#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:42:26 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1245 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000655.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_1000655 loop_ _publ_author_name 'Hawthorne, F. C.' _publ_section_title ; The crystal chemistry of the amphiboles: V. The structure and chemistry of arfvedsonite ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 346 _journal_page_last 356 _journal_volume 14 _journal_year 1976 _chemical_compound_source R110049 _chemical_formula_sum 'Al0.306 Ca0.158 Fe4.52 H2 K1.414 Mg0.11 Mn0.13 Na2.428 O24 Si7.84 Ti0.094' _chemical_name_mineral Arfvedsonite _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 104.101 _cell_angle_gamma 90 _cell_length_a 10.007 _cell_length_b 18.077 _cell_length_c 5.332 _cell_volume 935.477 _exptl_crystal_density_diffrn 3.545 _cod_original_formula_sum 'Si7.84 Al.306 Fe4.52 Ti.094 Mn.13 Mg.11 Na2.428 Ca.158 K1.414 O24 H2' _cod_database_code 9004105 _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 R110049.rod _rod_data_source.block 3500000 _rod_database.code 1000655 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 9004105 COD http://www.crystallography.net/cod/9004105.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 129.2086 0.0000000E+00 129.6907 6.028076 130.1729 11.60547 130.6550 17.17676 131.1371 12.26123 131.6192 3.751953 132.1013 1.620117 132.5834 2.114014 133.0656 1.333496 133.5477 1.514648 134.0298 0.4377440 134.5119 6.561523 134.9940 17.56055 135.4761 33.24829 135.9583 53.29834 136.4404 80.16064 136.9225 108.5190 137.4046 137.5862 137.8867 168.1914 138.3688 201.4214 138.8510 238.2168 139.3331 277.5366 139.8152 316.1335 140.2973 358.1943 140.7794 394.5020 141.2615 424.9814 141.7437 447.8948 142.2258 455.4822 142.7079 440.6377 143.1900 407.1226 143.6721 367.1230 144.1542 317.4653 144.6364 265.7788 145.1185 217.6641 145.6006 172.5295 146.0827 134.7146 146.5648 107.5608 147.0469 88.52344 147.5291 76.83740 148.0112 73.57349 148.4933 76.12036 148.9754 78.35034 149.4575 78.12622 149.9396 81.76318 150.4218 90.38892 150.9039 103.4656 151.3860 120.2998 151.8681 140.5894 152.3502 164.3806 152.8323 190.8940 153.3145 222.7927 153.7966 255.1724 154.2787 286.0913 154.7608 316.8276 155.2429 349.9661 155.7250 387.6763 156.2072 429.9883 156.6893 475.6672 157.1714 526.5430 157.6535 578.4849 158.1356 629.9089 158.6177 680.8193 159.0999 732.8884 159.5820 788.4341 160.0641 848.7356 160.5462 901.4817 161.0283 948.8574 161.5104 987.6555 161.9926 1016.477 162.4747 1035.050 162.9568 1041.434 163.4389 1032.028 163.9210 1007.221 164.4031 970.3025 164.8853 915.6440 165.3674 850.8232 165.8495 786.8833 166.3316 724.4656 166.8137 664.6169 167.2958 607.6633 167.7780 553.3716 168.2601 502.8577 168.7422 457.6838 169.2243 416.9629 169.7064 377.8494 170.1885 339.0569 170.6707 303.7104 171.1528 273.9282 171.6349 248.9849 172.1170 225.5378 172.5991 199.6873 173.0812 171.0461 173.5634 148.2798 174.0455 135.2498 174.5276 125.9456 175.0097 118.5046 175.4918 112.6804 175.9739 108.9617 176.4561 108.1138 176.9382 110.6887 177.4203 114.3467 177.9024 118.4949 178.3845 123.9871 178.8666 131.1875 179.3488 140.1731 179.8309 150.9954 180.3130 163.6091 180.7951 177.9666 181.2772 194.7056 181.7593 214.3210 182.2415 235.5840 182.7236 257.9546 183.2057 281.1821 183.6878 304.6343 184.1699 327.1765 184.6520 346.9548 185.1342 369.9822 185.6163 398.7834 186.0984 429.8296 186.5805 459.7939 187.0626 487.1887 187.5447 512.7729 188.0269 536.8528 188.5090 560.0808 188.9911 580.2163 189.4732 596.2344 189.9553 608.7419 190.4374 619.1633 190.9196 628.2280 191.4017 634.3281 191.8838 634.8579 192.3659 629.8516 192.8480 623.1594 193.3301 617.3884 193.8123 611.5383 194.2944 601.7493 194.7765 586.2073 195.2586 567.1079 195.7407 548.1113 196.2228 529.5977 196.7050 508.6248 197.1871 482.3345 197.6692 450.9651 198.1513 418.9241 198.6334 384.9907 199.1155 352.3235 199.5977 322.7866 200.0798 296.4297 200.5619 272.7063 201.0440 250.9863 201.5261 231.0190 202.0082 212.9666 202.4904 195.9927 202.9725 181.6157 203.4546 171.1902 203.9367 164.6438 204.4188 160.3352 204.9009 156.1936 205.3831 151.4900 205.8652 149.4204 206.3473 152.6987 206.8294 156.4551 207.3115 157.5708 207.7936 155.6714 208.2758 152.8657 208.7579 152.1282 209.2400 154.1492 209.7221 157.1196 210.2042 161.0085 210.6863 165.6477 211.1685 171.0217 211.6506 177.0867 212.1327 183.6860 212.6148 190.5864 213.0969 197.5186 213.5790 205.4250 214.0612 214.3904 214.5433 224.1514 215.0254 234.8467 215.5075 246.3735 215.9896 258.2214 216.4717 269.5925 216.9539 280.3689 217.4360 290.9456 217.9181 301.9932 218.4002 312.5291 218.8823 322.0046 219.3644 330.2681 219.8466 336.7388 220.3287 340.9460 220.8108 343.4417 221.2929 340.6760 221.7750 329.7144 222.2571 314.1492 222.7393 298.0400 223.2214 282.1770 223.7035 266.2781 224.1856 250.0681 224.6677 233.6331 225.1498 217.1538 225.6320 199.2429 226.1141 181.6694 226.5962 167.3508 227.0783 156.8865 227.5604 149.3440 228.0425 144.3115 228.5247 141.4141 229.0068 139.7175 229.4889 138.9524 229.9710 139.1741 230.4531 140.6199 230.9352 143.5925 231.4174 147.2615 231.8995 150.8962 232.3816 154.6243 232.8637 158.8789 233.3458 163.4636 233.8279 168.6907 234.3101 175.8777 234.7922 185.9827 235.2743 196.4810 235.7564 205.8262 236.2385 214.4343 236.7206 223.2039 237.2028 232.7368 237.6849 242.8035 238.1670 252.7764 238.6491 263.7859 239.1312 272.7690 239.6133 278.2231 240.0955 281.2161 240.5776 283.5632 241.0597 286.2598 241.5418 289.1660 242.0239 291.7866 242.5060 295.6167 242.9882 296.7932 243.4703 294.0396 243.9524 288.2686 244.4345 280.8770 244.9166 272.7595 245.3987 263.5327 245.8809 251.5520 246.3630 235.6162 246.8451 218.0767 247.3272 198.5967 247.8093 178.1313 248.2914 157.9626 248.7736 138.7673 249.2557 120.2854 249.7378 101.6140 250.2199 80.53687 250.7020 62.15161 251.1841 48.06836 251.6663 36.72607 252.1484 26.47803 252.6305 16.45801 253.1126 6.974121 253.5947 1.282471 254.0768 7.202148 254.5590 12.97827 255.0411 19.20557 255.5232 25.20020 256.0053 30.30469 256.4874 34.21387 256.9695 37.04028 257.4517 39.04785 257.9338 40.41748 258.4159 40.58008 258.8980 39.03638 259.3801 36.51392 259.8622 33.70923 260.3444 30.87305 260.8265 27.92017 261.3086 24.68140 261.7907 20.91772 262.2728 17.22290 262.7549 13.57080 263.2371 10.00342 263.7192 6.760498 264.2013 3.869873 264.6834 0.8107910 265.1655 3.293213 265.6476 9.182373 266.1298 14.31641 266.6119 18.12842 267.0940 21.48315 267.5761 25.14917 268.0582 29.29688 268.5403 33.64062 269.0225 37.90112 269.5046 42.11011 269.9867 46.03809 270.4688 50.28540 270.9509 53.88013 271.4330 55.08496 271.9152 53.90942 272.3973 53.53760 272.8794 57.58569 273.3615 66.45215 273.8436 72.78760 274.3257 74.21167 274.8079 74.67725 275.2900 77.09326 275.7721 81.60986 276.2542 87.14795 276.7363 93.17676 277.2184 99.61035 277.7006 105.8513 278.1827 111.1021 278.6648 116.7505 279.1469 124.2979 279.6290 133.4587 280.1111 141.8926 280.5933 147.6194 281.0754 151.7632 281.5575 158.2720 282.0396 169.0728 282.5217 179.8667 283.0038 187.8696 283.4860 193.4907 283.9681 198.9082 284.4502 205.0347 284.9323 211.6033 285.4144 217.8264 285.8965 223.1448 286.3787 229.4258 286.8608 238.7971 287.3429 250.2249 287.8250 259.8196 288.3071 265.5522 288.7892 269.9238 289.2714 276.7834 289.7535 286.3704 290.2356 295.8411 290.7177 303.8713 291.1998 310.7825 291.6819 317.5635 292.1641 324.5483 292.6462 331.1882 293.1283 337.4995 293.6104 343.4282 294.0925 347.1382 294.5746 347.4189 295.0568 345.0532 295.5389 341.5747 296.0210 337.2075 296.5031 331.5740 296.9852 324.0723 297.4673 315.0376 297.9495 304.8442 298.4316 293.4717 298.9137 281.1082 299.3958 267.5188 299.8779 252.2698 300.3600 237.8938 300.8422 226.7080 301.3243 217.5107 301.8064 208.6495 302.2885 199.9889 302.7706 191.1683 303.2527 181.3640 303.7349 170.4092 304.2170 160.2946 304.6991 152.3673 305.1812 145.6965 305.6633 138.8774 306.1454 131.4153 306.6276 124.6891 307.1097 120.4678 307.5918 118.5962 308.0739 116.0642 308.5560 111.4386 309.0381 106.1685 309.5203 101.6429 310.0024 97.78455 310.4845 95.07605 310.9666 94.66260 311.4487 95.63208 311.9308 94.66846 312.4130 90.11963 312.8951 84.93787 313.3772 82.11267 313.8593 81.31628 314.3414 80.32532 314.8235 77.79736 315.3057 74.35486 315.7878 71.67358 316.2699 70.36279 316.7520 69.03040 317.2341 65.91931 317.7162 62.01001 318.1984 59.50793 318.6805 60.14380 319.1626 62.25195 319.6447 62.89136 320.1268 61.61084 320.6089 61.14990 321.0911 63.87695 321.5732 68.17285 322.0553 71.94336 322.5374 75.00659 323.0195 77.17358 323.5016 77.72314 323.9838 76.51465 324.4659 75.28418 324.9480 74.03003 325.4301 73.62573 325.9122 75.43750 326.3943 79.99634 326.8765 84.35803 327.3586 85.96899 327.8407 85.34583 328.3228 85.34814 328.8049 86.82654 329.2870 88.86816 329.7692 90.93213 330.2513 92.95825 330.7334 93.89856 331.2155 91.94849 331.6976 88.66040 332.1797 88.24548 332.6619 92.23926 333.1440 96.01501 333.6261 94.57397 334.1082 89.89075 334.5903 86.54102 335.0724 85.47534 335.5546 86.70032 336.0367 91.31091 336.5188 99.68994 337.0009 107.1205 337.4830 109.7690 337.9651 110.0153 338.4473 112.3373 338.9294 117.7749 339.4115 124.4927 339.8936 131.3118 340.3757 138.2399 340.8578 145.1395 341.3400 151.9620 341.8221 158.7736 342.3042 165.2251 342.7863 170.8984 343.2684 178.4047 343.7505 190.3577 344.2327 205.0503 344.7148 218.0024 345.1969 227.6638 345.6790 237.0630 346.1611 249.6581 346.6432 264.9897 347.1254 281.9525 347.6075 301.3406 348.0896 321.6158 348.5717 341.1154 349.0538 359.8671 349.5359 376.9125 350.0181 390.8042 350.5002 402.2351 350.9823 414.7778 351.4644 428.5237 351.9465 443.2458 352.4286 460.4048 352.9108 479.1343 353.3929 495.3467 353.8750 506.8959 354.3571 514.5327 354.8392 520.4017 355.3214 524.7924 355.8035 527.2888 356.2856 527.7131 356.7677 526.1394 357.2498 522.6862 357.7319 517.3634 358.2141 510.2217 358.6962 500.9288 359.1783 489.2970 359.6604 476.7932 360.1425 462.2896 360.6246 447.7159 361.1068 435.2344 361.5889 424.8402 362.0710 414.7957 362.5531 403.2822 363.0352 390.4240 363.5173 380.6536 363.9995 375.9033 364.4816 371.9429 364.9637 366.5714 365.4458 360.3833 365.9279 355.0059 366.4100 351.2494 366.8922 348.9561 367.3743 347.7889 367.8564 347.2820 368.3385 348.4111 368.8206 353.5299 369.3027 359.4014 369.7849 361.8927 370.2670 359.9424 370.7491 356.0878 371.2312 353.8416 371.7133 354.0684 372.1954 353.3572 372.6776 351.5742 373.1597 349.0750 373.6418 346.6040 374.1239 343.7747 374.6060 339.0554 375.0881 330.9126 375.5703 319.5066 376.0524 309.2167 376.5345 301.5776 377.0166 293.2294 377.4987 282.6580 377.9808 271.0649 378.4630 260.0361 378.9451 250.3007 379.4272 241.7506 379.9093 234.3662 380.3914 230.2904 380.8735 223.5802 381.3557 211.8606 381.8378 199.2600 382.3199 188.8599 382.8020 180.9795 383.2841 173.9453 383.7662 165.8744 384.2484 156.5857 384.7305 147.2288 385.2126 137.7224 385.6947 128.2271 386.1768 118.1871 386.6589 108.2581 387.1411 99.72583 387.6232 93.49194 388.1053 88.82947 388.5874 83.18054 389.0695 75.91101 389.5516 69.21521 390.0338 63.28235 390.5159 58.25732 390.9980 54.58289 391.4801 52.31433 391.9622 50.36047 392.4443 47.18481 392.9265 42.69324 393.4086 38.35486 393.8907 34.70398 394.3728 30.97937 394.8549 26.52637 395.3370 21.68713 395.8192 17.60413 396.3013 14.97839 396.7834 13.47156 397.2655 12.56702 397.7476 12.70154 398.2297 12.24500 398.7119 9.945557 399.1940 6.893311 399.6761 4.367554 400.1582 2.729858 400.6403 1.536743 401.1224 0.4160160 401.6046 0.6535640 402.0867 1.612549 402.5688 2.452515 403.0509 3.160156 403.5330 3.799683 404.0151 4.380371 404.4973 4.667725 404.9794 4.048096 405.4615 3.211060 405.9436 3.573486 406.4257 5.415405 406.9078 7.427979 407.3900 8.885498 407.8721 9.599609 408.3542 9.009033 408.8363 5.423706 409.3184 1.978760 409.8005 1.292358 410.2827 2.576416 410.7648 3.067261 411.2469 1.511230 411.7290 1.439331 412.2111 4.419800 412.6932 7.407471 413.1754 10.45520 413.6575 13.65283 414.1396 16.85864 414.6217 19.93811 415.1038 22.85876 415.5859 25.73730 416.0681 28.84473 416.5502 32.31799 417.0323 34.10486 417.5144 32.27295 417.9965 31.03564 418.4786 32.30664 418.9608 35.40369 419.4429 38.69275 419.9250 41.30554 420.4071 43.93311 420.8892 48.66199 421.3713 59.26331 421.8535 66.01440 422.3356 66.66931 422.8177 65.12268 423.2998 63.88635 423.7819 63.54370 424.2640 63.81189 424.7462 64.53613 425.2283 65.76965 425.7104 66.58887 426.1925 66.97864 426.6746 66.92053 427.1567 66.36194 427.6389 65.36365 428.1210 63.90430 428.6031 61.88635 429.0852 59.75757 429.5673 58.55579 430.0494 58.58093 430.5316 58.43994 431.0137 58.11279 431.4958 57.30237 431.9779 55.81274 432.4600 53.62354 432.9421 50.81482 433.4243 47.12952 433.9064 42.80957 434.3885 38.83704 434.8706 35.20068 435.3527 32.00464 435.8348 29.67749 436.3170 27.75842 436.7991 25.39050 437.2812 22.07666 437.7633 18.67151 438.2454 16.15845 438.7275 14.36511 439.2097 12.07751 439.6918 8.532715 440.1739 4.864136 440.6560 2.978638 441.1381 2.927490 441.6202 2.860840 442.1024 2.476440 442.5845 1.703857 443.0666 0.2840580 443.5487 1.751953 444.0308 3.780273 444.5129 5.444214 444.9951 6.680420 445.4772 7.149658 445.9593 5.435303 446.4414 4.689575 446.9235 6.587036 447.4056 9.840454 447.8878 12.62708 448.3699 14.31396 448.8520 15.23413 449.3341 15.94836 449.8162 15.82288 450.2983 16.40137 450.7805 14.13770 451.2626 11.75513 451.7447 9.672729 452.2268 8.259399 452.7089 8.407227 453.1910 11.01929 453.6732 15.03906 454.1553 15.84558 454.6374 11.59644 455.1195 7.113037 455.6016 2.247192 456.0837 1.902466 456.5659 3.976563 457.0480 3.910889 457.5301 3.413208 458.0122 3.999390 458.4943 5.666992 458.9764 8.520264 459.4586 13.61646 459.9407 18.28027 460.4228 20.72339 460.9049 21.88660 461.3870 23.52734 461.8691 26.61719 462.3513 29.84131 462.8334 31.41504 463.3155 31.41150 463.7976 31.47705 464.2797 31.99060 464.7618 32.83838 465.2440 34.13562 465.7261 35.94897 466.2082 37.17944 466.6903 37.52747 467.1724 37.21106 467.6545 36.08557 468.1367 34.18530 468.6188 32.73218 469.1009 32.94470 469.5830 34.23950 470.0651 33.59106 470.5472 29.70435 471.0294 25.80481 471.5115 21.74683 471.9936 18.52112 472.4757 18.43115 472.9578 21.73975 473.4399 24.61487 473.9221 21.97449 474.4042 12.19373 474.8863 6.376343 475.3684 6.514404 475.8505 7.919556 476.3326 10.01807 476.8148 11.97412 477.2969 12.21472 477.7790 9.890015 478.2611 6.940674 478.7432 8.417847 479.2253 17.50476 479.7075 21.92334 480.1896 15.38379 480.6717 7.922974 481.1538 4.820923 481.6359 5.925293 482.1180 8.283325 482.6002 10.22498 483.0823 11.87854 483.5644 13.69299 484.0465 15.79041 484.5286 17.58191 485.0107 18.72034 485.4929 19.43884 485.9750 19.87341 486.4571 19.92322 486.9392 20.28491 487.4213 21.20374 487.9034 22.76489 488.3856 25.59021 488.8677 30.00452 489.3498 33.90442 489.8319 35.07031 490.3140 33.76160 490.7961 33.95093 491.2783 36.37585 491.7604 39.49707 492.2425 43.35291 492.7246 47.29077 493.2067 49.80444 493.6888 50.35925 494.1710 50.49890 494.6531 52.68787 495.1352 57.86755 495.6173 62.17285 496.0994 65.78125 496.5815 68.46924 497.0637 68.62695 497.5458 67.86450 498.0279 69.98474 498.5100 77.43433 498.9921 87.28796 499.4742 91.47839 499.9564 86.78357 500.4385 84.49609 500.9206 88.24780 501.4027 93.10535 501.8848 96.58606 502.3669 98.47058 502.8491 99.24182 503.3312 98.37634 503.8133 97.01880 504.2954 98.30994 504.7775 102.7305 505.2596 106.4822 505.7418 107.5203 506.2239 107.1731 506.7060 107.4579 507.1881 108.7627 507.6702 109.5786 508.1523 107.9586 508.6345 105.8419 509.1166 106.3711 509.5987 110.0054 510.0808 114.8741 510.5629 119.7161 511.0450 124.2719 511.5272 127.6681 512.0093 128.6766 512.4914 130.8724 512.9735 135.9960 513.4556 142.5792 513.9377 148.2698 514.4199 152.3994 514.9020 156.8965 515.3841 164.6508 515.8662 176.6262 516.3483 185.5204 516.8304 187.6648 517.3126 190.5045 517.7947 195.9630 518.2768 203.4468 518.7589 212.1392 519.2410 221.7606 519.7231 231.7357 520.2053 240.9252 520.6874 249.1451 521.1695 259.0502 521.6516 271.3909 522.1337 285.0634 522.6158 299.7777 523.0980 315.1300 523.5801 330.0198 524.0622 344.2893 524.5443 357.6469 525.0264 368.3580 525.5085 377.2823 525.9907 389.4094 526.4728 407.3293 526.9549 427.5017 527.4370 444.5364 527.9191 458.0073 528.4012 472.3215 528.8834 489.0801 529.3655 505.8369 529.8476 520.9683 530.3297 534.6687 530.8118 547.7437 531.2939 560.6582 531.7761 573.0549 532.2582 583.9897 532.7403 592.9026 533.2224 601.2058 533.7045 609.4714 534.1866 616.6963 534.6688 623.1682 535.1509 628.1580 535.6330 629.7391 536.1151 626.0833 536.5972 618.9573 537.0793 613.5037 537.5615 610.8469 538.0436 605.2549 538.5257 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