#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:36:22 +0300 (Thu, 26 Apr 2018) $ #$Revision: 498 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000052.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_1000052 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 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 R060303.rod _rod_data_source.block 3500000 _rod_database.code 1000052 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 149.8693 0.0000000E+00 150.3514 1.5228000E-02 150.8336 6.1188001E-02 151.3157 0.3573460 151.7978 0.4404450 152.2799 0.2999570 152.7620 0.3250430 153.2441 1.083511 153.7263 2.171707 154.2084 2.937119 154.6905 2.917938 155.1726 2.428665 155.6547 2.232056 156.1368 2.487259 156.6190 2.698853 157.1011 2.630997 157.5832 2.374954 158.0653 2.073929 158.5474 1.843185 159.0295 1.753784 159.5117 1.721817 159.9938 1.706573 160.4759 1.822556 160.9580 1.848816 161.4401 1.853073 161.9222 2.021240 162.4044 2.382706 162.8865 2.951683 163.3686 3.304916 163.8507 3.255493 164.3328 3.263504 164.8149 3.496315 165.2971 3.851677 165.7792 4.175987 166.2613 4.427940 166.7434 4.675781 167.2255 4.577950 167.7076 3.765549 168.1898 2.859879 168.6719 2.503670 169.1540 2.828018 169.6361 3.277512 170.1182 3.174019 170.6003 1.971092 171.0825 1.394264 171.5646 2.292107 172.0467 3.656906 172.5288 4.407646 173.0109 4.542297 173.4930 4.263542 173.9752 3.968636 174.4573 3.776352 174.9394 3.850853 175.4215 4.023102 175.9036 4.036667 176.3857 4.054337 176.8679 4.247177 177.3500 4.393700 177.8321 4.247536 178.3142 3.676987 178.7963 2.989578 179.2784 2.494461 179.7606 2.261871 180.2427 2.283752 180.7248 2.753540 181.2069 3.291962 181.6890 3.440086 182.1711 3.191948 182.6533 2.868584 183.1354 2.718513 183.6175 2.758530 184.0996 2.840446 184.5817 2.914917 185.0638 3.040131 185.5460 3.362160 186.0281 3.891502 186.5102 4.316116 186.9923 4.113678 187.4744 2.911766 187.9565 2.026672 188.4387 1.838684 188.9208 1.836533 189.4029 1.649635 189.8850 1.169792 190.3671 0.6130600 190.8492 0.4047240 191.3314 0.8269120 191.8135 1.166878 192.2956 1.387238 192.7777 1.514351 193.2598 1.619415 193.7419 1.723358 194.2241 1.719376 194.7062 1.350166 195.1883 8.5600000E-03 195.6704 1.026253 196.1525 1.641251 196.6346 1.908165 197.1168 1.796181 197.5989 1.274269 198.0810 0.5415950 198.5631 0.1875610 199.0452 0.5245290 199.5273 0.7983170 200.0095 0.9464800 200.4916 0.9478380 200.9737 0.7134700 201.4558 0.1505890 201.9379 0.5647810 202.4200 0.9157870 202.9022 0.8066020 203.3843 0.6079790 203.8664 0.4267810 204.3485 0.2515640 204.8306 3.3920001E-02 205.3127 0.2915190 205.7949 0.6158290 206.2770 0.7087550 206.7591 0.5080410 207.2412 0.2445220 207.7233 0.2946470 208.2054 0.8245390 208.6876 1.107185 209.1697 0.8980790 209.6518 0.4871670 210.1339 0.3316420 210.6160 0.5177310 211.0981 0.7647780 211.5803 0.7244490 212.0624 0.3948520 212.5445 0.4325790 213.0266 1.514679 213.5087 2.803909 213.9908 3.480431 214.4730 3.364166 214.9551 2.969551 215.4372 2.841522 215.9193 3.016602 216.4014 3.214272 216.8836 3.166039 217.3657 3.226097 217.8478 3.750664 218.3299 4.833351 218.8120 6.044846 219.2941 6.783699 219.7763 6.930191 220.2584 6.986023 220.7405 6.953140 221.2226 6.920258 221.7047 6.989044 222.1868 7.179169 222.6690 7.358177 223.1511 7.268326 223.6332 6.680298 224.1153 6.354515 224.5974 6.451576 225.0795 6.731926 225.5617 7.030792 226.0438 7.301277 226.5259 7.600960 227.0080 8.062859 227.4901 8.938477 227.9722 9.493851 228.4544 9.524002 228.9365 9.378952 229.4186 9.331444 229.9007 9.455727 230.3828 9.656288 230.8649 9.755951 231.3471 9.548759 231.8292 9.585968 232.3113 10.19600 232.7934 10.84057 233.2755 10.96025 233.7576 10.43867 234.2398 9.738739 234.7219 9.650383 235.2040 10.73806 235.6861 11.44893 236.1682 11.51849 236.6503 11.35908 237.1325 11.34127 237.6146 11.56478 238.0967 11.88283 238.5788 12.08093 239.0609 12.10279 239.5430 12.10810 240.0252 12.04205 240.5073 11.98521 240.9894 12.05552 241.4715 12.28120 241.9536 12.52067 242.4357 12.52632 242.9179 12.17281 243.4000 12.18078 243.8821 13.03865 244.3642 14.09845 244.8463 14.62160 245.3284 14.44231 245.8106 13.95004 246.2927 13.49855 246.7748 13.07632 247.2569 12.94632 247.7390 13.35632 248.2211 13.97918 248.7033 14.46537 249.1854 14.78382 249.6675 14.95711 250.1496 14.97164 250.6317 14.84306 251.1138 14.65158 251.5960 14.09054 252.0781 13.60735 252.5602 13.99476 253.0423 15.45356 253.5244 16.79368 254.0065 16.80531 254.4887 15.90636 254.9708 15.14531 255.4529 14.82965 255.9350 14.82129 256.4171 14.93463 256.8992 15.14745 257.3813 15.32336 257.8635 15.28004 258.3456 15.15359 258.8277 15.19070 259.3098 15.59718 259.7919 16.13997 260.2740 16.48848 260.7562 16.61726 261.2383 16.62457 261.7204 16.41046 262.2025 16.14417 262.6846 16.03230 263.1667 16.10730 263.6489 16.36189 264.1310 16.93638 264.6131 17.99306 265.0952 18.76349 265.5773 18.62006 266.0594 18.10719 266.5416 17.68093 267.0237 17.43320 267.5058 17.37164 267.9879 17.58693 268.4700 18.16570 268.9521 18.64692 269.4343 18.84896 269.9164 18.89193 270.3985 18.79123 270.8806 18.53994 271.3627 18.34812 271.8448 18.54499 272.3270 19.22822 272.8091 19.75672 273.2912 19.91132 273.7733 19.89888 274.2554 19.79169 274.7375 19.60862 275.2197 19.42420 275.7018 19.39737 276.1839 19.60384 276.6660 19.50758 277.1481 18.49392 277.6302 17.54211 278.1124 17.20691 278.5945 17.49022 279.0766 17.98000 279.5587 18.35239 280.0408 18.62573 280.5229 18.63262 281.0051 17.84915 281.4872 17.23167 281.9693 17.38500 282.4514 18.13153 282.9335 18.79741 283.4156 18.76564 283.8978 18.01879 284.3799 17.33253 284.8620 16.69409 285.3441 16.14364 285.8262 15.68005 286.3083 15.30989 286.7905 15.05519 287.2726 14.95803 287.7547 14.99813 288.2368 14.97393 288.7189 14.80336 289.2010 14.66301 289.6832 14.69099 290.1653 14.76342 290.6474 14.67391 291.1295 14.28282 291.6116 13.68147 292.0938 13.24387 292.5759 13.06396 293.0580 12.93573 293.5401 12.84081 294.0222 12.76164 294.5043 12.70806 294.9865 12.68824 295.4686 12.63768 295.9507 12.35019 296.4328 11.46775 296.9149 11.00984 297.3970 11.52228 297.8792 12.21694 298.3613 12.37083 298.8434 11.78201 299.3255 10.81375 299.8076 10.07438 300.2897 9.576962 300.7719 9.330589 301.2540 9.535675 301.7361 9.799938 302.2182 9.901539 302.7003 9.792580 303.1824 9.532166 303.6646 9.140934 304.1467 8.522388 304.6288 8.141998 305.1109 8.206837 305.5930 8.307907 306.0751 8.276356 306.5573 8.100353 307.0394 7.846172 307.5215 7.564472 308.0036 7.253475 308.4857 6.958065 308.9678 6.511341 309.4500 6.247856 309.9321 6.501076 310.4142 7.019299 310.8963 7.269753 311.3784 6.828732 311.8605 5.796089 312.3427 5.128269 312.8248 4.971287 313.3069 5.084522 313.7890 5.738266 314.2711 6.537060 314.7532 6.980675 315.2354 6.813107 315.7175 6.195854 316.1996 5.571911 316.6817 4.745575 317.1638 4.274105 317.6459 4.490395 318.1281 4.852375 318.6102 4.832214 319.0923 4.292133 319.5744 3.622784 320.0565 3.533112 320.5386 4.443729 321.0208 5.000282 321.5029 4.877045 321.9850 4.631138 322.4671 4.663548 322.9492 4.966297 323.4313 5.186378 323.9135 4.920544 324.3956 4.035751 324.8777 3.467945 325.3598 3.475616 325.8419 3.564304 326.3240 3.530117 326.8062 3.361500 327.2883 3.157578 327.7704 3.073055 328.2525 3.108982 328.7346 2.840057 329.2167 1.704269 329.6989 0.9253080 330.1810 1.020107 330.6631 1.573051 331.1452 1.978966 331.6273 1.896885 332.1094 1.548714 332.5916 1.614998 333.0737 2.492126 333.5558 2.965702 334.0379 2.563858 334.5200 1.918209 335.0021 1.628143 335.4843 1.861610 335.9664 2.303566 336.4485 2.492874 336.9306 2.369400 337.4127 2.236832 337.8948 1.870850 338.3770 1.661469 338.8591 2.040577 339.3412 2.944729 339.8233 3.773102 340.3055 3.797874 340.7876 2.901516 341.2697 2.313675 341.7518 2.331612 342.2339 2.393795 342.7160 2.259220 343.1982 2.001366 343.6803 1.826405 344.1624 1.836880 344.6445 1.960213 345.1266 2.020519 345.6087 1.987667 346.0909 1.937222 346.5730 1.887806 347.0551 1.840794 347.5372 1.800903 348.0193 1.771088 348.5014 1.742180 348.9836 1.716564 349.4657 1.717476 349.9478 1.620724 350.4299 1.305737 350.9120 0.9370310 351.3941 0.6000250 351.8763 0.3151930 352.3584 0.1310620 352.8405 9.4375998E-02 353.3226 0.2051320 353.8047 0.4820330 354.2868 1.257023 354.7690 1.842201 355.2511 1.526703 355.7332 0.5520860 356.2153 4.9598999E-02 356.6974 0.8494450 357.1795 2.735676 357.6617 3.479889 358.1438 2.573147 358.6259 1.519634 359.1080 1.195305 359.5901 1.290352 360.0722 1.323868 360.5544 1.103981 361.0365 0.7738880 361.5186 0.5024340 362.0007 0.2856640 362.4828 0.1694790 362.9649 0.1324080 363.4471 0.2431070 363.9292 0.6727980 364.4113 1.543854 364.8934 2.259930 365.3755 2.268940 365.8576 1.683228 366.3398 1.107094 366.8219 0.6416240 367.3040 0.2797850 367.7861 2.3552001E-02 368.2682 0.2668690 368.7503 0.3439560 369.2325 9.0678997E-02 369.7146 0.3204380 370.1967 0.6082310 370.6788 0.7480390 371.1609 0.7682110 371.6430 0.6266780 372.1252 0.3745990 372.6073 0.1882590 373.0894 0.1436230 373.5715 0.1301990 374.0536 7.0529999E-03 374.5357 0.2255170 375.0179 0.2286950 375.5000 0.2350770 375.9821 0.9035340 376.4642 1.151497 376.9463 0.8682290 377.4284 0.4929810 377.9106 9.8297000E-02 378.3927 0.2641790 378.8748 0.5164640 379.3569 0.6412390 379.8390 0.6193890 380.3211 0.3472290 380.8033 0.2674370 381.2854 0.5516590 381.7675 0.2449610 382.2496 0.2572900 382.7317 0.7813800 383.2138 1.255394 383.6960 1.438972 384.1781 1.091473 384.6602 0.2636490 385.1423 0.2955860 385.6244 0.5515290 386.1065 0.6390720 386.5887 0.4369960 387.0708 0.1187630 387.5529 3.4439001E-02 388.0350 0.3538510 388.5171 0.8288500 388.9992 0.8991550 389.4814 5.8479000E-02 389.9635 0.4203030 390.4456 0.2043760 390.9277 0.1531220 391.4098 0.1608620 391.8919 0.2239840 392.3741 0.6718790 392.8562 0.8235400 393.3383 0.6223220 393.8204 0.5419960 394.3025 0.7525370 394.7846 0.9025340 395.2668 0.8382230 395.7489 0.6295050 396.2310 0.4263040 396.7131 0.3190540 397.1952 0.2530440 397.6773 2.7659999E-02 398.1595 0.5473860 398.6416 0.9506490 399.1237 1.161228 399.6058 1.175060 400.0879 0.8460690 400.5700 0.1945610 401.0522 0.3818470 401.5343 0.2898330 402.0164 0.6359900 402.4985 1.246658 402.9806 1.225632 403.4627 1.129364 403.9449 1.253937 404.4270 1.503174 404.9091 1.584911 405.3912 1.236481 405.8733 0.6301040 406.3554 0.3167340 406.8376 0.3754690 407.3197 0.5294340 407.8018 0.6746860 408.2839 0.8517680 408.7660 1.153236 409.2481 1.640816 409.7303 2.051781 410.2124 2.035465 410.6945 1.628124 411.1766 1.378624 411.6587 1.448929 412.1408 1.662598 412.6230 1.824253 413.1051 1.946651 413.5872 2.162949 414.0693 2.703709 414.5514 3.324600 415.0335 3.510685 415.5157 3.186985 415.9978 2.877850 416.4799 2.895817 416.9620 3.214939 417.4441 3.678997 417.9262 4.440090 418.4084 5.127254 418.8905 5.567028 419.3726 5.766346 419.8547 5.695076 420.3368 5.302837 420.8189 4.812122 421.3011 4.557373 421.7832 4.536110 422.2653 4.667709 422.7474 5.059860 423.2295 5.535381 423.7116 5.980328 424.1938 6.370384 424.6759 6.690495 425.1580 6.924767 425.6401 7.072689 426.1222 7.168663 426.6043 7.180939 427.0865 7.219723 427.5686 7.275188 428.0507 7.373215 428.5328 7.600826 429.0149 7.987133 429.4970 8.394329 429.9792 8.570118 430.4613 8.383984 430.9434 8.245857 431.4255 8.221241 431.9076 8.174015 432.3897 7.871700 432.8719 7.456833 433.3540 7.396980 433.8361 8.134441 434.3182 9.481796 434.8003 10.10881 435.2824 9.499290 435.7646 8.914379 436.2467 8.601269 436.7288 8.493649 437.2109 8.572365 437.6930 8.840748 438.1751 9.159828 438.6573 9.354877 439.1394 9.390236 439.6215 9.372204 440.1036 9.262604 440.5857 9.115990 441.0678 8.888252 441.5500 8.655479 442.0321 8.657715 442.5142 9.182716 442.9963 9.957592 443.4784 10.53887 443.9605 10.92190 444.4427 11.06721 444.9248 10.71760 445.4069 10.23354 445.8890 10.32622 446.3711 11.30584 446.8532 12.03920 447.3354 11.55172 447.8175 10.37654 448.2996 9.762909 448.7817 10.01707 449.2638 10.64991 449.7459 11.24974 450.2281 11.81199 450.7102 12.02228 451.1923 11.48842 451.6744 10.97057 452.1565 11.12221 452.6386 11.70792 453.1208 11.90614 453.6029 11.23677 454.0850 10.09603 454.5671 9.580948 455.0492 10.38621 455.5313 10.89581 456.0135 10.98823 456.4956 10.84256 456.9777 10.58146 457.4598 10.24324 457.9419 9.838139 458.4240 9.344242 458.9062 8.738377 459.3883 8.265514 459.8704 8.009838 460.3525 7.832573 460.8346 7.832172 461.3167 7.853207 461.7989 7.688835 462.2810 7.257561 462.7631 6.692062 463.2452 6.189987 463.7273 5.762913 464.2094 5.326481 464.6916 4.892910 465.1737 4.433678 465.6558 3.855152 466.1379 3.218987 466.6200 2.735519 467.1021 2.646614 467.5843 2.727745 468.0664 2.495247 468.5485 1.904358 469.0306 1.308334 469.5127 0.7839850 469.9948 0.4044880 470.4770 0.3061290 470.9591 0.5747380 471.4412 0.8181420 471.9233 0.8505060 472.4054 0.7234920 472.8875 0.5017660 473.3697 0.1912190 473.8518 0.1286200 474.3339 0.4018670 474.8160 0.6212040 475.2981 0.7490230 475.7802 0.7578090 476.2624 0.7075120 476.7445 0.5142290 477.2266 0.2983470 477.7087 0.3509450 478.1908 0.7937620 478.6729 1.336334 479.1551 1.445263 479.6372 0.9127690 480.1193 0.4108310 480.6014 0.2442510 481.0835 0.7134970 481.5656 0.6976090 482.0478 0.3221890 482.5299 7.5370997E-02 483.0120 0.2897910 483.4941 0.3263970 483.9762 0.1760860 484.4583 0.2745250 484.9405 0.6833530 485.4226 0.9801830 485.9047 1.217491 486.3868 1.414585 486.8689 1.581429 487.3510 1.749676 487.8332 1.921772 488.3153 2.110626 488.7974 2.408710 489.2795 2.871323 489.7616 3.313393 490.2437 3.542667 490.7259 3.696907 491.2080 4.007668 491.6901 4.575047 492.1722 5.181530 492.6543 5.739044 493.1364 6.212757 493.6186 6.429817 494.1007 6.287128 494.5828 6.148640 495.0649 6.468201 495.5470 7.300770 496.0291 8.025829 496.5113 8.531513 496.9934 9.014046 497.4755 9.604366 497.9576 10.26488 498.4397 10.79557 498.9218 11.07014 499.4040 11.41537 499.8861 12.63710 500.3682 15.79335 500.8503 17.83517 501.3324 18.03672 501.8145 17.88841 502.2967 18.19540 502.7788 18.98508 503.2609 19.93208 503.7430 20.78373 504.2251 21.65604 504.7072 23.07101 505.1894 25.38976 505.6715 27.43510 506.1536 28.65443 506.6357 29.65879 507.1178 30.89039 507.5999 32.40782 508.0821 34.02987 508.5642 35.55898 509.0463 37.08767 509.5284 38.96435 510.0105 41.27893 510.4926 43.60769 510.9748 45.56987 511.4569 47.38725 511.9390 49.63210 512.4211 52.69016 512.9032 55.49282 513.3853 57.11312 513.8674 58.22911 514.3495 60.04296 514.8317 62.83822 515.3138 65.98869 515.7959 68.88039 516.2780 71.49989 516.7601 74.19014 517.2422 77.01031 517.7244 79.83517 518.2065 82.63319 518.6886 85.40800 519.1707 88.11990 519.6528 90.76159 520.1349 93.48786 520.6171 96.60535 521.0992 100.3295 521.5813 103.5698 522.0634 106.0851 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