#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:33:15 +0300 (Thu, 24 May 2018) $ #$Revision: 886 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000365.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_1000365 loop_ _publ_author_name 'Novak, G. A.' 'Gibbs, G. V.' _publ_section_title ; The crystal chemistry of the silicate garnets sample An ; _journal_name_full 'American Mineralogist' _journal_page_first 791 _journal_page_last 823 _journal_volume 56 _journal_year 1971 _chemical_compound_source R050377 _chemical_formula_sum 'Ca3 Fe2 O12 Si3' _chemical_name_mineral Andradite _space_group_IT_number 230 _symmetry_space_group_name_Hall '-I 4bd 2c 3' _symmetry_space_group_name_H-M 'I a -3 d' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 12.058 _cell_length_b 12.058 _cell_length_c 12.058 _cell_volume 1753.177 _exptl_crystal_density_diffrn 3.851 _cod_original_formula_sum 'Si3 Fe2 Ca3 O12' _cod_database_code 9000239 _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 R050377.rod _rod_data_source.block 3500000 _rod_database.code 1000365 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 9000239 COD http://www.crystallography.net/cod/9000239.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 147.9668 0.0000000E+00 148.4490 2.2232000E-02 148.9311 3.7080001E-03 149.4132 6.0775999E-02 149.8953 0.1712650 150.3774 0.2562260 150.8595 0.4270630 151.3417 0.5706330 151.8238 0.8404540 152.3059 1.412354 152.7880 2.331497 153.2701 3.442657 153.7522 4.346191 154.2344 4.868347 154.7165 5.341537 155.1986 5.703613 155.6807 6.023392 156.1628 6.367493 156.6449 6.761597 157.1271 7.231430 157.6092 7.890991 158.0913 8.844330 158.5734 9.858749 159.0555 10.90028 159.5376 11.93912 160.0198 12.96977 160.5019 13.94717 160.9840 14.95294 161.4661 16.17470 161.9482 17.65964 162.4303 19.24675 162.9125 20.91635 163.3946 22.65057 163.8767 24.21429 164.3588 25.24574 164.8409 26.09351 165.3230 27.38028 165.8052 29.30392 166.2873 31.76691 166.7694 34.44899 167.2515 37.41202 167.7336 40.24014 168.2157 42.51848 168.6979 44.37874 169.1800 46.08798 169.6621 47.87361 170.1442 49.11267 170.6263 49.52362 171.1084 49.36041 171.5906 48.76044 172.0727 47.15636 172.5548 45.01949 173.0369 42.93207 173.5190 40.98938 174.0011 38.93378 174.4833 37.09230 174.9654 36.16096 175.4475 35.06456 175.9296 33.06209 176.4117 30.52458 176.8938 28.05814 177.3760 25.95009 177.8581 24.15518 178.3402 22.32805 178.8223 20.30865 179.3044 18.52193 179.7865 17.24806 180.2687 16.37500 180.7508 15.55418 181.2329 14.47432 181.7150 13.09541 182.1971 12.00381 182.6792 11.49049 183.1614 10.98305 183.6435 10.04184 184.1256 8.695374 184.6077 7.426926 185.0898 6.719040 185.5719 6.617188 186.0541 6.292206 186.5362 5.486877 187.0183 4.588699 187.5004 3.982346 187.9825 3.717850 188.4646 3.532288 188.9468 3.225189 189.4289 2.806519 189.9110 2.293884 190.3931 1.455673 190.8752 0.5955200 191.3573 0.2568820 191.8395 0.6246800 192.3216 1.108322 192.8037 1.341888 193.2858 1.354630 193.7679 1.161469 194.2500 0.5885160 194.7322 0.2052920 195.2143 0.6676180 195.6964 0.5634770 196.1785 0.4705510 196.6606 0.7355800 197.1427 1.248856 197.6249 1.779541 198.1070 2.236450 198.5891 2.607864 199.0712 2.743851 199.5533 2.407944 200.0354 2.081131 200.5176 1.943344 200.9997 1.964432 201.4818 2.070023 201.9639 2.259445 202.4460 2.543518 202.9281 2.533066 203.4103 1.803436 203.8924 1.151962 204.3745 0.8489530 204.8566 0.8323060 205.3387 0.9185640 205.8208 0.7781980 206.3030 0.6078340 206.7851 0.2896880 207.2672 0.1735690 207.7493 0.7655180 208.2314 1.571594 208.7135 2.523117 209.1957 3.421219 209.6778 4.060776 210.1599 4.373779 210.6420 4.961899 211.1241 6.030350 211.6062 7.130386 212.0884 7.989441 212.5705 8.628296 213.0526 9.289246 213.5347 10.20932 214.0168 11.42914 214.4989 12.51796 214.9811 13.40863 215.4632 14.23895 215.9453 15.08965 216.4274 15.97789 216.9095 16.88898 217.3916 17.79243 217.8737 18.68060 218.3559 19.58264 218.8380 20.51903 219.3201 21.47739 219.8022 22.48247 220.2843 23.53915 220.7664 24.54877 221.2486 25.38260 221.7307 26.10136 222.2128 26.89340 222.6949 27.87317 223.1770 28.86366 223.6591 29.63811 224.1413 30.16017 224.6234 30.71077 225.1055 31.44302 225.5876 32.34636 226.0697 33.45706 226.5518 35.02670 227.0340 36.67615 227.5161 37.76007 227.9982 38.12134 228.4803 38.46497 228.9624 39.36139 229.4445 40.44911 229.9267 41.25513 230.4088 41.52307 230.8909 41.47176 231.3730 41.58250 231.8551 42.06955 232.3372 42.15729 232.8194 41.53073 233.3015 40.37347 233.7836 38.83246 234.2657 36.92677 234.7478 34.74020 235.2299 32.44450 235.7121 29.99010 236.1942 27.50583 236.6763 25.06482 237.1584 22.60815 237.6405 19.96123 238.1227 16.97928 238.6048 13.98911 239.0869 11.88689 239.5690 11.21030 240.0511 10.51227 240.5332 9.494080 241.0154 8.332413 241.4975 7.142517 241.9796 5.961502 242.4617 4.881729 242.9438 4.188644 243.4259 4.228104 243.9081 4.158798 244.3902 3.695480 244.8723 3.156693 245.3544 2.912628 245.8365 3.109390 246.3186 3.518005 246.8008 3.592270 247.2829 2.879974 247.7650 2.469894 248.2471 2.570480 248.7292 2.855377 249.2113 3.048920 249.6935 3.089874 250.1756 3.099976 250.6577 3.290634 251.1398 3.608368 251.6219 4.183075 252.1040 5.181213 252.5862 6.276886 253.0683 7.205261 253.5504 7.916626 254.0325 8.546539 254.5146 9.296051 254.9967 10.26003 255.4789 11.11774 255.9610 11.67798 256.4431 12.24780 256.9252 13.14177 257.4073 14.45219 257.8894 15.98582 258.3716 17.50568 258.8537 19.06065 259.3358 20.36914 259.8179 21.33018 260.3000 22.10143 260.7821 22.90448 261.2643 23.80370 261.7464 24.55740 262.2285 24.91847 262.7106 24.81235 263.1927 24.27287 263.6748 22.91029 264.1570 21.37318 264.6391 20.34247 265.1212 19.86165 265.6033 19.25975 266.0854 17.82466 266.5675 15.49609 267.0497 13.44850 267.5318 11.70766 268.0139 10.26216 268.4960 9.298950 268.9781 8.785904 269.4602 8.106232 269.9424 6.692596 270.4245 4.655228 270.9066 2.952057 271.3887 1.640518 271.8708 0.6411130 272.3529 4.9988002E-02 272.8351 0.1755680 273.3172 0.5136570 273.7993 1.397293 274.2814 2.566299 274.7635 3.215347 275.2456 3.051483 275.7278 2.672180 276.2099 2.421066 276.6920 2.295090 277.1741 2.283478 277.6562 2.432419 278.1383 2.668304 278.6205 2.898758 279.1026 3.289673 279.5847 3.320908 280.0668 2.337769 280.5489 0.5391240 281.0310 0.8259120 281.5132 1.131866 281.9953 0.9727630 282.4774 1.188904 282.9595 1.801636 283.4416 2.631943 283.9237 3.622086 284.4059 4.751465 284.8880 5.968750 285.3701 7.313812 285.8522 8.661667 286.3343 9.703690 286.8164 10.46390 287.2986 11.68771 287.7807 14.13287 288.2628 17.40541 288.7449 20.16074 289.2270 22.06699 289.7091 23.70631 290.1913 25.58673 290.6734 27.63605 291.1555 29.64859 291.6376 31.50134 292.1197 33.23755 292.6018 34.97362 293.0840 36.67972 293.5661 38.44547 294.0482 40.43918 294.5303 42.52031 295.0124 44.44662 295.4945 46.04297 295.9767 47.45523 296.4588 48.95036 296.9409 50.56441 297.4230 52.14339 297.9051 53.55637 298.3872 54.91806 298.8694 56.35077 299.3515 57.85794 299.8336 59.50595 300.3157 61.49869 300.7978 63.93901 301.2799 66.16873 301.7621 67.86023 302.2442 69.25668 302.7263 70.45416 303.2084 71.41235 303.6905 72.52139 304.1726 74.41972 304.6548 77.15694 305.1369 79.36102 305.6190 80.36513 306.1011 80.96895 306.5832 81.70752 307.0653 82.62628 307.5475 83.68777 308.0296 85.09833 308.5117 86.78238 308.9938 87.78384 309.4759 87.57861 309.9580 87.10017 310.4402 87.16109 310.9223 87.57442 311.4044 87.59464 311.8865 86.53845 312.3686 84.65155 312.8507 82.98013 313.3329 81.57402 313.8150 80.33533 314.2971 79.23175 314.7792 78.22165 315.2613 77.21844 315.7434 76.14175 316.2256 75.06625 316.7077 74.10477 317.1898 73.16913 317.6719 72.57809 318.1540 72.90302 318.6361 73.47044 319.1183 73.49115 319.6004 72.62648 320.0825 71.43661 320.5646 70.57532 321.0467 70.02695 321.5288 69.90987 322.0110 70.46927 322.4931 71.38095 322.9752 72.46828 323.4573 73.70544 323.9394 74.98929 324.4215 76.18315 324.9037 77.28610 325.3858 78.52505 325.8679 79.71341 326.3500 81.32901 326.8321 83.76233 327.3142 86.93733 327.7964 90.34064 328.2785 93.75519 328.7606 97.14606 329.2427 100.2614 329.7248 102.6701 330.2069 105.5460 330.6891 109.8216 331.1712 115.0192 331.6533 120.1485 332.1354 124.5432 332.6175 128.7005 333.0996 133.6698 333.5818 139.6393 334.0639 145.9090 334.5460 152.0341 335.0281 158.2786 335.5102 164.9368 335.9923 172.1148 336.4745 179.7462 336.9566 187.9517 337.4387 196.7397 337.9208 205.5435 338.4029 213.9866 338.8850 222.5197 339.3671 231.4699 339.8492 240.8982 340.3314 250.7867 340.8135 261.2913 341.2956 272.3816 341.7777 283.3254 342.2598 293.9272 342.7419 304.4541 343.2241 315.2424 343.7062 326.2448 344.1883 336.9866 344.6704 347.5055 345.1525 357.6035 345.6346 366.7721 346.1168 374.8953 346.5989 382.4568 347.0810 389.7368 347.5631 396.5920 348.0452 402.7614 348.5273 408.3412 349.0095 413.0952 349.4916 416.2566 349.9737 417.7647 350.4558 419.8322 350.9379 423.8914 351.4200 428.9003 351.9022 433.0470 352.3843 435.9305 352.8664 438.7568 353.3485 442.0756 353.8306 445.9377 354.3127 450.5619 354.7949 456.1163 355.2770 462.3587 355.7591 468.9906 356.2412 475.9301 356.7233 483.3127 357.2054 491.6665 357.6876 500.3804 358.1697 508.4050 358.6518 515.5372 359.1339 522.4043 359.6160 529.8603 360.0981 537.6297 360.5803 543.9399 361.0624 548.2380 361.5445 551.2044 362.0266 553.3227 362.5087 554.6125 362.9908 555.0571 363.4730 554.9157 363.9551 553.6350 364.4372 549.8754 364.9193 543.2680 365.4014 535.1430 365.8835 525.8647 366.3657 515.5251 366.8478 504.1943 367.3299 491.9119 367.8120 478.7349 368.2941 464.4928 368.7762 449.0443 369.2584 433.3381 369.7405 417.2558 370.2226 401.1777 370.7047 385.6342 371.1868 370.5665 371.6689 355.5547 372.1511 340.0136 372.6332 323.8954 373.1153 308.6504 373.5974 294.4381 374.0795 280.7093 374.5616 267.0529 375.0438 253.6293 375.5259 240.6530 376.0080 228.3045 376.4901 216.5816 376.9722 205.5845 377.4543 195.5393 377.9365 185.9331 378.4186 176.7992 378.9007 168.0293 379.3828 159.4691 379.8649 151.0974 380.3470 143.2224 380.8292 136.3564 381.3113 130.9221 381.7934 125.1921 382.2755 118.8483 382.7576 112.5172 383.2397 106.6008 383.7219 101.0374 384.2040 95.57779 384.6861 90.01262 385.1682 84.37183 385.6503 79.31038 386.1324 75.60782 386.6146 71.66391 387.0967 67.09067 387.5788 62.19910 388.0609 57.28467 388.5430 52.49536 389.0251 47.94708 389.5073 43.85138 389.9894 40.27707 390.4715 37.03778 390.9536 34.36456 391.4357 31.78145 391.9178 28.87096 392.4000 25.67047 392.8821 22.58525 393.3642 20.00766 393.8463 17.94223 394.3284 16.07448 394.8105 14.46507 395.2927 12.97992 395.7748 11.60562 396.2569 10.31516 396.7390 9.049347 397.2211 7.772171 397.7032 6.520126 398.1854 5.386124 398.6675 4.373291 399.1496 3.456924 399.6317 2.550125 400.1138 1.779358 400.5959 1.339417 401.0781 1.254913 401.5602 1.177811 402.0423 0.8186950 402.5244 0.1906740 403.0065 0.6401520 403.4886 1.905807 403.9708 2.995605 404.4529 3.401657 404.9350 3.306992 405.4171 3.221359 405.8992 3.383774 406.3813 3.662369 406.8635 3.846680 407.3456 3.932434 407.8277 4.045853 408.3098 4.314835 408.7919 4.612946 409.2740 4.726761 409.7562 4.593201 410.2383 4.421387 410.7204 4.301834 411.2025 4.237885 411.6846 4.303650 412.1667 4.589996 412.6489 4.813217 413.1310 4.520004 413.6131 3.728638 414.0952 3.097580 414.5773 2.912598 415.0594 2.818359 415.5416 2.455948 416.0237 1.834579 416.5058 1.232193 416.9879 0.8577730 417.4700 0.6433870 417.9521 0.2146300 418.4343 0.7739870 418.9164 1.528259 419.3985 1.675049 419.8806 1.502304 420.3627 1.395966 420.8448 1.480392 421.3270 1.729630 421.8091 2.137955 422.2912 2.857178 422.7733 3.270889 423.2554 3.139862 423.7375 2.937042 424.2197 2.916260 424.7018 3.076691 425.1839 3.309769 425.6660 3.538376 426.1481 3.771729 426.6302 4.073914 427.1124 4.540787 427.5945 4.961731 428.0766 5.333588 428.5587 5.638321 429.0408 5.816345 429.5229 5.864670 430.0051 5.914703 430.4872 6.212921 430.9693 6.888153 431.4514 7.275375 431.9335 6.804947 432.4156 6.539383 432.8978 7.046112 433.3799 8.119888 433.8620 9.195160 434.3441 9.928696 434.8262 10.41263 435.3083 10.91473 435.7905 11.47292 436.2726 11.94009 436.7547 12.18991 437.2368 12.36369 437.7189 12.51607 438.2010 12.64088 438.6832 12.97105 439.1653 13.84520 439.6474 15.14688 440.1295 16.24751 440.6116 17.00673 441.0938 17.63026 441.5759 18.21594 442.0580 18.79437 442.5401 19.48416 443.0222 20.47879 443.5043 21.48625 443.9865 22.06947 444.4686 22.29883 444.9507 22.89813 445.4328 24.40407 445.9149 26.28416 446.3970 27.27428 446.8792 27.16455 447.3613 26.97760 447.8434 26.98428 448.3255 27.06624 448.8076 27.12221 449.2897 27.12372 449.7719 26.99271 450.2540 26.65695 450.7361 26.10797 451.2182 25.40068 451.7003 24.53293 452.1824 23.53905 452.6646 22.27888 453.1467 20.92764 453.6288 19.82509 454.1109 19.11737 454.5930 18.57982 455.0751 17.72118 455.5573 16.17036 456.0394 15.03595 456.5215 14.68567 457.0036 14.36774 457.4857 13.46986 457.9678 12.15340 458.4500 11.10518 458.9321 10.94801 459.4142 11.46365 459.8963 11.29437 460.3784 9.884399 460.8605 8.711761 461.3427 8.258133 461.8248 8.102020 462.3069 7.927200 462.7890 7.673065 463.2711 7.295792 463.7532 6.588440 464.2354 5.586761 464.7175 5.016785 465.1996 5.173584 465.6817 5.454437 466.1638 5.381592 466.6459 5.080719 467.1281 4.892548 467.6102 5.065262 468.0923 5.301361 468.5744 5.119766 469.0565 4.587433 469.5386 4.442490 470.0208 5.065842 470.5029 6.088196 470.9850 6.917252 471.4671 7.596741 471.9492 8.159225 472.4313 8.489059 472.9135 8.735077 473.3956 9.076218 473.8777 9.542282 474.3598 10.06158 474.8419 10.54573 475.3240 11.00916 475.8062 11.69281 476.2883 12.76659 476.7704 13.87483 477.2525 15.06082 477.7346 16.14340 478.2167 16.84790 478.6989 17.14218 479.1810 17.33205 479.6631 17.81059 480.1452 18.63116 480.6273 19.49760 481.1094 20.48016 481.5916 21.39650 482.0737 22.13013 482.5558 22.77737 483.0379 23.48999 483.5200 24.33862 484.0021 25.30481 484.4843 26.38852 484.9664 27.63586 485.4485 28.82263 485.9306 29.96375 486.4127 30.96574 486.8948 31.65392 487.3770 32.09857 487.8591 32.67102 488.3412 33.70200 488.8233 34.96997 489.3054 36.03523 489.7875 36.87192 490.2697 37.62610 490.7518 38.33531 491.2339 39.03000 491.7160 39.79886 492.1981 40.70526 492.6802 41.48994 493.1624 41.82639 493.6445 42.04790 494.1266 42.73393 494.6087 43.97357 495.0908 45.25504 495.5729 46.06873 496.0551 46.42714 496.5372 47.32532 497.0193 49.20552 497.5014 51.02051 497.9835 52.22374 498.4656 53.25227 498.9478 54.75618 499.4299 56.93997 499.9120 59.49529 500.3941 61.96021 500.8762 64.28824 501.3583 66.77661 501.8405 69.27754 502.3226 72.08319 502.8047 75.20612 503.2868 78.73198 503.7689 82.76888 504.2510 87.42117 504.7331 92.50391 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50.08203 532.2138 48.00378 532.6959 46.11604 533.1780 44.25139 533.6602 42.35419 534.1423 40.83046 534.6244 39.98712 535.1065 39.10780 535.5886 37.77289 536.0707 36.27379 536.5529 35.09540 537.0350 34.43384 537.5171 34.03938 537.9992 33.55989 538.4813 32.99591 538.9634 32.34114 539.4456 31.39085 539.9277 30.58746 540.4098 30.16852 540.8919 30.03978 541.3740 30.02663 541.8561 30.11374 542.3383 30.17792 542.8204 30.06705 543.3025 29.79111 543.7846 29.41977 544.2667 28.90741 544.7488 28.42749 545.2310 28.17368 545.7131 28.12663 546.1952 28.18915 546.6773 28.50688 547.1594 28.78284 547.6415 28.84973 548.1237 28.71898 548.6058 28.33824 549.0879 27.67032 549.5700 27.05169 550.0521 27.11526 550.5342 28.32893 551.0164 28.77590 551.4985 28.13766 551.9806 27.18753 552.4627 26.12498 552.9448 25.02021 553.4269 23.93153 553.9091 22.88933 554.3912 21.84443 554.8733 20.75321 555.3554 19.63844 555.8375 18.25898 556.3196 16.35588 556.8018 14.43745 557.2839 12.88467 557.7660 11.56847 558.2481 10.12622 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