#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:27:40 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1110 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000543.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_1000543 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 R060559 _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 R060559.rod _rod_data_source.block 3500000 _rod_database.code 1000543 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 93.97052 0.0000000E+00 94.45264 3.969360 94.93475 3.282593 95.41687 1.973389 95.89898 1.991638 96.38110 3.376343 96.86321 5.721130 97.34533 7.367554 97.82745 6.017700 98.30956 4.473572 98.79168 3.422363 99.27380 3.943176 99.75591 4.312500 100.2380 4.049744 100.7201 3.467285 101.2023 3.351196 101.6844 3.877441 102.1665 3.670044 102.6486 2.780029 103.1307 1.819397 103.6128 0.9390870 104.0950 0.1582640 104.5771 0.2154540 105.0592 0.3905030 105.5413 1.337708 106.0234 2.931152 106.5055 5.807861 106.9877 9.485962 107.4698 13.42255 107.9519 19.03186 108.4340 23.60675 108.9161 26.31268 109.3982 26.96753 109.8804 25.56720 110.3625 21.67310 110.8446 14.43219 111.3267 9.460876 111.8088 7.742004 112.2909 7.051331 112.7731 6.933472 113.2552 7.254944 113.7373 7.538269 114.2194 7.346069 114.7015 5.719360 115.1836 5.317627 115.6658 6.924011 116.1479 9.437195 116.6300 11.90985 117.1121 13.79974 117.5942 14.88953 118.0763 14.18573 118.5584 10.63995 119.0406 8.240845 119.5227 8.632141 120.0048 11.41791 120.4869 15.17444 120.9690 19.57520 121.4511 24.34839 121.9333 28.41156 122.4154 31.12939 122.8975 33.64185 123.3796 35.61090 123.8617 37.20776 124.3438 38.20770 124.8260 39.12878 125.3081 39.41962 125.7902 38.02496 126.2723 34.14001 126.7544 29.07281 127.2365 25.77869 127.7187 24.96246 128.2008 24.83813 128.6829 25.00348 129.1650 25.38531 129.6471 25.97156 130.1292 26.85785 130.6114 27.97729 131.0935 28.24988 131.5756 26.64636 132.0577 25.12186 132.5398 24.41852 133.0219 24.24963 133.5041 23.80438 133.9862 22.29233 134.4683 19.42746 134.9504 17.56836 135.4325 17.09760 135.9146 17.03708 136.3968 17.04364 136.8789 17.00043 137.3610 16.66037 137.8431 15.57916 138.3252 13.45328 138.8073 12.35245 139.2895 13.08701 139.7716 14.63776 140.2537 15.93304 140.7358 16.80081 141.2179 17.12787 141.7000 16.66855 142.1821 15.53256 142.6643 14.03494 143.1464 12.15378 143.6285 9.970673 144.1106 7.732300 144.5927 5.305328 145.0748 3.071808 145.5570 1.316162 146.0391 2.5878999E-02 146.5212 1.051788 147.0033 2.034729 147.4854 2.893738 147.9675 3.816620 148.4497 5.179688 148.9318 6.413788 149.4139 7.061584 149.8960 7.054932 150.3781 6.881531 150.8602 7.328308 151.3424 8.872131 151.8245 7.363342 152.3066 5.219940 152.7887 2.962128 153.2708 1.059509 153.7529 0.3426510 154.2351 1.522644 154.7172 3.162292 155.1993 5.940552 155.6814 8.437103 156.1635 10.69272 156.6456 12.60941 157.1278 14.06567 157.6099 15.00156 158.0920 15.49048 158.5741 15.78662 159.0562 15.48178 159.5383 15.47409 160.0205 16.00809 160.5026 16.98843 160.9847 18.29855 161.4668 20.01105 161.9489 21.90042 162.4310 23.10385 162.9131 23.19440 163.3953 23.14273 163.8774 23.47766 164.3595 24.18094 164.8416 25.03220 165.3237 25.96475 165.8058 26.94647 166.2880 27.90158 166.7701 28.76691 167.2522 29.62793 167.7343 30.57065 168.2164 31.58432 168.6985 32.64862 169.1807 33.81586 169.6628 35.03973 170.1449 36.28415 170.6270 37.61597 171.1091 38.92300 171.5912 39.97665 172.0734 40.88474 172.5555 41.23486 173.0376 40.93365 173.5197 40.14011 174.0018 38.92056 174.4839 37.08765 174.9661 34.87277 175.4482 33.79510 175.9303 34.92752 176.4124 36.04282 176.8945 36.59567 177.3766 36.73483 177.8588 36.74414 178.3409 36.79126 178.8230 36.87643 179.3051 37.03973 179.7872 37.38455 180.2693 37.67380 180.7515 37.82455 181.2336 37.86172 181.7157 37.85165 182.1978 37.84128 182.6799 37.82843 183.1620 37.85486 183.6441 38.05664 184.1263 38.14441 184.6084 37.76501 185.0905 37.03397 185.5726 36.52612 186.0547 36.82104 186.5368 38.07153 187.0190 38.98755 187.5011 39.82419 187.9832 40.17953 188.4653 39.61142 188.9474 38.09595 189.4296 36.17923 189.9117 34.32553 190.3938 32.54852 190.8759 30.76605 191.3580 28.85342 191.8401 26.98270 192.3223 25.27686 192.8044 23.72781 193.2865 22.52237 193.7686 22.02847 194.2507 22.06339 194.7328 22.18500 195.2150 22.27939 195.6971 22.35464 196.1792 22.34711 196.6613 22.09082 197.1434 22.19455 197.6255 23.33762 198.1077 25.18604 198.5898 26.89304 199.0719 27.88550 199.5540 28.34143 200.0361 29.02618 200.5182 29.97519 201.0004 31.15610 201.4825 32.34970 201.9646 33.67731 202.4467 35.44971 202.9288 38.23654 203.4109 41.92792 203.8930 44.53513 204.3752 45.19431 204.8573 45.57956 205.3394 46.37924 205.8215 47.43555 206.3036 48.25513 206.7857 48.38419 207.2679 47.81332 207.7500 47.55261 208.2321 47.66486 208.7142 48.03891 209.1963 48.41949 209.6784 49.12589 210.1606 50.60718 210.6427 53.39529 211.1248 57.68484 211.6069 61.08679 212.0890 63.78864 212.5711 65.50269 213.0533 66.17471 213.5354 65.72998 214.0175 64.07874 214.4996 61.10690 214.9817 56.70557 215.4638 51.44501 215.9460 44.30249 216.4281 37.37762 216.9102 31.77115 217.3923 27.42447 217.8744 23.44427 218.3565 18.95709 218.8387 13.82315 219.3208 10.01450 219.8029 8.217712 220.2850 6.991425 220.7671 5.397583 221.2492 3.441406 221.7314 1.795410 222.2135 1.112396 222.6956 1.480774 223.1777 1.621704 223.6598 1.207031 224.1419 0.8064580 224.6240 0.8903810 225.1062 1.469910 225.5883 2.161530 226.0704 2.594116 226.5525 2.849609 227.0346 3.499451 227.5167 4.606110 227.9989 6.106537 228.4810 8.060059 228.9631 10.47827 229.4452 12.93845 229.9273 15.10779 230.4094 17.06506 230.8916 19.05054 231.3737 21.22260 231.8558 23.35898 232.3379 25.19250 232.8200 26.69739 233.3021 28.06067 233.7843 29.24927 234.2664 30.41260 234.7485 31.80237 235.2306 33.56799 235.7127 35.51053 236.1948 37.41568 236.6770 39.31979 237.1591 41.08206 237.6412 42.71234 238.1233 44.14490 238.6054 45.24832 239.0875 45.89990 239.5697 46.32404 240.0518 47.01636 240.5339 48.26196 241.0160 48.84518 241.4981 47.79266 241.9802 46.09320 242.4624 44.62659 242.9445 43.70419 243.4266 43.09518 243.9087 42.43927 244.3908 41.75409 244.8729 40.97763 245.3550 39.76666 245.8372 38.62308 246.3193 37.99722 246.8014 38.04456 247.2835 38.55789 247.7656 39.14731 248.2477 39.62030 248.7299 40.67770 249.2120 42.76434 249.6941 45.20062 250.1762 47.51193 250.6583 49.55365 251.1404 51.42398 251.6226 53.24277 252.1047 54.78415 252.5868 56.81409 253.0689 59.81497 253.5510 62.97849 254.0331 65.71875 254.5153 67.89514 254.9974 69.83276 255.4795 72.09912 255.9616 75.08008 256.4437 77.52197 256.9258 79.36230 257.4080 80.80402 257.8901 81.96585 258.3722 82.87238 258.8543 83.51031 259.3364 83.83423 259.8185 83.70926 260.3007 83.59265 260.7828 83.64865 261.2649 83.58948 261.7470 83.32245 262.2291 82.79095 262.7112 81.90448 263.1934 80.54590 263.6755 78.64960 264.1576 76.44327 264.6397 74.14441 265.1218 71.44025 265.6039 67.90866 266.0861 63.71063 266.5682 59.51285 267.0503 56.00067 267.5324 53.33807 268.0145 50.37247 268.4966 46.81573 268.9788 43.28220 269.4609 40.18790 269.9430 37.43835 270.4251 34.59146 270.9072 31.23120 271.3893 27.34564 271.8715 23.95709 272.3536 20.96402 272.8357 18.44537 273.3178 16.65247 273.7999 15.39853 274.2820 14.18863 274.7642 12.64294 275.2463 10.83164 275.7284 9.707550 276.2105 9.636383 276.6926 9.669281 277.1747 9.330811 277.6568 8.847168 278.1389 8.822937 278.6211 9.671814 279.1032 11.11639 279.5853 11.90027 280.0674 11.55560 280.5495 11.29742 281.0316 11.50174 281.5138 12.00296 281.9959 12.48856 282.4780 12.81113 282.9601 13.05039 283.4422 13.36664 283.9243 13.55832 284.4065 14.10413 284.8886 15.08942 285.3707 16.47946 285.8528 18.50235 286.3349 21.35385 286.8170 24.14407 287.2992 25.14392 287.7813 23.69489 288.2634 22.75891 288.7455 23.00223 289.2276 23.97882 289.7097 25.18430 290.1919 26.50757 290.6740 28.00586 291.1561 29.85898 291.6382 32.13754 292.1203 34.14346 292.6024 35.57297 293.0846 36.83133 293.5667 38.47177 294.0488 40.55435 294.5309 42.36456 295.0130 43.18179 295.4951 42.95676 295.9773 42.70432 296.4594 42.12503 296.9415 41.76749 297.4236 42.36655 297.9057 43.82788 298.3878 44.95877 298.8700 44.77750 299.3521 43.49475 299.8342 42.76651 300.3163 42.67126 300.7984 43.04279 301.2805 43.91342 301.7627 45.21576 302.2448 46.69470 302.7269 48.32040 303.2090 49.96140 303.6911 51.24908 304.1732 52.02917 304.6554 52.76520 305.1375 53.98334 305.6196 55.34280 306.1017 55.97424 306.5838 55.56378 307.0659 54.24588 307.5481 52.10571 308.0302 48.99829 308.5123 45.90692 308.9944 43.28030 309.4765 40.85312 309.9586 38.13504 310.4408 34.95901 310.9229 31.70068 311.4050 28.79248 311.8871 26.17224 312.3692 24.15686 312.8513 23.28455 313.3335 22.83173 313.8156 21.76392 314.2977 19.90488 314.7798 18.20395 315.2619 17.50537 315.7440 17.81259 316.2262 18.59033 316.7083 20.34286 317.1904 22.16461 317.6725 23.10535 318.1546 23.21790 318.6367 23.56699 319.1188 25.00488 319.6010 27.25748 320.0831 28.91681 320.5652 29.73221 321.0473 30.23718 321.5294 30.70361 322.0115 31.09952 322.4937 31.35779 322.9758 31.53189 323.4579 31.43643 323.9400 30.55020 324.4221 28.51431 324.9042 26.61768 325.3864 25.48694 325.8685 24.77927 326.3506 23.87509 326.8327 22.60199 327.3148 20.99124 327.7969 18.92484 328.2791 16.26932 328.7612 14.00208 329.2433 12.43359 329.7254 11.29614 330.2075 10.43927 330.6896 9.837433 331.1718 9.075439 331.6539 7.639404 332.1360 5.464935 332.6181 3.584473 333.1002 1.851074 333.5823 0.5479430 334.0645 9.9365003E-02 334.5466 0.4078670 335.0287 0.7448120 335.5108 0.5854490 335.9929 2.3529001E-02 336.4750 0.4695430 336.9572 0.3086240 337.4393 0.4604800 337.9214 1.731750 338.4035 3.653229 338.8856 4.986176 339.3677 5.069824 339.8499 4.357727 340.3320 4.151489 340.8141 4.911469 341.2962 5.311584 341.7783 4.928467 342.2604 4.153229 342.7426 3.402771 343.2247 2.776459 343.7068 2.262848 344.1889 1.932404 344.6710 2.008850 345.1531 1.612457 345.6353 0.1851810 346.1174 1.366028 346.5995 2.237274 347.0816 2.419678 347.5637 2.566864 348.0458 3.337585 348.5280 4.780487 349.0101 5.440033 349.4922 4.949432 349.9743 4.283203 350.4564 3.470490 350.9385 2.715118 351.4207 2.579712 351.9028 3.505066 352.3849 5.159851 352.8670 6.038727 353.3491 5.179932 353.8312 4.746094 354.3134 5.225769 354.7955 6.182648 355.2776 7.249023 355.7597 8.275879 356.2418 9.047119 356.7239 9.156342 357.2061 8.111603 357.6882 7.381012 358.1703 7.082397 358.6524 6.972534 359.1345 6.886536 359.6166 6.811249 360.0987 6.851807 360.5808 7.134369 361.0630 7.698792 361.5451 8.101013 362.0272 7.977692 362.5093 8.074860 362.9914 8.870819 363.4735 10.05594 363.9557 11.00540 364.4378 11.32181 364.9199 11.17429 365.4020 11.26505 365.8841 11.48090 366.3662 12.15250 366.8484 13.89670 367.3305 15.79810 367.8126 16.82947 368.2947 16.70380 368.7768 16.14886 369.2589 16.35098 369.7411 17.71045 370.2232 18.74036 370.7053 19.07553 371.1874 19.35577 371.6695 19.88339 372.1516 20.67715 372.6338 21.62299 373.1159 22.66461 373.5980 23.79346 374.0801 24.79282 374.5622 25.63812 375.0443 26.36322 375.5265 26.90167 376.0086 27.35318 376.4907 27.88760 376.9728 28.61844 377.4549 29.40656 377.9370 29.90283 378.4192 29.97208 378.9013 30.13403 379.3834 31.30292 379.8655 32.15848 380.3476 31.35718 380.8297 28.65640 381.3119 25.55811 381.7940 23.80615 382.2761 23.35629 382.7582 22.03989 383.2403 18.77405 383.7224 15.54614 384.2046 13.76904 384.6867 13.17075 385.1688 12.66806 385.6509 11.62170 386.1330 10.29254 386.6151 9.277252 387.0973 8.635010 387.5794 8.106171 388.0615 7.655701 388.5436 7.188629 389.0257 6.478149 389.5078 5.192963 389.9900 4.179810 390.4721 4.595215 390.9542 6.198730 391.4363 6.995117 391.9184 5.918427 392.4005 4.265808 392.8827 4.002136 393.3648 5.238892 393.8469 6.147614 394.3290 5.665497 394.8111 4.532806 395.2932 3.996582 395.7754 4.249847 396.2575 4.453033 396.7396 3.826385 397.2217 2.493469 397.7038 1.511383 398.1859 0.9200740 398.6681 0.6054080 399.1501 0.7431640 399.6323 1.209564 400.1144 1.459991 400.5965 1.170654 401.0786 0.5418400 401.5607 0.1773380 402.0428 0.2256770 402.5250 0.1949770 403.0071 5.3893998E-02 403.4892 0.3441470 403.9713 0.5472720 404.4534 0.6360780 404.9355 0.6486820 405.4177 0.5989690 405.8998 0.4239200 406.3819 0.5332340 406.8640 1.446014 407.3461 2.114166 407.8282 1.892883 408.3104 0.9923100 408.7925 6.8049999E-03 409.2746 0.7027890 409.7567 1.197571 410.2388 1.764496 410.7209 2.484833 411.2031 3.176697 411.6852 3.836700 412.1673 4.456329 412.6494 5.024902 413.1315 5.541473 413.6136 6.023224 414.0958 6.530029 414.5779 7.141510 415.0600 7.458038 415.5421 7.005798 416.0242 6.696716 416.5063 7.019867 416.9885 7.784027 417.4706 8.456116 417.9527 8.624817 418.4348 8.520844 418.9169 9.004944 419.3990 10.40469 419.8812 11.66632 420.3633 12.30005 420.8454 12.74176 421.3275 13.42697 421.8096 14.46640 422.2917 15.50928 422.7739 16.07535 423.2560 16.19977 423.7381 16.67288 424.2202 17.72079 424.7023 19.00217 425.1844 20.31430 425.6666 21.63458 426.1487 22.88940 426.6308 23.95599 427.1129 24.98193 427.5950 26.10172 428.0771 27.30701 428.5593 28.87320 429.0414 31.07318 429.5235 33.68585 430.0056 36.19812 430.4877 38.70175 430.9698 40.90338 431.4520 42.64911 431.9341 43.98682 432.4162 44.94748 432.8983 45.50415 433.3804 45.92294 433.8625 46.59985 434.3447 47.61728 434.8268 47.98895 435.3089 47.41135 435.7910 46.40823 436.2731 45.28555 436.7552 44.03674 437.2374 42.47238 437.7195 40.41998 438.2016 38.10086 438.6837 36.40170 439.1658 35.72595 439.6479 35.16815 440.1301 34.74088 440.6122 34.36548 441.0943 33.91721 441.5764 33.40765 442.0585 33.04022 442.5406 33.10306 443.0227 33.69348 443.5049 33.94763 443.9870 33.43839 444.4691 33.09116 444.9512 33.16788 445.4333 33.51074 445.9154 34.02142 446.3976 34.72635 446.8797 35.42892 447.3618 35.42026 447.8439 34.30450 448.3260 33.33530 448.8081 33.01843 449.2903 32.83463 449.7724 32.49094 450.2545 31.87247 450.7366 30.92386 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