767 261.2245 10.51974 261.7066 10.39421 262.1887 10.94403 262.6708 10.94934 263.1529 10.07748 263.6350 9.177887 264.1172 8.468201 264.5993 7.923981 265.0814 7.495346 265.5635 7.176147 266.0456 6.929306 266.5277 6.649811 267.0099 6.422867 267.4920 6.045227 267.9741 5.289474 268.4562 4.344009 268.9383 3.605637 269.4204 3.254974 269.9026 3.148331 270.3847 2.987762 270.8668 2.759293 271.3489 2.535263 271.8310 2.359818 272.3131 2.203384 272.7953 2.020966 273.2774 1.810455 273.7595 1.539215 274.2416 1.118011 274.7237 0.5390320 275.2058 3.1493999E-02 275.6880 0.7902070 276.1701 1.461365 276.6522 1.436478 277.1343 0.4405210 277.6164 0.8179320 278.0985 1.420288 278.5807 1.442841 279.0628 1.410629 279.5449 1.284378 280.0270 1.246536 280.5091 1.720490 280.9912 2.892044 281.4734 4.027176 281.9555 4.184875 282.4376 3.613266 282.9197 3.308258 283.4018 3.783188 283.8839 4.547821 284.3661 4.969406 284.8482 4.990646 285.3303 4.777954 285.8124 4.272308 286.2945 3.618912 286.7766 3.189560 287.2588 3.184357 287.7409 3.372879 288.2230 3.516754 288.7051 3.614075 289.1872 3.681870 289.6693 3.621582 290.1515 3.572693 290.6336 3.830139 291.1157 4.728607 291.5978 5.587036 292.0799 5.581482 292.5620 4.704315 293.0442 3.998413 293.5263 4.070023 294.0084 4.501312 294.4905 4.639755 294.9726 4.287872 295.4547 4.053757 295.9369 4.591522 296.4190 5.834213 296.9011 6.886169 297.3832 7.444229 297.8653 7.680984 298.3474 7.732559 298.8296 7.563293 299.3117 7.582840 299.7938 8.166580 300.2759 9.218552 300.7580 10.19315 301.2401 10.83746 301.7223 11.58565 302.2044 12.92163 302.6865 14.77872 303.1686 16.54370 303.6507 17.82822 304.1328 18.78098 304.6150 19.79454 305.0971 20.82327 305.5792 22.09142 306.0613 24.06203 306.5434 26.41177 307.0255 28.22632 307.5077 28.94989 307.9898 28.97217 308.4719 28.98553 308.9540 28.96445 309.4361 29.05383 309.9182 29.33264 310.4003 29.77032 310.8824 30.36295 311.3646 31.17961 311.8467 32.08661 312.3288 32.83093 312.8109 33.34607 313.2930 33.94189 313.7751 34.76154 314.2573 35.79417 314.7394 37.01186 315.2215 38.37793 315.7036 40.03873 316.1857 42.23445 316.6678 44.91837 317.1500 47.41881 317.6321 49.59647 318.1142 51.46478 318.5963 53.16356 319.0784 54.71657 319.5605 55.71420 320.0427 55.80789 320.5248 55.08134 321.0069 53.95959 321.4890 52.29480 321.9711 50.52621 322.4532 49.06516 322.9354 47.86765 323.4175 46.69882 323.8996 45.59775 324.3817 44.42470 324.8638 42.72595 325.3459 40.26428 325.8281 37.76135 326.3102 35.83151 326.7923 34.27765 327.2744 32.67256 327.7565 30.61458 328.2386 28.55956 328.7208 27.32738 329.2029 27.06267 329.6850 26.80951 330.1671 25.93098 330.6492 24.76585 331.1313 23.81369 331.6135 23.26657 332.0956 22.78542 332.5777 21.96175 333.0598 20.81577 333.5419 19.87776 334.0240 19.46471 334.5062 19.29030 334.9883 18.97716 335.4704 18.50735 335.9525 17.89236 336.4346 17.07729 336.9167 16.11072 337.3989 15.15848 337.8810 14.16739 338.3631 13.36043 338.8452 13.09515 339.3273 13.31340 339.8094 13.36658 340.2916 12.91115 340.7737 12.15358 341.2558 11.38741 341.7379 10.60333 342.2200 9.989777 342.7021 9.883698 343.1843 10.10110 343.6664 10.06651 344.1485 9.402710 344.6306 8.613464 345.1127 8.269180 345.5948 8.360886 346.0770 8.365738 346.5591 7.866928 347.0412 7.116364 347.5233 6.812180 348.0054 7.265488 348.4875 7.667740 348.9697 7.463837 349.4518 6.802139 349.9339 6.181351 350.4160 5.784866 350.8981 5.499084 351.3802 5.084015 351.8624 4.481247 352.3445 4.063278 352.8266 4.079559 353.3087 4.313141 353.7908 4.467804 354.2729 4.493622 354.7551 4.366196 355.2372 3.999832 355.7193 3.387238 356.2014 2.868271 356.6835 2.537766 357.1656 2.270569 357.6478 1.947815 358.1299 1.574295 358.6120 1.248093 359.0941 1.053802 359.5762 0.9681240 360.0583 0.8107450 360.5405 0.5487670 361.0226 0.2565920 361.5047 6.9885001E-02 361.9868 0.4053190 362.4689 0.7317050 362.9510 1.060440 363.4332 1.306229 363.9153 1.213989 364.3974 0.4991150 364.8795 2.8152000E-02 365.3616 1.2573000E-02 365.8438 0.2478940 366.3259 0.5673220 366.8080 0.9223330 367.2901 1.246964 367.7722 1.461655 368.2543 1.542664 368.7365 1.583466 369.2186 1.699875 369.7007 1.679260 370.1828 1.261078 370.6649 0.5575260 371.1470 4.6112001E-02 371.6291 0.2684940 372.1112 0.1350250 372.5934 6.7474000E-02 373.0755 0.6273800 373.5576 0.9182740 374.0397 0.6096800 374.5218 1.3580000E-03 375.0039 0.4706570 375.4861 0.6214900 375.9682 0.6151890 376.4503 0.8296810 376.9324 1.632843 377.4145 2.056046 377.8966 1.758926 378.3788 1.351181 378.8609 1.292419 379.3430 1.630188 379.8251 2.098343 380.3072 2.424957 380.7893 2.602478 381.2715 2.678665 381.7536 2.451767 382.2357 2.321289 382.7178 2.474945 383.1999 2.822311 383.6820 3.169403 384.1642 3.392105 384.6463 3.534012 385.1284 3.772522 385.6105 4.170959 386.0926 4.567108 386.5747 5.000854 387.0569 5.384674 387.5390 5.644440 388.0211 5.758881 388.5032 5.735046 388.9853 5.465912 389.4674 4.828171 389.9496 4.638916 390.4317 5.625229 390.9138 6.557220 391.3959 6.693222 391.8780 6.169281 392.3601 5.670792 392.8423 5.834946 393.3244 6.461807 393.8065 6.517136 394.2886 5.724548 394.7707 4.899414 395.2528 4.310883 395.7350 3.955994 396.2171 3.901749 396.6992 4.274811 397.1813 4.725708 397.6634 4.728561 398.1455 4.255524 398.6277 4.005203 399.1098 4.373291 399.5919 4.912750 400.0740 5.148056 400.5561 5.057999 401.0382 4.860153 401.5204 4.669388 402.0025 4.462067 402.4846 4.092468 402.9667 3.439011 403.4488 2.977798 403.9309 3.303543 404.4131 4.210968 404.8952 4.991425 405.3773 5.568649 405.8594 5.936325 406.3415 5.822723 406.8236 5.350739 407.3058 5.427017 407.7879 6.693497 408.2700 8.623123 408.7521 9.877808 409.2342 10.37169 409.7163 10.51112 410.1985 10.04225 410.6806 9.419525 411.1627 9.345093 411.6448 9.988861 412.1269 10.96954 412.6090 11.87402 413.0912 12.69701 413.5733 13.41000 414.0554 14.05447 414.5375 14.55756 415.0196 14.86986 415.5017 15.00233 415.9839 14.96371 416.4660 14.73039 416.9481 14.37837 417.4302 14.27715 417.9123 14.62772 418.3944 14.99323 418.8766 15.35510 419.3587 15.68102 419.8408 15.95007 420.3229 16.15909 420.8050 16.32640 421.2871 16.44012 421.7693 16.40891 422.2514 16.82431 422.7335 18.40630 423.2156 19.66461 423.6977 19.65906 424.1798 18.83156 424.6620 18.29744 425.1441 18.83934 425.6262 20.14320 426.1083 21.01552 426.5904 21.19160 427.0725 21.47452 427.5547 22.29327 428.0368 23.15248 428.5189 23.61005 429.0010 23.61702 429.4831 23.55884 429.9652 23.83327 430.4474 24.38420 430.9295 24.69987 431.4116 24.75302 431.8937 24.60764 432.3758 24.37169 432.8579 24.01176 433.3400 23.42859 433.8221 22.48456 434.3043 21.32384 434.7864 20.14226 435.2685 18.92242 435.7506 17.91759 436.2327 17.26385 436.7148 16.82970 437.1970 16.39305 437.6791 15.89815 438.1612 15.50607 438.6433 15.38937 439.1254 15.44728 439.6075 15.50285 440.0897 15.53754 440.5718 15.46449 441.0539 15.15274 441.5360 14.60158 442.0181 14.12283 442.5002 13.56967 442.9824 13.23650 443.4645 13.46414 443.9466 14.09843 444.4287 14.70822 444.9108 15.08224 445.3929 15.19748 445.8751 15.01387 446.3572 14.35007 446.8393 13.67159 447.3214 12.90642 447.8035 12.19193 448.2856 11.65134 448.7678 11.29688 449.2499 11.06133 449.7320 10.91136 450.2141 10.86243 450.6962 10.58549 451.1783 9.882767 451.6605 9.168350 452.1426 8.341492 452.6247 7.600632 453.1068 7.340271 453.5889 7.735641 454.0710 8.330750 454.5532 8.231827 455.0353 7.208405 455.5174 6.272461 455.9995 5.374008 456.4816 4.740021 456.9637 4.710541 457.4459 5.131912 457.9280 5.398743 458.4101 4.966278 458.8922 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