#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:33:25 +0300 (Thu, 24 May 2018) $ #$Revision: 720 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000225.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_1000225 loop_ _publ_author_name 'Mills, S. J.' 'Whitfield, P. S.' 'Wilson, S. A.' 'Woodhouse, J. N.' 'Dipple, G. M.' 'Raudsepp, M.' 'Francis, C. A.' _publ_section_title ; The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: 3R1 polytype of stichtite ; _journal_name_full 'American Mineralogist' _journal_page_first 179 _journal_page_last 187 _journal_paper_doi 10.2138/am.2011.3531 _journal_volume 96 _journal_year 2011 _chemical_compound_source 'Tasmania, Australia' _chemical_formula_sum 'C0.118 H3.224 Cr0.23 Mg0.77 O2.966' _chemical_name_mineral Stichtite _space_group_IT_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 3.09552 _cell_length_b 3.09552 _cell_length_c 23.5042 _cell_volume 195.049 _exptl_crystal_density_diffrn 2.115 _cod_original_sg_symbol_H-M 'R -3 m' _cod_original_formula_sum '(Mg.77 Cr.23) O2.966 H3.224 C.118' _cod_database_code 9016161 _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 R060303.rod _rod_data_source.block 3500000 _rod_database.code 1000225 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 9016161 COD http://www.crystallography.net/cod/9016161.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 160.8812 0.0000000E+00 161.3633 0.8242650 161.8455 2.487289 162.3276 3.111740 162.8097 2.011108 163.2918 1.585480 163.7739 3.039703 164.2560 5.499741 164.7382 6.801437 165.2203 8.072052 165.7024 8.964005 166.1845 8.781189 166.6666 7.023422 167.1487 5.584702 167.6309 5.683701 168.1130 6.834991 168.5951 8.019455 169.0772 8.780853 169.5593 9.361954 170.0414 10.01056 170.5236 10.88545 171.0057 11.55859 171.4878 11.76605 171.9699 11.53723 172.4520 10.95804 172.9341 9.629166 173.4163 8.136505 173.8984 7.254105 174.3805 7.450836 174.8626 7.787094 175.3447 7.280762 175.8268 6.075775 176.3090 4.870300 176.7911 4.094254 177.2732 3.640594 177.7553 3.399170 178.2374 3.426193 178.7195 3.531281 179.2017 3.353165 179.6838 2.933670 180.1659 2.722290 180.6480 3.336914 181.1301 4.424408 181.6122 5.165268 182.0944 5.265091 182.5765 4.941727 183.0586 4.335419 183.5407 3.463943 184.0228 2.914413 184.5049 3.678665 184.9871 5.229309 185.4692 6.092270 185.9513 5.543610 186.4334 4.125000 186.9155 2.947052 187.3976 2.200378 187.8798 1.810608 188.3619 2.190079 188.8440 3.399750 189.3261 4.521988 189.8082 4.758179 190.2903 4.444611 190.7725 4.719620 191.2546 5.287125 191.7367 5.847931 192.2188 5.850677 192.7009 5.220428 193.1830 4.192093 193.6652 3.864914 194.1473 4.315781 194.6294 4.597748 195.1115 4.622620 195.5936 4.610855 196.0757 4.351196 196.5579 3.792419 197.0400 3.385193 197.5221 3.378723 198.0042 3.734283 198.4863 3.752136 198.9684 3.322922 199.4506 2.806976 199.9327 2.825562 200.4148 3.429520 200.8969 3.926117 201.3790 4.007004 201.8611 3.658157 202.3433 3.164444 202.8254 2.347534 203.3075 1.662552 203.7896 2.222076 204.2717 4.370300 204.7538 6.013931 205.2360 6.078033 205.7181 4.367432 206.2002 2.800674 206.6823 1.252396 207.1644 7.6750000E-03 207.6465 0.3053590 208.1287 0.6476440 208.6108 1.562225 209.0929 1.840317 209.5750 1.362106 210.0571 0.8804320 210.5392 0.3342740 211.0214 0.1544800 211.5035 0.2567140 211.9856 0.2040710 212.4677 0.5769650 212.9498 0.4819640 213.4319 0.2728580 213.9140 0.6408390 214.3962 0.4622500 214.8783 8.7740002E-03 215.3604 0.1732640 215.8425 6.4194001E-02 216.3246 0.3958130 216.8067 0.7412260 217.2889 1.190369 217.7710 1.302338 218.2531 0.8911130 218.7352 0.2318120 219.2173 4.2525999E-02 219.6994 0.5973360 220.1816 1.116577 220.6637 1.192886 221.1458 0.5570980 221.6279 0.2656560 222.1100 0.4104460 222.5921 0.8714750 223.0743 1.442917 223.5564 2.425125 224.0385 2.974380 224.5206 2.500824 225.0027 0.2540130 225.4848 0.9652250 225.9670 0.7111360 226.4491 0.4640810 226.9312 1.140671 227.4133 1.165375 227.8954 0.9318850 228.3775 0.5666500 228.8597 0.1090700 229.3418 0.4375460 229.8239 0.1486970 230.3060 0.4296260 230.7881 0.2900850 231.2702 1.113403 231.7524 1.193545 232.2345 1.211087 232.7166 1.882309 233.1987 1.453110 233.6808 1.820801 234.1629 2.659241 234.6451 3.085037 235.1272 2.867218 235.6093 2.584290 236.0914 2.530960 236.5735 2.972412 237.0556 3.014938 237.5378 2.384903 238.0199 1.442581 238.5020 1.135162 238.9841 1.815643 239.4662 2.608246 239.9483 3.163147 240.4305 3.446365 240.9126 3.540924 241.3947 3.315109 241.8768 2.938278 242.3589 2.869461 242.8410 3.378143 243.3232 3.774811 243.8053 3.671158 244.2874 2.565598 244.7695 2.210800 245.2516 2.935287 245.7337 4.275375 246.2159 5.184738 246.6980 5.442612 247.1801 5.619385 247.6622 5.965851 248.1443 6.631088 248.6264 7.029129 249.1086 6.996826 249.5907 6.782593 250.0728 6.933731 250.5549 7.707687 251.0370 8.414246 251.5191 8.783432 252.0013 8.727036 252.4834 8.579376 252.9655 8.210999 253.4476 7.826721 253.9297 7.826874 254.4118 8.329224 254.8940 8.994324 255.3761 9.771088 255.8582 10.77338 256.3403 11.40860 256.8224 11.52480 257.3046 11.39410 257.7867 11.43823 258.2688 11.63110 258.7509 12.07227 259.2330 12.96220 259.7151 14.52278 260.1973 15.16136 260.6794 14.39130 261.1615 13.16774 261.6436 12.96875 262.1257 14.19855 262.6078 15.45958 263.0900 16.28375 263.5721 16.61082 264.0542 17.21021 264.5363 18.31906 265.0184 19.40910 265.5005 19.72694 265.9827 19.00256 266.4648 18.43372 266.9469 18.43394 267.4290 19.01845 267.9111 19.29774 268.3932 19.06284 268.8754 18.82390 269.3575 19.29187 269.8396 20.75034 270.3217 21.99634 270.8038 22.71288 271.2859 22.90799 271.7681 23.01396 272.2502 23.04454 272.7323 23.08316 273.2144 23.14058 273.6965 23.18311 274.1786 23.37358 274.6608 23.85747 275.1429 24.53960 275.6250 24.65988 276.1071 24.04001 276.5892 23.52695 277.0714 24.07558 277.5535 25.81505 278.0356 26.90993 278.5177 26.87393 278.9998 26.05820 279.4819 25.68207 279.9641 25.76273 280.4462 26.03999 280.9283 26.48639 281.4104 27.09383 281.8925 27.15610 282.3746 26.48204 282.8568 25.47781 283.3389 24.84337 283.8210 24.57729 284.3031 24.41707 284.7852 24.16852 285.2673 23.88652 285.7495 23.86766 286.2316 24.23831 286.7137 24.78767 287.1958 25.02974 287.6779 24.95058 288.1600 24.62032 288.6422 24.02824 289.1243 23.24512 289.6064 22.64201 290.0885 22.27190 290.5706 22.01118 291.0527 21.62486 291.5349 21.13275 292.0170 20.74821 292.4991 20.64140 292.9812 20.74879 293.4633 20.94388 293.9454 21.30722 294.4276 21.45552 294.9097 20.49715 295.3918 18.68466 295.8739 17.38010 296.3560 17.83963 296.8381 19.23485 297.3203 19.44409 297.8024 18.32353 298.2845 16.95821 298.7666 16.57816 299.2487 16.91611 299.7308 17.13254 300.2130 16.79623 300.6951 16.16383 301.1772 15.53574 301.6593 14.91948 302.1414 14.53763 302.6235 14.85536 303.1057 15.54736 303.5878 15.93922 304.0699 15.73418 304.5520 15.18445 305.0341 14.35863 305.5162 13.32201 305.9984 12.60693 306.4805 13.10239 306.9626 14.03467 307.4447 14.22716 307.9268 12.77267 308.4089 11.26419 308.8911 11.46895 309.3732 12.96869 309.8553 14.03947 310.3374 13.19196 310.8195 11.64008 311.3016 10.54959 311.7838 10.22964 312.2659 10.31642 312.7480 11.03345 313.2301 12.02916 313.7122 12.45349 314.1943 11.07883 314.6765 9.503647 315.1586 8.948669 315.6407 9.879135 316.1228 10.88664 316.6049 11.48637 317.0870 11.70251 317.5692 11.56981 318.0513 10.41098 318.5334 9.471909 319.0155 9.622986 319.4976 11.14058 319.9797 12.15385 320.4619 11.53905 320.9440 10.25365 321.4261 9.381714 321.9082 9.876495 322.3903 10.16534 322.8724 9.497177 323.3546 7.834625 323.8367 6.799377 324.3188 7.286270 324.8009 8.211914 325.2830 8.729630 325.7651 8.571686 326.2473 8.112946 326.7294 7.141525 327.2115 5.793289 327.6936 4.968643 328.1757 5.055969 328.6578 5.471359 329.1400 5.945221 329.6221 6.891022 330.1042 7.211044 330.5863 6.430099 331.0684 5.043655 331.5505 4.525772 332.0327 5.790802 332.5148 6.835114 332.9969 6.720978 333.4790 4.700668 333.9611 3.707108 334.4432 4.195755 334.9254 5.375732 335.4075 5.983902 335.8896 5.881409 336.3717 5.727264 336.8538 5.632614 337.3359 5.498459 337.8180 5.439911 338.3001 5.439240 338.7823 5.610382 339.2644 6.148041 339.7465 7.189468 340.2286 7.889328 340.7107 8.021606 341.1928 7.691742 341.6750 7.442215 342.1571 7.275253 342.6392 7.068512 343.1213 6.684036 343.6034 6.126358 344.0855 5.701111 344.5677 5.419968 345.0498 5.325287 345.5319 5.669662 346.0140 6.464005 346.4961 7.134048 346.9782 7.345139 347.4604 7.152084 347.9425 6.659836 348.4246 5.771194 348.9067 4.903580 349.3888 4.908875 349.8709 5.593399 350.3531 5.914368 350.8352 4.797287 351.3173 3.083038 351.7994 2.511917 352.2815 3.210022 352.7636 4.258255 353.2458 5.052643 353.7279 5.549377 354.2100 5.641159 354.6921 4.802643 355.1742 3.868408 355.6563 3.971420 356.1385 4.996582 356.6206 5.758881 357.1027 4.910721 357.5848 3.539291 358.0669 2.983688 358.5490 4.119843 359.0312 5.368378 359.5133 5.706116 359.9954 5.336639 360.4775 4.905106 360.9596 4.652084 361.4417 4.486572 361.9239 4.330994 362.4060 4.138596 362.8881 4.057663 363.3702 4.300735 363.8523 4.660538 364.3344 4.819534 364.8166 4.386169 365.2987 4.006531 365.7808 4.093506 366.2629 4.779816 366.7450 4.943375 367.2271 3.727264 367.7093 2.250458 368.1914 1.496155 368.6735 2.411087 369.1556 3.103287 369.6377 3.281479 370.1198 2.994049 370.6020 2.580658 371.0841 1.630310 371.5662 0.9348140 372.0483 0.9638520 372.5304 2.234589 373.0125 3.272751 373.4947 4.090073 373.9768 4.633835 374.4589 4.761383 374.9410 4.369476 375.4231 3.763382 375.9052 2.951492 376.3874 1.852356 376.8695 1.200455 377.3516 1.059311 377.8337 1.250534 378.3158 1.674957 378.7979 2.403275 379.2801 2.840042 379.7622 2.790924 380.2443 2.330276 380.7264 1.716080 381.2085 0.9194490 381.6906 0.1845250 382.1728 0.3561100 382.6549 0.6869200 383.1370 0.6246640 383.6191 0.9450575 384.1012 0.7775880 384.5833 1.319473 385.0655 1.598907 385.5476 1.621445 386.0297 1.052185 386.5118 0.3142240 386.9939 0.3782200 387.4760 1.452103 387.9582 2.409409 388.4403 1.927307 388.9224 0.5530400 389.4045 0.5712740 389.8866 0.7750700 390.3687 0.6685030 390.8509 0.8102260 391.3330 1.172516 391.8151 1.355743 392.2972 0.6776120 392.7793 0.1011050 393.2614 0.1788330 393.7436 1.356415 394.2257 2.624237 394.7078 2.589615 395.1899 1.655090 395.6720 0.8761900 396.1541 0.7640690 396.6363 0.7377930 397.1184 0.4559020 397.6005 0.3085020 398.0826 0.7292790 398.5647 0.3845670 399.0468 0.2662510 399.5290 0.6661680 400.0111 0.5449520 400.4932 0.4212340 400.9753 0.4035030 401.4574 0.4907680 401.9395 0.4954070 402.4217 0.4294740 402.9038 0.2677610 403.3859 0.5426434 403.8680 0.5843350 404.3501 1.018433 404.8322 1.309799 405.3144 1.459808 405.7965 1.399307 406.2786 1.023178 406.7607 0.7819370 407.2428 1.017288 407.7249 1.761703 408.2071 1.938965 408.6892 1.407196 409.1713 0.6951450 409.6534 0.5284120 410.1355 0.8991240 410.6176 1.275909 411.0998 1.542999 411.5819 1.682571 412.0640 1.548752 412.5461 1.151474 413.0282 0.8705440 413.5103 1.128525 413.9925 1.714478 414.4746 2.183014 414.9567 2.446808 415.4388 2.592224 415.9209 2.598770 416.4030 2.581436 416.8852 2.781860 417.3673 3.569931 417.8494 4.463684 418.3315 5.118256 418.8136 5.501923 419.2957 5.597885 419.7779 4.990295 420.2600 4.250031 420.7421 3.963531 421.2242 4.879089 421.7063 5.714584 422.1884 5.854660 422.6706 5.504395 423.1527 5.490433 423.6348 6.405151 424.1169 7.388504 424.5990 8.022934 425.0811 8.111862 425.5633 8.207062 426.0454 8.148849 426.5275 8.230576 427.0096 8.829712 427.4917 10.52945 427.9738 11.82660 428.4560 12.31010 428.9381 11.99878 429.4202 11.78822 429.9023 11.66528 430.3844 11.77452 430.8665 12.28984 431.3487 13.33244 431.8308 13.90689 432.3129 13.77188 432.7950 13.32173 433.2771 13.43642 433.7592 14.13106 434.2414 14.75548 434.7235 14.98242 435.2056 14.90508 435.6877 14.77007 436.1698 14.55780 436.6519 14.56810 437.1341 15.24622 437.6162 16.36667 438.0983 17.37376 438.5804 18.08003 439.0625 18.64487 439.5446 19.34590 440.0268 20.08940 440.5089 20.55899 440.9910 20.19994 441.4731 19.77019 441.9552 19.99422 442.4373 21.03760 442.9195 22.11256 443.4016 22.86874 443.8837 23.39444 444.3658 23.80399 444.8479 23.87878 445.3300 24.19519 445.8122 25.16357 446.2943 26.63307 446.7764 27.55774 447.2585 26.94814 447.7406 26.41122 448.2227 26.84142 448.7049 29.20250 449.1870 30.59093 449.6691 30.56509 450.1512 29.84779 450.6333 29.42265 451.1154 29.13483 451.5976 29.24977 452.0797 30.02299 452.5618 31.47299 453.0439 32.68501 453.5260 33.60057 454.0081 34.28487 454.4903 34.72697 454.9724 34.94109 455.4545 35.36546 455.9366 36.12474 456.4187 36.82387 456.9008 36.63927 457.3830 35.69226 457.8651 34.85277 458.3472 34.67989 458.8293 34.81746 459.3114 34.72797 459.7935 34.40631 460.2757 33.70744 460.7578 32.01830 461.2399 30.04221 461.7220 28.85645 462.2041 29.25732 462.6862 29.54430 463.1684 28.43060 463.6505 26.35612 464.1326 24.35849 464.6147 22.91653 465.0968 21.59392 465.5789 20.14114 466.0611 18.49176 466.5432 17.06204 467.0253 16.09438 467.5074 15.29778 467.9895 14.44588 468.4716 13.83633 468.9538 12.71098 469.4359 10.58406 469.9180 7.928131 470.4001 6.334671 470.8822 6.383408 471.3643 6.492645 471.8465 6.028656 472.3286 4.943237 472.8107 3.776031 473.2928 2.487396 473.7749 1.251236 474.2570 0.1910400 474.7392 0.6903080 475.2213 1.063080 475.7034 0.7122500 476.1855 1.029279 476.6676 0.5486450 477.1497 0.8711700 477.6319 0.7767330 478.1140 0.3509670 478.5961 1.820984 479.0782 2.340393 479.5603 1.768707 480.0424 1.069275 480.5246 1.136505 481.0067 1.538071 481.4888 1.648865 481.9709 0.9453430 482.4530 0.2749940 482.9352 0.1071010 483.4173 0.3312840 483.8994 0.5989070 484.3815 0.7861480 484.8636 0.9967960 485.3457 1.386551 485.8279 2.157852 486.3100 2.375092 486.7921 1.385529 487.2742 0.1218110 487.7563 0.5873260 488.2384 0.2895810 488.7206 0.2327880 489.2027 0.6694490 489.6848 1.429825 490.1669 1.865341 490.6490 1.859711 491.1311 1.870056 491.6133 2.008530 492.0954 2.281326 492.5775 3.210571 493.0596 4.920334 493.5417 6.745926 494.0238 7.957230 494.5060 8.650635 494.9881 9.190964 495.4702 9.531967 495.9523 9.967361 496.4344 11.11929 496.9165 12.78416 497.3987 14.19275 497.8808 14.43987 498.3629 14.52661 498.8450 15.45976 499.3271 17.34666 499.8092 19.47438 500.2914 21.74985 500.7735 23.95088 501.2556 25.92877 501.7377 27.36049 502.2198 28.86958 502.7019 30.64449 503.1841 32.60342 503.6662 34.53529 504.1483 36.27496 504.6304 38.18726 505.1125 40.40128 505.5946 42.94630 506.0768 45.41431 506.5589 47.68378 507.0410 50.03838 507.5231 52.68927 508.0052 55.62677 508.4873 58.87840 508.9695 62.41084 509.4516 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536.4501 395.5081 536.9323 393.6073 537.4144 391.1824 537.8965 388.3397 538.3786 385.0531 538.8607 381.3391 539.3428 377.4782 539.8250 373.5250 540.3071 368.5503 540.7892 362.1888 541.2713 354.7621 541.7534 347.0135 542.2355 338.9934 542.7177 331.2232 543.1998 324.2614 543.6819 317.5550 544.1640 310.4405 544.6461 302.9103 545.1282 294.8018 545.6104 285.1882 546.0925 275.3112 546.5746 266.6107 547.0567 260.3325 547.5388 254.0948 548.0209 247.1846 548.5031 239.8182 548.9852 232.3224 549.4673 224.2646 549.9494 216.6011 550.4315 209.7149 550.9136 203.6133 551.3958 197.2400 551.8779 190.3188 552.3600 183.5361 552.8421 177.3114 553.3242 171.7036 553.8063 165.8712 554.2885 159.6900 554.7706 153.6534 555.2527 148.4802 555.7348 144.0723 556.2169 139.7673 556.6990 135.2619 557.1812 130.9724 557.6633 127.8582 558.1454 125.5984 558.6275 122.9737 559.1096 119.0051 559.5917 114.6151 560.0739 110.5151 560.5560 106.7554 561.0381 103.2669 561.5202 100.1933 562.0023 97.34372 562.4844 94.57346 562.9666 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