#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:34:07 +0300 (Thu, 24 May 2018) $ #$Revision: 899 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000377.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_1000377 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 R060423 _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 R060423.rod _rod_data_source.block 3500000 _rod_database.code 1000377 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 113.9013 0.0000000E+00 114.3834 0.2060970 114.8655 0.2970620 115.3476 7.5726002E-02 115.8298 1.7829999E-02 116.3119 0.1616710 116.7940 0.3378030 117.2761 0.5482600 117.7582 0.6776810 118.2403 0.7268180 118.7225 0.6788940 119.2046 0.5600550 119.6867 0.4678460 120.1688 0.2717480 120.6509 0.2264370 121.1330 0.5195810 121.6152 1.071335 122.0973 1.550156 122.5794 1.677013 123.0615 1.425270 123.5436 1.274883 124.0257 1.394314 124.5079 1.475700 124.9900 1.444504 125.4721 1.374092 125.9542 1.288971 126.4363 1.154980 126.9184 1.041039 127.4006 1.031956 127.8827 1.153671 128.3648 1.410080 128.8469 1.577072 129.3290 1.555237 129.8111 1.407822 130.2932 1.201412 130.7754 0.9979290 131.2575 0.8728940 131.7396 0.8179360 132.2217 0.8713680 132.7038 0.7852250 133.1859 0.3009680 133.6681 3.1498000E-02 134.1502 0.1692430 134.6323 3.5519000E-02 135.1144 0.2930110 135.5965 0.7089960 136.0786 1.377602 136.5608 1.764263 137.0429 1.794109 137.5250 1.650303 138.0071 1.426434 138.4892 1.158184 138.9713 0.8676070 139.4535 0.6012040 139.9356 0.2206730 140.4177 6.9243997E-02 140.8998 0.3939400 141.3819 0.9074130 141.8640 1.204102 142.3462 1.089447 142.8283 0.6974950 143.3104 0.3929440 143.7925 0.1445160 144.2746 2.8599999E-04 144.7567 7.5840000E-03 145.2388 0.1472090 145.7210 0.3461380 146.2031 0.6428760 146.6852 0.9252360 147.1673 0.9872970 147.6494 0.7008320 148.1315 0.3698620 148.6137 0.3021470 149.0958 0.5332680 149.5779 0.7765010 150.0600 0.9471020 150.5421 1.040848 151.0242 1.035889 151.5064 0.9156380 151.9885 0.6955300 152.4706 0.4286990 152.9527 1.4168000E-02 153.4348 9.8067999E-02 153.9169 0.5859600 154.3991 1.315136 154.8812 2.029770 155.3633 2.586102 155.8454 2.887905 156.3275 3.180855 156.8096 3.347790 157.2918 3.455357 157.7739 3.586700 158.2560 3.760338 158.7381 3.927299 159.2202 4.023159 159.7023 4.039619 160.1845 4.092632 160.6666 4.235882 161.1487 4.510891 161.6308 4.775368 162.1129 5.119610 162.5950 5.399540 163.0772 5.440559 163.5593 5.201046 164.0414 5.196232 164.5235 5.655399 165.0056 6.156731 165.4877 6.354252 165.9698 6.229839 166.4520 6.096802 166.9341 6.269772 167.4162 6.756371 167.8983 7.319454 168.3804 8.144081 168.8625 8.953510 169.3447 9.255192 169.8268 8.840549 170.3089 8.492241 170.7910 9.218628 171.2731 10.74097 171.7552 12.16204 172.2374 12.81018 172.7195 13.01806 173.2016 13.80595 173.6837 15.64411 174.1658 17.53611 174.6479 18.96401 175.1301 19.91422 175.6122 20.32814 176.0943 20.01694 176.5764 19.00755 177.0585 17.94016 177.5406 16.82377 178.0228 15.66985 178.5049 14.49624 178.9870 13.29740 179.4691 12.06461 179.9512 10.76351 180.4333 9.364243 180.9155 8.026035 181.3976 6.554138 181.8797 5.294014 182.3618 4.435795 182.8439 3.982468 183.3260 3.825241 183.8082 3.896996 184.2903 4.465462 184.7724 4.524094 185.2545 3.750710 185.7366 2.817593 186.2187 2.126682 186.7009 1.761391 187.1830 1.567524 187.6651 1.322693 188.1472 0.9274440 188.6293 0.7092130 189.1114 0.7687420 189.5936 0.9414790 190.0757 1.177624 190.5578 1.451221 191.0399 1.571533 191.5220 1.141926 192.0041 0.2177090 192.4863 1.041782 192.9684 0.8218270 193.4505 0.1007390 193.9326 0.4822500 194.4147 0.7541430 194.8968 0.7830960 195.3790 0.5750730 195.8611 9.2685997E-02 196.3432 0.2654990 196.8253 0.2769930 197.3074 8.3793998E-02 197.7895 1.8062999E-02 198.2717 0.2189790 198.7538 0.4649540 199.2359 0.4823070 199.7180 0.2778240 200.2001 2.2324000E-02 200.6822 0.2480280 201.1644 0.5111390 201.6465 0.6491890 202.1286 0.5736810 202.6107 0.4342230 203.0928 0.3511310 203.5749 0.3272020 204.0571 0.3667410 204.5392 0.5558590 205.0213 0.8884960 205.5034 0.9941520 205.9855 0.6536100 206.4676 0.1804080 206.9497 0.3497430 207.4319 0.8927540 207.9140 1.234512 208.3961 1.040169 208.8782 0.1877710 209.3603 0.4215890 209.8424 0.4492230 210.3246 0.3909610 210.8067 0.4700390 211.2888 0.7176780 211.7709 1.028915 212.2530 1.222118 212.7351 1.174294 213.2173 1.368160 213.6994 2.053173 214.1815 2.772003 214.6636 3.243145 215.1457 3.447857 215.6278 3.592678 216.1100 3.952801 216.5921 4.642139 217.0742 5.274754 217.5563 5.779202 218.0384 6.292393 218.5205 6.936996 219.0027 7.712555 219.4848 8.506821 219.9669 9.161373 220.4490 9.615025 220.9311 10.06254 221.4132 10.32517 221.8954 10.69998 222.3775 11.52711 222.8596 12.82029 223.3417 14.16626 223.8238 15.00070 224.3059 14.98166 224.7881 15.40339 225.2702 16.76630 225.7523 18.26584 226.2344 19.13456 226.7165 19.24743 227.1986 19.14111 227.6807 19.46290 228.1629 20.29480 228.6450 21.20255 229.1271 22.28981 229.6092 23.40157 230.0913 24.30640 230.5734 24.95306 231.0556 25.59983 231.5377 26.58826 232.0198 27.86914 232.5019 28.87608 232.9840 29.35285 233.4661 29.61747 233.9483 30.07816 234.4304 30.82028 234.9125 31.57497 235.3946 31.90028 235.8767 31.92848 236.3588 32.35532 236.8410 33.55920 237.3231 35.20000 237.8052 36.93518 238.2873 38.89230 238.7694 40.43131 239.2515 40.91198 239.7337 40.59891 240.2158 39.90384 240.6979 39.16346 241.1800 38.07984 241.6621 35.94034 242.1442 32.38728 242.6264 28.69305 243.1085 25.60703 243.5906 22.92855 244.0727 20.37777 244.5548 17.79485 245.0369 15.29901 245.5191 13.15805 246.0012 11.43157 246.4833 9.934109 246.9654 8.623627 247.4475 7.462193 247.9296 6.390888 248.4117 5.330696 248.8939 4.396107 249.3760 3.895874 249.8581 4.029587 250.3402 4.035847 250.8223 3.622734 251.3044 3.076500 251.7866 2.640213 252.2687 2.394932 252.7508 2.314785 253.2329 2.381023 253.7150 2.700699 254.1971 2.901451 254.6793 2.875484 255.1614 2.756756 255.6435 2.656116 256.1256 2.606636 256.6077 2.558327 257.0898 2.407650 257.5720 2.056107 258.0541 1.846298 258.5362 1.850433 259.0183 1.972839 259.5004 2.167797 259.9825 2.410954 260.4647 2.639713 260.9468 2.691929 261.4289 2.275028 261.9110 2.293819 262.3931 3.068676 262.8752 4.066135 263.3574 4.860744 263.8395 5.347103 264.3216 5.704464 264.8037 6.229263 265.2858 7.035881 265.7679 7.797459 266.2501 8.586823 266.7322 9.374439 267.2143 10.12108 267.6964 10.77931 268.1785 11.28972 268.6606 11.52772 269.1428 11.22925 269.6249 11.37385 270.1070 12.59795 270.5891 13.68603 271.0712 13.82143 271.5533 12.98547 272.0355 11.74553 272.5176 10.70298 272.9997 9.902477 273.4818 9.147884 273.9639 8.465351 274.4460 7.797081 274.9282 7.116596 275.4103 6.422985 275.8924 5.723209 276.3745 5.009258 276.8566 4.260757 277.3387 3.706532 277.8208 3.462498 278.3029 3.251350 278.7851 2.896095 279.2672 2.457008 279.7493 2.154224 280.2314 2.180241 280.7135 2.516876 281.1956 2.582169 281.6778 2.351055 282.1599 1.941349 282.6420 1.222088 283.1241 0.3509220 283.6062 0.3453060 284.0883 0.6626550 284.5705 0.6610340 285.0526 0.6696010 285.5347 0.5721090 286.0168 0.6135710 286.4989 0.9494630 286.9810 1.450222 287.4632 1.956985 287.9453 2.424450 288.4274 2.745110 288.9095 2.569641 289.3916 1.432167 289.8737 0.5283890 290.3559 0.1078950 290.8380 9.0480000E-03 291.3201 7.5549997E-02 291.8022 0.2632900 292.2843 0.4710160 292.7664 0.5044900 293.2486 0.2767330 293.7307 8.2984999E-02 294.2128 5.6221001E-02 294.6949 0.1445690 295.1770 0.1193810 295.6591 3.0192999E-02 296.1413 0.1002810 296.6234 0.2064820 297.1055 1.028831 297.5876 1.684418 298.0697 2.030552 298.5518 2.276638 299.0340 2.581871 299.5161 2.968777 299.9982 3.411572 300.4803 3.890835 300.9624 4.411121 301.4445 4.950157 301.9267 5.703999 302.4088 6.315479 302.8909 6.386578 303.3730 6.005848 303.8551 5.778027 304.3372 6.170727 304.8194 7.114315 305.3015 7.856003 305.7836 8.232605 306.2657 8.595592 306.7478 9.096771 307.2299 9.718132 307.7121 10.42062 308.1942 11.21904 308.6763 12.04504 309.1584 12.63081 309.6405 12.73370 310.1227 13.00728 310.6048 13.72799 311.0869 14.75432 311.5690 15.83585 312.0511 16.88668 312.5332 17.91602 313.0154 18.93945 313.4975 19.99939 313.9796 20.94801 314.4617 21.51215 314.9438 22.03835 315.4259 23.01536 315.9081 24.56796 316.3902 26.41943 316.8723 28.34122 317.3544 30.40622 317.8365 32.02077 318.3186 33.17274 318.8007 33.83299 319.2828 33.79268 319.7650 33.07901 320.2471 32.27069 320.7292 31.92141 321.2113 32.02808 321.6934 31.69797 322.1755 30.73817 322.6577 29.52587 323.1398 28.21950 323.6219 26.84871 324.1040 25.43272 324.5861 23.95820 325.0682 22.46635 325.5504 21.21465 326.0325 20.00581 326.5146 19.19609 326.9967 19.15258 327.4788 19.58562 327.9609 19.85000 328.4431 19.62992 328.9252 19.21331 329.4073 19.32394 329.8894 20.24371 330.3715 20.99091 330.8536 21.28948 331.3358 21.35203 331.8179 21.41357 332.3000 21.53483 332.7821 21.72581 333.2642 22.02700 333.7463 22.50400 334.2285 22.83018 334.7106 22.69078 335.1927 22.60089 335.6748 23.09496 336.1569 24.16285 336.6390 25.26086 337.1212 25.89470 337.6033 26.03962 338.0854 26.31439 338.5675 26.64897 339.0496 27.16248 339.5317 27.94634 340.0139 28.96428 340.4960 30.08995 340.9781 31.23517 341.4602 32.43056 341.9423 33.90197 342.4244 36.11692 342.9066 38.02512 343.3887 38.99104 343.8708 39.63424 344.3529 40.82588 344.8350 42.89075 345.3171 45.58571 345.7993 48.47862 346.2814 51.84743 346.7635 54.97941 347.2456 57.47441 347.7277 60.00279 348.2098 63.14857 348.6920 66.96807 349.1741 71.14107 349.6562 75.20736 350.1383 79.00626 350.6204 83.72128 351.1025 89.92610 351.5847 96.36535 352.0668 102.2991 352.5489 107.8497 353.0310 113.6243 353.5131 120.0691 353.9952 127.0799 354.4774 133.7266 354.9595 139.6958 355.4416 145.6304 355.9237 151.6024 356.4058 157.6161 356.8879 163.8224 357.3701 170.2683 357.8522 176.6251 358.3343 182.2260 358.8164 186.9173 359.2985 191.0061 359.7806 194.3784 360.2627 197.2988 360.7448 199.7488 361.2270 201.8247 361.7091 203.8833 362.1912 206.3516 362.6733 209.2464 363.1554 212.6305 363.6375 216.7762 364.1197 221.0571 364.6018 224.9315 365.0839 228.7118 365.5660 233.1187 366.0481 238.7386 366.5302 245.4407 367.0124 252.2146 367.4945 259.6150 367.9766 266.3042 368.4587 272.5624 368.9408 277.7963 369.4229 281.3900 369.9051 283.0763 370.3872 282.9597 370.8693 281.2650 371.3514 278.1961 371.8335 272.8706 372.3156 264.5272 372.7978 254.5858 373.2799 243.6289 373.7620 231.8603 374.2441 219.1757 374.7262 204.9402 375.2083 189.0552 375.6905 174.7736 376.1726 162.6769 376.6547 151.6916 377.1368 141.6182 377.6189 132.1945 378.1010 122.9929 378.5832 113.5085 379.0653 104.2190 379.5474 96.45470 380.0295 90.60514 380.5116 85.28534 380.9937 79.89715 381.4759 74.80039 381.9580 70.47394 382.4401 67.10198 382.9222 64.06813 383.4043 60.65308 383.8864 56.85655 384.3686 53.46039 384.8507 50.69356 385.3328 48.35757 385.8149 46.24896 386.2970 44.37017 386.7791 42.64375 387.2613 41.10831 387.7434 39.70477 388.2255 38.28115 388.7076 36.82477 389.1897 35.37578 389.6718 33.92025 390.1540 32.49121 390.6361 31.15421 391.1182 29.81865 391.6003 28.68903 392.0824 28.03929 392.5645 27.82142 393.0467 27.65812 393.5288 27.46691 394.0109 27.16637 394.4930 26.60181 394.9751 25.72522 395.4572 24.81381 395.9394 23.69825 396.4215 22.69123 396.9036 22.54667 397.3857 23.50286 397.8678 24.49484 398.3499 24.32287 398.8321 22.89568 399.3142 21.71025 399.7963 20.91604 400.2784 20.29936 400.7605 19.88950 401.2426 19.57297 401.7247 18.90298 402.2068 17.53688 402.6890 15.68496 403.1711 14.32610 403.6532 13.98758 404.1353 13.40316 404.6174 12.12115 405.0995 10.56286 405.5817 9.248802 406.0638 8.336487 406.5459 7.640835 407.0280 6.914974 407.5101 6.159508 407.9922 5.384041 408.4744 4.438808 408.9565 3.611454 409.4386 3.178925 409.9207 3.020374 410.4028 2.727741 410.8849 1.960979 411.3671 0.8333850 411.8492 0.2000310 412.3313 0.6062470 412.8134 0.8528710 413.2955 0.6534040 413.7776 0.2753680 414.2598 3.2093000E-02 414.7419 2.0695001E-02 415.2240 7.7983998E-02 415.7061 5.7594001E-02 416.1882 0.4571460 416.6703 0.8059540 417.1525 1.199585 417.6346 1.439053 418.1167 1.272366 418.5988 0.8365480 419.0809 0.5597270 419.5630 0.8180920 420.0452 1.458015 420.5273 1.832909 421.0094 1.883644 421.4915 1.779621 421.9736 1.457138 422.4557 1.080925 422.9379 0.8390050 423.4200 0.7915460 423.9021 0.8249090 424.3842 0.8167040 424.8663 0.7704240 425.3484 0.7805020 425.8306 0.9081040 426.3127 1.044853 426.7948 1.154808 427.2769 1.219788 427.7590 1.099632 428.2411 0.5261920 428.7233 0.1824610 429.2054 0.5205730 429.6875 0.4547960 430.1696 0.2323800 430.6517 0.1139640 431.1339 0.4701350 431.6160 0.5226170 432.0981 6.1110999E-02 432.5802 0.3725590 433.0623 0.3937640 433.5444 0.2044030 434.0266 0.2559740 434.5087 0.7002370 434.9908 1.299477 435.4729 1.760780 435.9550 2.075417 436.4371 2.236439 436.9193 2.171349 437.4014 2.011097 437.8835 1.777710 438.3656 1.516895 438.8477 1.349159 439.3298 1.357185 439.8120 1.518188 440.2941 1.712257 440.7762 2.127403 441.2583 2.338741 441.7404 2.084366 442.2225 1.717758 442.7046 1.622364 443.1867 1.881260 443.6689 2.271088 444.1510 2.504295 444.6331 2.540253 445.1152 2.625473 445.5973 2.914330 446.0794 3.097832 446.5616 2.993233 447.0437 2.710873 447.5258 2.453602 448.0079 2.331585 448.4900 2.317165 448.9721 2.368801 449.4543 2.543503 449.9364 2.619339 450.4185 2.338329 450.9006 2.079582 451.3827 2.177303 451.8648 2.642818 452.3470 3.112389 452.8291 3.306587 453.3112 3.266434 453.7933 3.138992 454.2754 2.882740 454.7575 2.661221 455.2397 2.582302 455.7218 2.612106 456.2039 2.720985 456.6860 2.963261 457.1681 3.195301 457.6502 3.263691 458.1324 3.206493 458.6145 3.228462 459.0966 3.450672 459.5787 3.669712 460.0608 3.505348 460.5429 2.920040 461.0251 2.496174 461.5072 2.415062 461.9893 2.486279 462.4714 2.553890 462.9535 2.609016 463.4356 2.718124 463.9178 2.953991 464.3999 3.262459 464.8820 3.343338 465.3641 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