#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:01:17 +0300 (Thu, 26 Apr 2018) $ #$Revision: 605 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000144.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_1000144 loop_ _publ_author_name 'Biagioni, C.' 'Merlino, S.' 'Parodi, G. C.' 'Perchiazzi, N.' _publ_section_title ; Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 593 _journal_page_last 609 _journal_paper_doi 10.3749/canmin.50.3.593 _journal_volume 50 _journal_year 2012 _chemical_compound_source 'the nepheline syenites of the Los Archipelago, Guinea' _chemical_formula_sum 'Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733' _chemical_name_mineral Lavenite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _cell_angle_alpha 90 _cell_angle_beta 108.392 _cell_angle_gamma 90 _cell_length_a 10.8475 _cell_length_b 9.9364 _cell_length_c 7.1488 _cell_volume 731.175 _exptl_crystal_density_diffrn 3.607 _cod_original_formula_sum 'Zr.733 Ti.477 Mn.79 (Ca.82 Na1.18) Si2 O7.75 F1.25' _cod_database_code 9014318 _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 R120044.rod _rod_data_source.block 3500000 _rod_database.code 1000144 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 9014318 COD http://www.crystallography.net/cod/9014318.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 105.1028 0.0000000E+00 105.5849 0.4963990 106.0670 7.6782003E-02 106.5491 0.3010860 107.0313 1.7792000E-02 107.5134 0.8727420 107.9955 2.076233 108.4776 3.318329 108.9597 4.548218 109.4418 5.814056 109.9240 7.013519 110.4061 8.266815 110.8882 9.573669 111.3703 10.90945 111.8524 12.42154 112.3345 14.56015 112.8167 17.92407 113.2988 21.14621 113.7809 23.92709 114.2630 26.46100 114.7451 29.10995 115.2272 32.11188 115.7094 35.43597 116.1915 37.91541 116.6736 39.04276 117.1557 39.99249 117.6378 40.97098 118.1199 42.06268 118.6021 43.43817 119.0842 45.33374 119.5663 47.77719 120.0484 49.68674 120.5305 50.55392 121.0126 51.20535 121.4948 52.51740 121.9769 54.67337 122.4590 56.76541 122.9411 57.69455 123.4232 57.74268 123.9053 57.62418 124.3875 57.52219 124.8696 57.42465 125.3517 57.26605 125.8338 56.95667 126.3159 56.69669 126.7980 56.60001 127.2802 56.65884 127.7623 56.82794 128.2444 57.17892 128.7265 57.75589 129.2086 58.03204 129.6907 57.55374 130.1729 57.05591 130.6550 57.01575 131.1371 57.42438 131.6192 57.80759 132.1013 57.45209 132.5834 55.82285 133.0656 54.47299 133.5477 53.19946 134.0298 52.28348 134.5119 52.16180 134.9940 52.93073 135.4761 54.06668 135.9583 54.36093 136.4404 52.89429 136.9225 51.68137 137.4046 51.15955 137.8867 50.88422 138.3688 50.11237 138.8510 48.39334 139.3331 46.18414 139.8152 45.04132 140.2973 45.66629 140.7794 46.09821 141.2615 45.46747 141.7437 43.96600 142.2258 42.22156 142.7079 40.38864 143.1900 38.55920 143.6721 36.88010 144.1542 35.44016 144.6364 34.15613 145.1185 32.96094 145.6006 31.84485 146.0827 30.73987 146.5648 29.64325 147.0469 28.48380 147.5291 27.29840 148.0112 26.10645 148.4933 24.91452 148.9754 23.70331 149.4575 22.31396 149.9396 21.20822 150.4218 20.69873 150.9039 20.46878 151.3860 20.08215 151.8681 19.24081 152.3502 18.01627 152.8323 17.08047 153.3145 16.81210 153.7966 16.48441 154.2787 15.88876 154.7608 15.11212 155.2429 14.37897 155.7250 13.89575 156.2072 13.70935 156.6893 13.02390 157.1714 11.11987 157.6535 9.462921 158.1356 8.787567 158.6177 9.004883 159.0999 9.474518 159.5820 9.603668 160.0641 9.312042 160.5462 9.284180 161.0283 9.945618 161.5104 10.57382 161.9926 10.51474 162.4747 9.691681 162.9568 8.545990 163.4389 7.838013 163.9210 7.549744 164.4031 7.343842 164.8853 7.307495 165.3674 7.284302 165.8495 7.033051 166.3316 6.477875 166.8137 5.802612 167.2958 5.041901 167.7780 4.251251 168.2601 3.740112 168.7422 3.917175 169.2243 4.562592 169.7064 4.744568 170.1885 4.064667 170.6707 3.268433 171.1528 2.860687 171.6349 2.782440 172.1170 2.748840 172.5991 2.461639 173.0812 1.895416 173.5634 1.620331 174.0455 2.205383 174.5276 2.658569 175.0097 2.474731 175.4918 1.701508 175.9739 0.7501830 176.4561 6.4606003E-02 176.9382 0.2815860 177.4203 0.6216130 177.9024 1.117249 178.3845 1.488190 178.8666 1.567596 179.3488 1.343781 179.8309 0.9079590 180.3130 0.3274230 180.7951 0.7364500 181.2772 1.094116 181.7593 0.2839660 182.2415 0.8331600 182.7236 1.710205 183.2057 2.191315 183.6878 2.352295 184.1699 2.293427 184.6520 1.908997 185.1342 1.465729 185.6163 0.7283330 186.0984 3.1280998E-02 186.5805 0.1594850 187.0626 0.3196410 187.5447 1.018646 188.0269 1.159119 188.5090 0.6647340 188.9911 7.4828997E-02 189.4732 0.7102360 189.9553 1.484802 190.4374 1.778961 190.9196 1.302032 191.4017 0.6506040 191.8838 0.7857670 192.3659 1.742340 192.8480 2.634857 193.3301 2.940796 193.8123 2.835663 194.2944 2.991119 194.7765 3.791718 195.2586 4.651154 195.7407 4.811401 196.2228 4.249390 196.7050 3.910828 197.1871 4.610229 197.6692 6.257019 198.1513 7.758301 198.6334 8.955414 199.1155 9.971558 199.5977 10.82034 200.0798 11.51743 200.5619 12.27121 201.0440 13.36728 201.5261 14.88333 202.0082 16.18454 202.4904 16.99472 202.9725 17.65494 203.4546 18.31680 203.9367 19.03973 204.4188 19.82849 204.9009 20.57263 205.3831 21.11017 205.8652 22.04803 206.3473 23.93454 206.8294 25.81430 207.3115 27.12137 207.7936 27.74988 208.2758 27.95523 208.7579 28.06250 209.2400 27.77594 209.7221 28.14722 210.2042 29.74896 210.6863 31.55161 211.1685 32.81631 211.6506 33.32449 212.1327 33.39886 212.6148 33.67215 213.0969 34.23004 213.5790 34.93024 214.0612 36.12134 214.5433 37.23361 215.0254 37.72333 215.5075 37.49042 215.9896 36.98734 216.4717 36.84918 216.9539 37.25516 217.4360 37.64871 217.9181 38.01721 218.4002 38.37180 218.8823 38.80106 219.3644 39.32767 219.8466 39.72211 220.3287 39.60028 220.8108 38.85898 221.2929 38.21091 221.7750 37.90570 222.2571 37.68481 222.7393 37.14713 223.2214 36.16382 223.7035 35.14584 224.1856 34.66898 224.6677 34.68497 225.1498 34.73975 225.6320 34.92664 226.1141 35.03247 226.5962 34.59027 227.0783 33.36270 227.5604 32.06021 228.0425 31.55234 228.5247 31.64407 229.0068 31.51498 229.4889 30.59677 229.9710 29.26144 230.4531 28.43854 230.9352 28.50641 231.4174 28.47787 231.8995 27.36945 232.3816 25.53754 232.8637 23.95529 233.3458 23.25504 233.8279 23.18198 234.3101 22.90146 234.7922 22.34241 235.2743 21.64078 235.7564 20.86679 236.2385 20.02820 236.7206 19.12631 237.2028 18.07434 237.6849 16.96661 238.1670 16.22595 238.6491 16.18881 239.1312 15.99722 239.6133 15.17892 240.0955 13.99161 240.5776 12.88226 241.0597 12.16281 241.5418 11.74454 242.0239 11.15656 242.5060 10.20361 242.9882 9.369781 243.4703 8.963837 243.9524 8.721771 244.4345 8.182098 244.9166 6.992218 245.3987 5.390594 245.8809 4.632813 246.3630 5.658752 246.8451 6.385681 247.3272 6.055634 247.8093 5.271332 248.2914 4.965149 248.7736 5.707153 249.2557 7.038727 249.7378 7.045532 250.2199 4.071472 250.7020 1.766449 251.1841 0.9372860 251.6663 0.9151610 252.1484 0.9228820 252.6305 0.5852360 253.1126 2.6946999E-02 253.5947 0.3693240 254.0768 0.6629030 254.5590 0.6730040 255.0411 4.7610002E-03 255.5232 0.8027650 256.0053 1.113403 256.4874 0.6585390 256.9695 0.2722780 257.4517 0.9792790 257.9338 1.390015 258.4159 1.627258 258.8980 1.719635 259.3801 1.629639 259.8622 1.214752 260.3444 0.4378360 260.8265 0.4281620 261.3086 0.8589170 261.7907 0.4536740 262.2728 0.2169190 262.7549 0.2814330 263.2371 0.4590760 263.7192 0.5208740 264.2013 0.4121700 264.6834 0.3252260 265.1655 0.5788880 265.6476 1.435730 266.1298 1.986938 266.6119 2.205505 267.0940 2.122345 267.5761 1.476410 268.0582 0.2674870 268.5403 0.6650090 269.0225 0.2170720 269.5046 2.055481 269.9867 3.817291 270.4688 4.727539 270.9509 5.286224 271.4330 5.920532 271.9152 6.678741 272.3973 7.339050 272.8794 7.616699 273.3615 7.483215 273.8436 7.660797 274.3257 8.360931 274.8079 9.237946 275.2900 9.921509 275.7721 10.43100 276.2542 11.22717 276.7363 12.77502 277.2184 14.96396 277.7006 16.80472 278.1827 18.08145 278.6648 19.12891 279.1469 20.04166 279.6290 20.86118 280.1111 21.86816 280.5933 23.29785 281.0754 25.02762 281.5575 26.59140 282.0396 27.78101 282.5217 29.05130 283.0038 30.90372 283.4860 33.17490 283.9681 34.98920 284.4502 35.74643 284.9323 36.00220 285.4144 36.91049 285.8965 38.60281 286.3787 40.55685 286.8608 42.46692 287.3429 44.35443 287.8250 46.50320 288.3071 49.23798 288.7892 52.08066 289.2714 54.35773 289.7535 56.04221 290.2356 57.50433 290.7177 58.85123 291.1998 60.10422 291.6819 61.32761 292.1641 62.51498 292.6462 63.71863 293.1283 65.03424 293.6104 66.44196 294.0925 67.79626 294.5746 69.10190 295.0568 70.29977 295.5389 71.21674 296.0210 71.75287 296.5031 72.24405 296.9852 73.15424 297.4673 74.29105 297.9495 75.07666 298.4316 74.89365 298.9137 74.41434 299.3958 74.86328 299.8779 76.51410 300.3600 77.88242 300.8422 77.62512 301.3243 76.44852 301.8064 75.52344 302.2885 75.25235 302.7706 75.18466 303.2527 74.82050 303.7349 74.14444 304.2170 73.36380 304.6991 72.60837 305.1812 71.77139 305.6633 70.64993 306.1454 69.07608 306.6276 67.57736 307.1097 66.78711 307.5918 66.65234 308.0739 66.19620 308.5560 65.06577 309.0381 63.43549 309.5203 61.51132 310.0024 59.25854 310.4845 57.03421 310.9666 55.00632 311.4487 53.18826 311.9308 51.72272 312.4130 50.93799 312.8951 50.15976 313.3772 48.73904 313.8593 46.71558 314.3414 44.48981 314.8235 42.03000 315.3057 39.50574 315.7878 37.36084 316.2699 35.73929 316.7520 34.30783 317.2341 33.05399 317.7162 31.84607 318.1984 30.29773 318.6805 27.74045 319.1626 24.97803 319.6447 23.55402 320.1268 23.79718 320.6089 23.79410 321.0911 21.99170 321.5732 19.38205 322.0553 17.38495 322.5374 16.59802 323.0195 15.99493 323.5016 14.16089 323.9838 11.05005 324.4659 8.908081 324.9480 9.414795 325.4301 10.74216 325.9122 10.50241 326.3943 8.313202 326.8765 5.991882 327.3586 4.919891 327.8407 4.833527 328.3228 4.668518 328.8049 4.206299 329.2870 3.551086 329.7692 2.742126 330.2513 1.800476 330.7334 0.9974370 331.2155 0.5432740 331.6976 0.3169560 332.1797 5.9905998E-02 332.6619 0.2341920 333.1440 0.6181950 333.6261 1.268433 334.1082 2.056671 334.5903 2.655701 335.0724 2.930023 335.5546 2.979675 336.0367 2.852539 336.5188 2.525055 337.0009 2.294495 337.4830 2.415619 337.9651 2.723755 338.4473 2.906433 338.9294 2.885315 339.4115 2.801819 339.8936 2.803345 340.3757 2.864380 340.8578 2.775543 341.3400 2.347107 341.8221 1.844238 342.3042 1.705536 342.7863 2.001312 343.2684 2.240967 343.7505 2.337402 344.2327 2.196411 344.7148 1.457794 345.1969 0.1369320 345.6790 1.850281 346.1611 2.748199 346.6432 2.960938 347.1254 3.153564 347.6075 3.760345 348.0896 4.310669 348.5717 3.891571 349.0538 2.375732 349.5359 1.306213 350.0181 2.155701 350.5002 4.471191 350.9823 6.001343 351.4644 5.944183 351.9465 5.644043 352.4286 6.014557 352.9108 6.942535 353.3929 7.915619 353.8750 8.724304 354.3571 9.378418 354.8392 9.873444 355.3214 10.04074 355.8035 10.43115 356.2856 11.32376 356.7677 12.55527 357.2498 13.89960 357.7319 15.32788 358.2141 16.66843 358.6962 17.60397 359.1783 18.01306 359.6604 18.79971 360.1425 20.48563 360.6246 22.34387 361.1068 23.59927 361.5889 24.22559 362.0710 24.83511 362.5531 26.00644 363.0352 27.72272 363.5173 28.91833 363.9995 29.23825 364.4816 29.45032 364.9637 29.59409 365.4458 29.89709 365.9279 31.01099 366.4100 33.38690 366.8922 36.53522 367.3743 38.80698 367.8564 39.66583 368.3385 40.47742 368.8206 41.45044 369.3027 42.44806 369.7849 43.21741 370.2670 43.70282 370.7491 44.24622 371.2312 45.41733 371.7133 47.74023 372.1954 48.96509 372.6776 48.03268 373.1597 46.97083 373.6418 47.08472 374.1239 48.29587 374.6060 49.72101 375.0881 50.65869 375.5703 51.12964 376.0524 51.99594 376.5345 54.08191 377.0166 55.62811 377.4987 55.86258 377.9808 55.41113 378.4630 55.23685 378.9451 55.78647 379.4272 56.69852 379.9093 57.08585 380.3914 56.44632 380.8735 56.11346 381.3557 56.13269 381.8378 56.43576 382.3199 57.20221 382.8020 58.32651 383.2841 59.25449 383.7662 59.27774 384.2484 58.22174 384.7305 57.47427 385.2126 57.46799 385.6947 57.35440 386.1768 56.77380 386.6589 55.88144 387.1411 54.97424 387.6232 54.17746 388.1053 53.57230 388.5874 53.53806 389.0695 54.55838 389.5516 55.21310 390.0338 55.07123 390.5159 54.52383 390.9980 53.89172 391.4801 53.25229 391.9622 52.54102 392.4443 51.64697 392.9265 50.55927 393.4086 49.63669 393.8907 49.02063 394.3728 48.53778 394.8549 48.08707 395.3370 47.65060 395.8192 47.25339 396.3013 47.08087 396.7834 46.98227 397.2655 46.31284 397.7476 44.79156 398.2297 43.41122 398.7119 42.86481 399.1940 42.75052 399.6761 42.53693 400.1582 42.00259 400.6403 41.43884 401.1224 41.23804 401.6046 41.37952 402.0867 41.40347 402.5688 41.17514 403.0509 40.82962 403.5330 40.33264 404.0151 39.66324 404.4973 39.42224 404.9794 40.43494 405.4615 41.88959 405.9436 42.19791 406.4257 41.05905 406.9078 39.74179 407.3900 39.37677 407.8721 39.75021 408.3542 39.66949 408.8363 38.42487 409.3184 37.27344 409.8005 37.24872 410.2827 38.05301 410.7648 38.60486 411.2469 38.37219 411.7290 37.73050 412.2111 37.56241 412.6932 38.09561 413.1754 38.45355 413.6575 38.45694 414.1396 38.22696 414.6217 37.77151 415.1038 37.13251 415.5859 36.60281 416.0681 36.48636 416.5502 36.82181 417.0323 37.18518 417.5144 37.66440 417.9965 38.07422 418.4786 38.49066 418.9608 38.76566 419.4429 38.57324 419.9250 37.72559 420.4071 36.47992 420.8892 35.45706 421.3713 33.42252 421.8535 33.69983 422.3356 38.91495 422.8177 44.55560 423.2998 47.07422 423.7819 46.10144 424.2640 43.56036 424.7462 41.25998 425.2283 39.18506 425.7104 37.44345 426.1925 36.01965 426.6746 34.99362 427.1567 34.53238 427.6389 34.44531 428.1210 34.46051 428.6031 34.44983 429.0852 34.46817 429.5673 34.71793 430.0494 35.37436 430.5316 35.63776 431.0137 35.07285 431.4958 34.20377 431.9779 33.15793 432.4600 32.01480 432.9421 31.18243 433.4243 31.34146 433.9064 32.15024 434.3885 31.99377 434.8706 30.41595 435.3527 28.75659 435.8348 27.80640 436.3170 27.36191 436.7991 27.14957 437.2812 27.17639 437.7633 27.31360 438.2454 27.68134 438.7275 28.17160 439.2097 27.89575 439.6918 26.20401 440.1739 24.12549 440.6560 23.28937 441.1381 23.72849 441.6202 24.23956 442.1024 24.50690 442.5845 24.66534 443.0666 25.01865 443.5487 25.54889 444.0308 25.63065 444.5129 24.62708 444.9951 22.71658 445.4772 21.58710 445.9593 21.97903 446.4414 22.18130 446.9235 21.22525 447.4056 19.86862 447.8878 19.50153 448.3699 20.57098 448.8520 22.13336 449.3341 22.68674 449.8162 21.60138 450.2983 21.29715 450.7805 22.77258 451.2626 23.99728 451.7447 23.63431 452.2268 22.12292 452.7089 20.79242 453.1910 20.55008 453.6732 21.10205 454.1553 21.23514 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