#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:41:14 +0300 (Thu, 07 Jun 2018) $ #$Revision: 921 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000394.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_1000394 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 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 R050183.rod _rod_data_source.block 3500000 _rod_database.code 1000394 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 139.0943 0.0000000E+00 139.5765 1.026352 140.0586 1.984772 140.5407 2.394562 141.0228 2.193954 141.5049 1.918716 141.9870 1.884430 142.4692 2.273285 142.9513 1.974304 143.4334 1.710648 143.9155 1.452026 144.3976 1.084198 144.8797 0.2184300 145.3619 0.1656040 145.8440 0.2102510 146.3261 1.165161 146.8082 1.722885 147.2903 1.736160 147.7724 1.533691 148.2546 1.296402 148.7367 0.8641510 149.2188 0.7122500 149.7009 1.515869 150.1830 2.203995 150.6651 2.993546 151.1473 4.010605 151.6294 5.049332 152.1115 5.696609 152.5936 5.667618 153.0757 5.572678 153.5578 5.369995 154.0400 5.037186 154.5221 5.024582 155.0042 6.038300 155.4863 7.061371 155.9684 7.217056 156.4505 5.235168 156.9327 3.502136 157.4148 2.839584 157.8969 3.461685 158.3790 3.582458 158.8611 2.278885 159.3432 0.5111080 159.8254 0.6690980 160.3075 0.6062320 160.7896 0.2761990 161.2717 8.3130002E-02 161.7538 0.1249240 162.2359 8.1940003E-02 162.7181 1.127121 163.2002 2.441040 163.6823 3.231033 164.1644 2.603043 164.6465 1.829559 165.1286 1.634949 165.6108 2.207352 166.0929 2.929733 166.5750 3.814789 167.0571 4.627075 167.5392 4.939362 168.0213 3.864853 168.5035 2.621613 168.9856 2.211243 169.4677 2.995621 169.9498 3.945023 170.4319 4.361267 170.9140 4.411636 171.3962 4.483017 171.8783 4.952271 172.3604 5.470749 172.8425 5.607864 173.3246 5.112259 173.8067 4.651169 174.2889 5.034805 174.7710 6.005783 175.2531 6.728455 175.7352 6.417816 176.2173 5.629868 176.6994 5.113937 177.1816 5.049957 177.6637 5.239258 178.1458 5.504227 178.6279 5.940613 179.1100 6.635132 179.5921 7.340652 180.0743 8.077011 180.5564 9.084015 181.0385 10.57085 181.5206 12.07552 182.0027 13.02800 182.4848 13.53915 182.9670 13.95354 183.4491 14.41063 183.9312 14.96401 184.4133 15.80952 184.8954 17.19409 185.3775 18.68053 185.8597 19.43320 186.3418 19.45732 186.8239 19.32281 187.3060 19.68817 187.7881 20.36389 188.2702 20.50156 188.7523 19.90448 189.2345 18.65494 189.7166 16.72375 190.1987 14.05925 190.6808 11.42018 191.1629 9.497406 191.6451 8.232529 192.1272 7.134750 192.6093 6.058105 193.0914 5.074249 193.5735 4.367844 194.0556 3.932877 194.5378 3.796875 195.0199 4.128021 195.5020 4.901199 195.9841 5.504593 196.4662 5.645538 196.9483 5.536621 197.4305 5.998154 197.9126 7.110825 198.3947 8.387299 198.8768 9.325699 199.3589 9.917770 199.8410 10.35893 200.3232 10.63547 200.8053 10.78537 201.2874 11.07945 201.7695 11.55814 202.2516 12.04237 202.7337 12.29178 203.2159 12.25208 203.6980 12.37727 204.1801 12.86609 204.6622 13.64685 205.1443 14.02463 205.6264 13.89284 206.1086 13.62402 206.5907 13.57045 207.0728 13.73190 207.5549 14.14388 208.0370 14.96249 208.5191 16.13882 209.0013 16.75426 209.4834 16.65837 209.9655 16.28998 210.4476 16.12688 210.9297 16.24258 211.4118 16.31905 211.8940 16.43451 212.3761 16.57225 212.8582 15.80438 213.3403 13.87349 213.8224 11.44176 214.3045 9.162323 214.7867 6.942764 215.2688 5.117081 215.7509 3.837006 216.2330 3.106567 216.7151 2.239838 217.1972 1.126862 217.6794 6.1797999E-02 218.1615 1.029037 218.6436 1.763702 219.1257 2.280853 219.6078 2.570404 220.0899 2.621292 220.5721 2.559021 221.0542 2.402313 221.5363 2.181747 222.0184 1.942123 222.5005 1.713516 222.9826 1.380722 223.4648 0.8867340 223.9469 0.2186430 224.4290 0.2974090 224.9111 0.5397190 225.3932 0.7814030 225.8753 1.346024 226.3575 2.443466 226.8396 3.409866 227.3217 4.096771 227.8038 4.514465 228.2859 4.798721 228.7680 4.921402 229.2502 4.945877 229.7323 4.882874 230.2144 4.545364 230.6965 4.520782 231.1786 5.048035 231.6607 6.126816 232.1429 6.854324 232.6250 7.189377 233.1071 7.222687 233.5892 7.002029 234.0713 6.419312 234.5534 5.795074 235.0356 5.128799 235.5177 4.431458 235.9998 3.940323 236.4819 3.695297 236.9640 3.602524 237.4461 3.594299 237.9283 3.708084 238.4104 3.831772 238.8925 3.988220 239.3746 4.167694 239.8567 4.152863 240.3388 3.854019 240.8210 3.464966 241.3031 3.109940 241.7852 2.703674 242.2673 2.509598 242.7494 2.634232 243.2315 3.044846 243.7137 3.357574 244.1958 3.622696 244.6779 3.735947 245.1600 3.558762 245.6421 2.763290 246.1242 2.396240 246.6064 2.845779 247.0885 3.912933 247.5706 4.130005 248.0527 2.941574 248.5348 1.637161 249.0169 1.049057 249.4990 1.375488 249.9812 1.997330 250.4633 3.068085 250.9454 4.422363 251.4275 5.191864 251.9096 4.960495 252.3917 4.742645 252.8739 5.242615 253.3560 7.076126 253.8381 8.093765 254.3202 7.863434 254.8023 6.751602 255.2844 6.104248 255.7666 6.050415 256.2487 6.238693 256.7308 6.518295 257.2129 6.956818 257.6950 7.305984 258.1772 7.582520 258.6593 7.751846 259.1414 7.729736 259.6235 7.494400 260.1056 7.102951 260.5877 6.492859 261.0699 5.459991 261.5520 4.892059 262.0341 4.927750 262.5162 5.350479 262.9983 5.779892 263.4804 6.362747 263.9626 6.617142 264.4447 6.254776 264.9268 5.084076 265.4089 4.122543 265.8910 3.304977 266.3731 2.753494 266.8553 2.625977 267.3374 2.858017 267.8195 3.725052 268.3016 5.579056 268.7837 8.663269 269.2658 10.75883 269.7480 11.62918 270.2301 11.83922 270.7122 12.42413 271.1943 13.83269 271.6764 13.89137 272.1585 11.27786 272.6407 5.985153 273.1228 2.670837 273.6049 1.751831 274.0870 2.072189 274.5691 2.437302 275.0512 2.878860 275.5334 3.137192 276.0155 2.987961 276.4976 2.507584 276.9797 2.596237 277.4618 3.472000 277.9439 4.379745 278.4261 4.411057 278.9081 3.460571 279.3903 2.798630 279.8724 2.799606 280.3545 3.311172 280.8366 3.727051 281.3187 4.106201 281.8008 4.195892 282.2830 3.501297 282.7651 1.988937 283.2472 1.023666 283.7293 0.9074550 284.2114 1.451172 284.6935 2.263931 285.1757 3.400909 285.6578 4.319031 286.1399 4.563400 286.6220 4.170319 287.1041 3.551392 287.5862 2.586197 288.0684 1.667007 288.5505 1.694717 289.0326 2.668045 289.5147 3.945007 289.9968 5.444733 290.4789 7.028183 290.9611 7.739960 291.4432 7.342911 291.9253 6.496964 292.4074 6.208771 292.8895 6.434647 293.3716 6.753082 293.8538 6.781708 294.3359 6.718948 294.8180 7.358826 295.3001 8.849670 295.7822 10.43340 296.2643 11.19202 296.7465 11.22867 297.2286 11.03516 297.7107 10.50238 298.1928 9.950134 298.6749 10.18002 299.1570 11.22816 299.6392 12.47794 300.1213 13.22707 300.6034 13.68071 301.0855 14.33263 301.5676 15.42752 302.0497 16.78828 302.5319 18.15221 303.0140 19.53461 303.4961 20.98630 303.9782 22.55571 304.4603 24.22226 304.9424 26.02020 305.4246 27.94798 305.9067 29.99380 306.3888 32.57158 306.8709 35.42569 307.3530 37.37331 307.8351 37.21999 308.3173 35.84836 308.7994 34.30440 309.2815 32.81462 309.7636 31.14641 310.2457 28.92592 310.7278 26.34172 311.2100 23.94955 311.6921 21.88266 312.1742 20.21954 312.6563 19.12459 313.1384 18.68085 313.6205 18.52660 314.1027 18.35951 314.5848 18.35043 315.0669 18.78934 315.5490 20.09502 316.0311 21.67067 316.5132 23.21294 316.9954 24.71933 317.4775 26.03322 317.9596 26.87126 318.4417 27.54399 318.9238 28.41425 319.4059 29.98563 319.8881 31.40469 320.3702 32.34674 320.8523 32.80943 321.3344 32.94806 321.8165 32.90948 322.2986 32.50412 322.7808 31.58908 323.2629 29.20636 323.7450 27.31651 324.2271 26.85745 324.7092 27.44801 325.1913 27.09703 325.6735 24.36137 326.1556 21.45573 326.6377 19.51164 327.1198 19.34177 327.6019 19.09755 328.0840 18.66113 328.5662 18.08199 329.0483 17.46649 329.5304 16.83060 330.0125 16.15326 330.4946 15.30923 330.9767 13.91493 331.4589 13.45270 331.9410 14.72792 332.4231 16.56210 332.9052 17.27983 333.3873 16.13390 333.8694 15.00273 334.3516 14.27124 334.8337 13.93399 335.3158 13.99216 335.7979 14.59233 336.2800 15.41202 336.7621 16.17535 337.2443 16.92918 337.7264 17.51297 338.2085 17.90901 338.6906 18.11710 339.1727 18.08588 339.6548 17.69507 340.1370 17.44482 340.6191 17.65501 341.1012 18.32774 341.5833 19.13345 342.0654 20.15028 342.5475 21.21324 343.0297 21.73557 343.5118 21.60306 343.9939 21.61026 344.4760 22.39745 344.9581 23.89148 345.4402 24.90155 345.9224 25.29323 346.4045 25.41183 346.8866 25.80620 347.3687 26.46129 347.8508 26.98911 348.3329 27.26826 348.8151 27.26155 349.2972 26.83327 349.7793 25.98418 350.2614 25.05829 350.7435 24.44179 351.2256 24.02870 351.7078 23.50446 352.1899 22.79358 352.6720 21.92120 353.1541 20.75662 353.6362 19.36218 354.1183 18.18456 354.6005 17.86307 355.0826 17.84142 355.5647 17.25980 356.0468 15.80145 356.5289 14.21097 357.0110 13.04469 357.4932 12.22371 357.9753 11.56445 358.4574 11.14285 358.9395 10.73663 359.4216 10.18974 359.9037 9.488388 360.3859 8.644104 360.8680 7.484970 361.3501 6.249069 361.8322 5.231598 362.3143 4.817902 362.7964 4.382385 363.2786 3.514160 363.7607 2.270386 364.2428 1.313751 364.7249 0.9884640 365.2070 0.9629060 365.6891 1.024200 366.1713 1.393631 366.6534 1.518890 367.1355 1.020798 367.6176 0.1756440 368.0997 0.2311710 368.5818 0.3872680 369.0640 1.040756 369.5461 1.305786 370.0282 0.8393400 370.5103 0.8152470 370.9924 1.621841 371.4745 2.707001 371.9567 3.342957 372.4388 3.336548 372.9209 3.141556 373.4030 2.674576 373.8851 1.913681 374.3672 1.920502 374.8494 3.051270 375.3315 4.461716 375.8136 5.450928 376.2957 5.916748 376.7778 6.301987 377.2599 6.631943 377.7421 6.921463 378.2242 7.255386 378.7063 7.665588 379.1884 7.962097 379.6705 8.039490 380.1526 7.895981 380.6348 7.562271 381.1169 7.006073 381.5990 6.353561 382.0811 5.813644 382.5632 5.380539 383.0453 4.823883 383.5275 3.935196 384.0096 2.884079 384.4917 2.195023 384.9738 1.876923 385.4559 1.747879 385.9380 1.728958 386.4202 1.775970 386.9023 1.780014 387.3844 1.736359 387.8665 1.605087 388.3486 1.193542 388.8307 0.6000060 389.3129 0.2199710 389.7950 0.4986270 390.2771 1.013474 390.7592 1.277130 391.2413 1.178360 391.7234 1.053055 392.2056 1.221252 392.6877 1.496750 393.1698 1.591522 393.6519 1.212830 394.1340 0.7760620 394.6161 0.5133210 395.0983 0.4271850 395.5804 0.3309780 396.0625 0.2702030 396.5446 0.1105960 397.0267 0.2551120 397.5089 1.286499 397.9910 1.999527 398.4731 2.033752 398.9552 1.597931 399.4373 1.317078 399.9194 1.490356 400.4016 1.619125 400.8837 1.485474 401.3658 0.9296570 401.8479 0.6090240 402.3300 0.7024080 402.8121 0.9198910 403.2942 0.8932800 403.7763 0.4381710 404.2585 9.9854000E-02 404.7406 6.6863999E-02 405.2227 0.2865910 405.7048 0.1928860 406.1869 0.2923280 406.6690 0.9582520 407.1512 1.676773 407.6333 2.447647 408.1154 3.168488 408.5975 3.808701 409.0796 4.391373 409.5617 5.085999 410.0439 5.913986 410.5260 6.417740 411.0081 6.105453 411.4902 5.239441 411.9723 4.905151 412.4544 5.120895 412.9366 5.709244 413.4187 6.710938 413.9008 7.959900 414.3829 8.966171 414.8650 9.517731 415.3471 9.824982 415.8293 10.17834 416.3114 10.56165 416.7935 10.79820 417.2756 10.53180 417.7577 10.18945 418.2398 10.25632 418.7220 10.87790 419.2041 11.60068 419.6862 12.31548 420.1683 12.96562 420.6504 13.40813 421.1325 13.18956 421.6147 13.09393 422.0968 13.51976 422.5789 14.46066 423.0610 15.42389 423.5431 16.11960 424.0252 16.90994 424.5074 18.05219 424.9895 19.75375 425.4716 21.53334 425.9537 23.51399 426.4358 25.55043 426.9179 27.30428 427.4001 28.67653 427.8822 29.89671 428.3643 30.96484 428.8464 31.81172 429.3285 33.01591 429.8106 34.74007 430.2928 36.59726 430.7749 38.36522 431.2570 40.21227 431.7391 41.18434 432.2212 41.02121 432.7033 40.00874 433.1855 39.11029 433.6676 38.33752 434.1497 37.42081 434.6318 36.21021 435.1139 34.74040 435.5960 32.97690 436.0782 30.81049 436.5603 28.75734 437.0424 27.56252 437.5245 27.07130 438.0066 26.68852 438.4887 26.25557 438.9709 25.76691 439.4530 25.13338 439.9351 24.38934 440.4172 23.79054 440.8993 23.58295 441.3814 23.56506 441.8636 23.54468 442.3457 23.51180 442.8278 23.40030 443.3099 23.01323 443.7920 22.55054 444.2741 22.32925 444.7563 22.71092 445.2384 23.12563 445.7205 23.50169 446.2026 23.82825 446.6847 23.67261 447.1668 22.37964 447.6490 20.95248 448.1311 20.02617 448.6132 20.52809 449.0953 20.32677 449.5774 18.97403 450.0595 17.01723 450.5417 15.65614 451.0238 15.21220 451.5059 14.81926 451.9880 14.22777 452.4701 13.42499 452.9522 12.52798 453.4344 11.47052 453.9165 10.45984 454.3986 9.751556 454.8807 9.327728 455.3628 8.519501 455.8449 7.059814 456.3271 5.481445 456.8092 5.003082 457.2913 5.530060 457.7734 6.001709 458.2555 5.905212 458.7376 5.499237 459.2198 5.320297 459.7019 5.386581 460.1840 5.366333 460.6661 4.899796 461.1482 4.189407 461.6303 3.585083 462.1125 3.276886 462.5946 2.949677 463.0767 2.285629 463.5588 1.420792 464.0409 0.7193910 464.5230 0.2485500 465.0052 2.6077000E-02 465.4873 0.1222530 465.9694 0.5848540 466.4515 1.099884 466.9336 1.848495 467.4157 2.484344 467.8979 2.680710 468.3800 1.970749 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0.4962770 494.4143 8.7615997E-02 494.8964 0.9150240 495.3785 2.170319 495.8606 3.273422 496.3427 3.081741 496.8249 1.897141 497.3070 0.8594360 497.7891 0.7541660 498.2712 1.032593 498.7533 1.143753 499.2354 1.056961 499.7176 0.9458770 500.1997 0.9858250 500.6818 1.016434 501.1639 0.8636630 501.6460 0.1611630 502.1281 0.2463680 502.6103 0.1959380 503.0924 1.081833 503.5745 1.535294 504.0566 1.015823 504.5387 0.4819490 505.0208 0.1092380 505.5030 0.1074680 505.9851 2.6276000E-02 506.4672 0.8095250 506.9493 1.539246 507.4314 1.651001 507.9135 0.9637760 508.3957 0.4974670 508.8778 0.3696900 509.3599 0.3949130 509.8420 0.2448880 510.3241 7.7193998E-02 510.8062 0.3822480 511.2884 0.7133330 511.7705 0.9241030 512.2526 0.3279270 512.7347 0.9758910 513.2168 1.773224 513.6989 0.3919830 514.1810 1.745956 514.6631 2.469757 515.1453 1.217697 515.6274 0.1871190 516.1095 0.4867550 516.5916 0.1925810 517.0737 1.2695000E-02 517.5558 0.3191680 518.0380 0.5547030 518.5201 0.3283840 519.0022 0.2341920 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785.1306 147.0940 785.6127 147.5261 786.0948 146.0021 786.5769 142.4029 787.0590 136.1720 787.5411 128.1826 788.0233 119.8651 788.5054 111.1601 788.9875 102.0357 789.4696 91.90729 789.9517 81.92282 790.4338 72.68130 790.9160 64.21286 791.3981 56.79495 791.8802 50.78125 792.3623 45.43454 792.8444 40.58295 793.3265 36.17215 793.8087 31.89670 794.2908 27.72162 794.7729 24.26907 795.2550 21.99713 795.7371 20.69629 796.2192 20.39059 796.7014 20.98834 797.1835 21.68018 797.6656 21.74295 798.1477 22.09558 798.6298 23.37961 799.1119 25.62790 799.5941 27.59573 800.0762 29.05325 800.5583 30.71481 801.0404 32.78543 801.5225 35.35583 802.0046 39.50772 802.4868 45.15680 802.9689 50.44116 803.4510 53.29602 803.9331 55.63562 804.4152 59.49011 804.8973 64.91010 805.3795 70.46286 805.8616 75.85736 806.3437 81.21402 806.8258 86.82651 807.3079 92.65707 807.7900 97.43277 808.2722 101.0626 808.7543 104.0061 809.2364 106.1607 809.7185 107.8657 810.2006 110.3594 810.6827 113.5450 811.1649 116.6711 811.6470 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