#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:34:53 +0300 (Thu, 24 May 2018) $ #$Revision: 910 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000387.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_1000387 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 R120004 _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 R120004.rod _rod_data_source.block 3500000 _rod_database.code 1000387 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 91.60352 0.0000000E+00 92.08563 0.6392820 92.56775 1.642784 93.04987 3.060364 93.53198 4.445313 94.01410 4.788948 94.49622 4.347588 94.97833 3.541111 95.46045 2.698307 95.94257 1.799583 96.42468 1.386131 96.90680 1.911594 97.38892 2.722809 97.87103 2.982708 98.35315 2.842529 98.83527 2.446598 99.31738 2.041176 99.79950 1.740986 100.2816 1.422585 100.7637 0.9044230 101.2458 0.3632240 101.7280 6.2691003E-02 102.2101 0.1227680 102.6922 0.3032840 103.1743 0.2508200 103.6564 1.9703001E-02 104.1385 0.3453100 104.6207 0.9764750 105.1028 1.780655 105.5849 2.431473 106.0670 2.847034 106.5491 2.955383 107.0313 2.712719 107.5134 2.085163 107.9955 1.382477 108.4776 0.9221340 108.9597 0.7127800 109.4418 0.5592040 109.9240 0.4824330 110.4061 0.4111900 110.8882 0.2803420 111.3703 2.6737001E-02 111.8524 0.2743150 112.3345 0.3022580 112.8167 0.1519550 113.2988 0.4862210 113.7809 0.5752720 114.2630 0.5565870 114.7451 0.5975910 115.2272 0.7334860 115.7094 0.8926620 116.1915 1.033951 116.6736 1.204586 117.1557 1.387486 117.6378 1.509296 118.1199 1.630554 118.6021 1.612957 119.0842 1.453388 119.5663 1.237495 120.0484 1.189770 120.5305 1.304405 121.0126 1.484432 121.4948 1.721004 121.9769 2.012634 122.4590 2.255825 122.9411 2.334259 123.4232 2.277874 123.9053 2.118279 124.3875 1.767742 124.8696 1.313313 125.3517 0.9986610 125.8338 0.8683890 126.3159 0.8765980 126.7980 1.013096 127.2802 1.253021 127.7623 1.481293 128.2444 1.624409 128.7265 1.683369 129.2086 1.643002 129.6907 1.328812 130.1729 1.037636 130.6550 0.9640660 131.1371 1.104885 131.6192 1.269997 132.1013 1.163692 132.5834 0.5235790 133.0656 0.1330870 133.5477 0.1045040 134.0298 0.2217750 134.5119 0.3572960 134.9940 0.4599040 135.4761 0.5144420 135.9583 0.4827460 136.4404 0.2675630 136.9225 8.3274998E-02 137.4046 9.2074998E-02 137.8867 0.2247310 138.3688 0.2445830 138.8510 0.1038550 139.3331 0.1375540 139.8152 0.2909360 140.2973 0.3639600 140.7794 0.3637660 141.2615 0.2203830 141.7437 2.1136999E-02 142.2258 0.1673890 142.7079 5.8623999E-02 143.1900 0.2127190 143.6721 0.3497240 144.1542 7.8060001E-02 144.6364 3.7815001E-02 145.1185 1.238621 145.6006 3.993984 146.0827 6.093868 146.5648 5.541454 147.0469 3.812656 147.5291 2.358715 148.0112 1.750805 148.4933 1.844864 148.9754 2.326191 149.4575 3.648140 149.9396 4.723495 150.4218 5.087910 150.9039 5.104317 151.3860 5.192886 151.8681 5.559128 152.3502 6.223598 152.8323 7.176037 153.3145 8.760788 153.7966 10.33770 154.2787 11.92527 154.7608 13.41593 155.2429 14.64184 155.7250 15.46028 156.2072 15.84266 156.6893 16.22541 157.1714 16.62029 157.6535 17.00549 158.1356 17.33744 158.6177 17.63614 159.0999 17.97816 159.5820 18.42874 160.0641 19.00014 160.5462 19.66860 161.0283 20.42196 161.5104 21.30320 161.9926 22.40045 162.4747 23.71628 162.9568 25.02452 163.4389 25.96651 163.9210 26.57394 164.4031 27.50658 164.8853 28.99566 165.3674 30.83784 165.8495 32.67856 166.3316 34.41187 166.8137 36.33997 167.2958 38.64820 167.7780 41.31908 168.2601 44.50645 168.7422 48.33725 169.2243 52.75857 169.7064 57.47659 170.1885 62.41372 170.6707 67.82383 171.1528 74.07447 171.6349 80.95481 172.1170 87.67135 172.5991 94.31757 173.0812 101.0290 173.5634 104.8125 174.0455 104.7405 174.5276 101.9258 175.0097 95.96382 175.4918 87.26825 175.9739 77.17300 176.4561 66.82687 176.9382 55.63197 177.4203 46.05502 177.9024 38.35205 178.3845 31.85283 178.8666 26.38024 179.3488 21.87006 179.8309 18.24292 180.3130 15.51941 180.7951 14.12490 181.2772 12.78341 181.7593 11.38409 182.2415 10.09863 182.7236 9.094326 183.2057 8.399086 183.6878 7.874529 184.1699 7.310467 184.6520 6.638874 185.1342 6.081745 185.6163 5.748606 186.0984 5.488207 186.5805 5.129091 187.0626 4.616665 187.5447 4.037445 188.0269 3.526443 188.5090 3.069365 188.9911 2.710583 189.4732 2.512554 189.9553 2.410189 190.4374 2.290920 190.9196 2.119484 191.4017 1.937292 191.8838 1.816801 192.3659 1.767921 192.8480 1.670279 193.3301 1.404175 193.8123 1.027086 194.2944 0.7620200 194.7765 0.7177240 195.2586 0.7431490 195.7407 0.6735120 196.2228 0.5146030 196.7050 0.3433690 197.1871 0.1949080 197.6692 6.4980000E-02 198.1513 3.5507001E-02 198.6334 4.7015999E-02 199.1155 8.3401002E-02 199.5977 0.2653240 200.0798 0.5902710 200.5619 0.8775140 201.0440 0.9556240 201.5261 0.8033390 202.0082 0.6184010 202.4904 0.2817990 202.9725 2.3990001E-03 203.4546 8.5135996E-02 203.9367 4.4406999E-02 204.4188 0.2536660 204.9009 0.4026180 205.3831 0.5074200 205.8652 0.4853740 206.3473 0.1455690 206.8294 0.1819110 207.3115 0.2300340 207.7936 7.1910000E-03 208.2758 0.2741580 208.7579 0.1939510 209.2400 0.4343720 209.7221 0.9905360 210.2042 1.552879 210.6863 2.003597 211.1685 2.169941 211.6506 2.060787 212.1327 1.926945 212.6148 2.135338 213.0969 2.836227 213.5790 3.616482 214.0612 4.524479 214.5433 5.486519 215.0254 6.383450 215.5075 7.198486 215.9896 8.141018 216.4717 9.529137 216.9539 11.66693 217.4360 13.51683 217.9181 14.90810 218.4002 16.09648 218.8823 17.30739 219.3644 18.58164 219.8466 19.88764 220.3287 21.21728 220.8108 22.60265 221.2929 23.86807 221.7750 24.88600 222.2571 25.80236 222.7393 26.79269 223.2214 27.89064 223.7035 29.07058 224.1856 30.24461 224.6677 31.40794 225.1498 32.87270 225.6320 34.88005 226.1141 37.19925 226.5962 39.41545 227.0783 41.40127 227.5604 43.43902 228.0425 45.82648 228.5247 48.49194 229.0068 51.34105 229.4889 54.25544 229.9710 57.31148 230.4531 60.73008 230.9352 64.57826 231.4174 68.68132 231.8995 72.65237 232.3816 76.67515 232.8637 81.35018 233.3458 87.17615 233.8279 93.89731 234.3101 101.0397 234.7922 109.3691 235.2743 116.5923 235.7564 122.5154 236.2385 126.6185 236.7206 127.7221 237.2028 124.9542 237.6849 118.6289 238.1670 109.7418 238.6491 96.72368 239.1312 83.33215 239.6133 70.19009 240.0955 57.84130 240.5776 46.97720 241.0597 38.10980 241.5418 31.06810 242.0239 25.28728 242.5060 21.30191 242.9882 17.97023 243.4703 14.90609 243.9524 12.19246 244.4345 9.972027 244.9166 8.347103 245.3987 7.250351 245.8809 6.422932 246.3630 6.100754 246.8451 5.764999 247.3272 5.247738 247.8093 4.671326 248.2914 4.209225 248.7736 3.959759 249.2557 3.868774 249.7378 3.721149 250.2199 3.517685 250.7020 3.245567 251.1841 2.790123 251.6663 2.299274 252.1484 1.952438 252.6305 1.839939 253.1126 1.914520 253.5947 2.021011 254.0768 2.074997 254.5590 2.270824 255.0411 2.752457 255.5232 3.327003 256.0053 3.755436 256.4874 3.941708 256.9695 4.022247 257.4517 4.319546 257.9338 4.902729 258.4159 5.646130 258.8980 6.308167 259.3801 7.266918 259.8622 9.160702 260.3444 12.18925 260.8265 15.59504 261.3086 17.92907 261.7907 18.34177 262.2728 18.90648 262.7549 19.60154 263.2371 20.49502 263.7192 21.90517 264.2013 23.90047 264.6834 25.78902 265.1655 26.53233 265.6476 25.77148 266.1298 24.41097 266.6119 22.30807 267.0940 19.75700 267.5761 16.78835 268.0582 13.42912 268.5403 10.16599 269.0225 7.569870 269.5046 5.796009 269.9867 4.199329 270.4688 2.733383 270.9509 1.470116 271.4330 0.5116200 271.9152 0.1389240 272.3973 0.6364020 272.8794 1.113117 273.3615 1.565224 273.8436 1.931614 274.3257 2.144630 274.8079 2.320950 275.2900 2.583988 275.7721 2.929947 276.2542 3.206741 276.7363 3.291428 277.2184 3.188152 277.7006 3.075916 278.1827 2.980392 278.6648 2.856846 279.1469 2.659042 279.6290 2.395603 280.1111 2.126122 280.5933 1.867386 281.0754 1.639584 281.5575 1.485584 282.0396 1.460697 282.5217 1.441574 283.0038 1.435192 283.4860 1.404091 283.9681 1.116055 284.4502 0.3412630 284.9323 0.6542050 285.4144 1.284405 285.8965 1.394001 286.3787 1.533325 286.8608 2.056393 287.3429 2.868702 287.8250 3.614338 288.3071 4.111500 288.7892 4.589184 289.2714 5.402069 289.7535 6.576969 290.2356 7.770081 290.7177 8.740067 291.1998 9.603973 291.6819 10.67524 292.1641 12.01487 292.6462 13.60867 293.1283 15.59283 293.6104 17.90588 294.0925 20.01413 294.5746 21.67551 295.0568 22.98716 295.5389 24.11058 296.0210 25.03139 296.5031 25.85764 296.9852 26.86343 297.4673 27.89728 297.9495 28.43310 298.4316 27.99292 298.9137 27.07449 299.3958 26.31947 299.8779 25.70628 300.3600 25.43912 300.8422 25.75875 301.3243 26.51683 301.8064 27.50631 302.2885 28.68682 302.7706 30.09113 303.2527 31.76536 303.7349 33.72028 304.2170 35.88692 304.6991 38.17008 305.1812 40.70655 305.6633 43.63333 306.1454 46.93346 306.6276 50.70024 307.1097 55.09387 307.5918 60.08467 308.0739 65.36659 308.5560 70.88491 309.0381 76.58235 309.5203 82.45100 310.0024 88.55515 310.4845 94.41653 310.9666 100.0532 311.4487 105.2892 311.9308 109.3132 312.4130 112.3466 312.8951 113.3488 313.3772 111.4405 313.8593 106.8720 314.3414 100.9397 314.8235 93.64418 315.3057 85.48106 315.7878 77.47285 316.2699 69.49870 316.7520 62.27734 317.2341 56.34112 317.7162 51.52643 318.1984 47.66447 318.6805 44.82421 319.1626 42.86629 319.6447 41.57958 320.1268 40.95607 320.6089 41.04805 321.0911 42.28150 321.5732 44.17575 322.0553 46.09710 322.5374 47.86021 323.0195 49.73043 323.5016 52.12571 323.9838 55.06684 324.4659 57.75258 324.9480 60.06490 325.4301 61.76535 325.9122 62.62086 326.3943 62.57904 326.8765 61.94021 327.3586 60.56285 327.8407 58.62906 328.3228 57.16113 328.8049 56.35276 329.2870 56.18224 329.7692 56.56269 330.2513 57.45647 330.7334 58.73807 331.2155 60.12905 331.6976 61.88587 332.1797 64.67652 332.6619 68.70915 333.1440 73.39226 333.6261 78.36720 334.1082 83.60867 334.5903 89.22553 335.0724 95.32153 335.5546 101.7401 336.0367 108.4319 336.5188 115.4215 337.0009 122.1209 337.4830 127.8967 337.9651 133.2507 338.4473 139.0376 338.9294 145.2429 339.4115 152.0519 339.8936 159.6448 340.3757 168.0040 340.8578 176.7182 341.3400 185.5685 341.8221 194.9106 342.3042 205.0344 342.7863 215.8407 343.2684 227.8131 343.7505 241.3753 344.2327 256.2816 344.7148 271.7583 345.1969 287.3821 345.6790 304.2442 346.1611 323.7371 346.6432 345.5109 347.1254 369.4249 347.6075 395.8230 348.0896 424.1300 348.5717 453.6763 349.0538 484.5808 349.5359 515.5497 350.0181 546.3978 350.5002 576.6108 350.9823 604.4633 351.4644 632.4114 351.9465 655.6177 352.4286 671.2999 352.9108 679.5672 353.3929 680.9824 353.8750 675.1514 354.3571 662.9547 354.8392 646.5469 355.3214 624.6647 355.8035 602.3387 356.2856 579.9462 356.7677 558.6078 357.2498 540.1929 357.7319 525.1486 358.2141 513.4374 358.6962 505.0847 359.1783 500.1003 359.6604 498.4727 360.1425 500.4312 360.6246 505.5570 361.1068 513.5677 361.5889 524.4626 362.0710 537.9626 362.5531 553.7494 363.0352 572.1156 363.5173 593.7699 363.9995 618.8313 364.4816 646.7231 364.9637 677.5302 365.4458 710.9276 365.9279 746.5526 366.4100 784.4496 366.8922 823.8308 367.3743 861.6199 367.8564 900.5728 368.3385 934.3065 368.8206 964.7208 369.3027 988.3388 369.7849 1001.592 370.2670 1003.342 370.7491 993.3716 371.2312 970.8614 371.7133 933.3337 372.1954 888.7541 372.6776 834.5624 373.1597 776.3383 373.6418 714.5948 374.1239 651.1662 374.6060 590.0222 375.0881 533.4660 375.5703 481.7451 376.0524 435.4027 376.5345 394.8731 377.0166 358.7430 377.4987 327.1534 377.9808 299.5765 378.4630 275.4030 378.9451 254.3606 379.4272 236.1736 379.9093 220.2802 380.3914 207.1965 380.8735 195.7259 381.3557 186.2676 381.8378 177.8779 382.3199 170.0269 382.8020 162.5015 383.2841 155.2122 383.7662 148.1912 384.2484 141.5295 384.7305 134.2964 385.2126 125.9316 385.6947 117.4672 386.1768 109.0134 386.6589 100.7168 387.1411 92.73786 387.6232 85.11993 388.1053 77.89736 388.5874 71.25459 389.0695 65.21978 389.5516 59.79022 390.0338 54.95514 390.5159 50.59340 390.9980 46.67102 391.4801 43.16497 391.9622 39.95893 392.4443 36.87957 392.9265 33.91888 393.4086 31.21000 393.8907 28.81413 394.3728 26.67177 394.8549 24.85476 395.3370 23.28723 395.8192 21.72082 396.3013 19.89398 396.7834 17.94614 397.2655 16.36893 397.7476 15.23779 398.2297 14.29190 398.7119 13.52977 399.1940 12.82672 399.6761 12.01304 400.1582 11.00980 400.6403 9.964809 401.1224 8.979706 401.6046 8.052902 402.0867 7.326660 402.5688 6.950012 403.0509 6.676132 403.5330 6.170326 404.0151 5.426025 404.4973 4.767799 404.9794 4.438435 405.4615 4.280609 405.9436 3.992149 406.4257 3.520824 406.9078 3.044365 407.3900 2.733925 407.8721 2.550945 408.3542 2.281353 408.8363 1.862720 409.3184 1.422108 409.8005 1.021584 410.2827 0.6638410 410.7648 0.3818550 411.2469 0.2145690 411.7290 8.2774997E-02 412.2111 0.2219620 412.6932 0.8192860 413.1754 1.267441 413.6575 1.480434 414.1396 1.514267 414.6217 1.323700 415.1038 0.9374660 415.5859 0.6527670 416.0681 0.8097270 416.5502 1.476101 417.0323 1.819801 417.5144 1.624748 417.9965 1.390316 418.4786 1.271034 418.9608 1.265652 419.4429 1.377029 419.9250 1.615929 420.4071 1.890926 420.8892 1.939125 421.3713 1.527645 421.8535 1.234062 422.3356 1.083916 422.8177 1.040737 423.2998 1.113598 423.7819 1.281349 424.2640 1.468185 424.7462 1.608192 425.2283 1.705349 425.7104 1.706585 426.1925 1.482899 426.6746 1.300087 427.1567 1.241302 427.6389 1.270798 428.1210 1.337349 428.6031 1.422749 429.0852 1.507984 429.5673 1.576469 430.0494 1.663548 430.5316 1.608948 431.0137 1.224228 431.4958 0.7830470 431.9779 0.4602240 432.4600 0.2642670 432.9421 8.9184001E-02 433.4243 0.1491050 433.9064 0.4342610 434.3885 0.6859660 434.8706 0.8747830 435.3527 1.093060 435.8348 1.457104 436.3170 1.882420 436.7991 2.217564 437.2812 2.354668 437.7633 2.488583 438.2454 2.839848 438.7275 3.375000 439.2097 3.848595 439.6918 4.159542 440.1739 4.394745 440.6560 4.675827 441.1381 5.002487 441.6202 5.349777 442.1024 5.724171 442.5845 6.107712 443.0666 6.450409 443.5487 6.756672 444.0308 7.116497 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