#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:59:32 +0300 (Thu, 24 May 2018) $ #$Revision: 847 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000334.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_1000334 loop_ _publ_author_name 'Moore, P. B.' 'Davis, A. M.' 'Van Derveer, D. G.' 'Sen Gutpa, P. K.' _publ_section_title ; Joesmithite, a plumbous amphibole revisited and comments on bond valences Locality: Langban, Sweden ; _journal_name_full 'Mineralogy and Petrology' _journal_page_first 97 _journal_page_last 113 _journal_paper_doi 10.1007/BF01163090 _journal_volume 48 _journal_year 1993 _chemical_compound_source R120157 _chemical_formula_sum 'Be1.694 Ca1.9 Fe2.449 H2 K0.072 Mg2.551 Na0.1 O24 Pb0.928 Si6.306' _chemical_name_mineral Joesmithite _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2ya' _symmetry_space_group_name_H-M 'P 1 2/a 1' _cell_angle_alpha 90 _cell_angle_beta 105.95 _cell_angle_gamma 90 _cell_length_a 9.915 _cell_length_b 17.951 _cell_length_c 5.243 _cell_volume 897.246 _exptl_crystal_density_diffrn 3.889 _cod_original_formula_sum '(Pb.928 K.072) Mg2.551 Fe2.449 (Ca1.9 Na.1) Si6.306 Be1.694 O24 H2' _cod_database_code 9012396 _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 other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _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 R120157.rod _rod_data_source.block 3500000 _rod_database.code 1000334 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 9012396 COD http://www.crystallography.net/cod/9012396.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 99.90765 0.0000000E+00 100.3898 0.8194430 100.8719 0.6208800 101.3540 0.1427610 101.8361 0.3905940 102.3182 0.1833800 102.8004 0.4209140 103.2825 1.308014 103.7646 2.586960 104.2467 4.327698 104.7288 6.334961 105.2109 8.116623 105.6931 9.381027 106.1752 10.87311 106.6573 13.00208 107.1394 16.29480 107.6215 19.26663 108.1036 21.71675 108.5858 23.76715 109.0679 26.02611 109.5500 28.29031 110.0321 30.90613 110.5142 34.02582 110.9963 37.92621 111.4785 42.00702 111.9606 46.24828 112.4427 50.64600 112.9248 55.00319 113.4069 59.53040 113.8890 63.88959 114.3712 67.87274 114.8533 71.80156 115.3354 74.99249 115.8175 77.18698 116.2996 78.40012 116.7817 78.94670 117.2639 78.89804 117.7460 78.29552 118.2281 77.18806 118.7102 75.37140 119.1923 73.21129 119.6744 70.84200 120.1566 68.20630 120.6387 65.65321 121.1208 63.11685 121.6029 60.80510 122.0850 59.17285 122.5671 58.80469 123.0493 59.05841 123.5314 59.27557 124.0135 59.29480 124.4956 59.37396 124.9777 59.66891 125.4598 60.19095 125.9420 60.99774 126.4241 61.92236 126.9062 63.18164 127.3883 65.18979 127.8704 68.11865 128.3525 71.71005 128.8347 75.71588 129.3168 80.12997 129.7989 84.63718 130.2810 89.03830 130.7631 93.34033 131.2452 97.78748 131.7274 102.5544 132.2095 107.4517 132.6916 112.0930 133.1737 116.5593 133.6558 120.4489 134.1379 123.5619 134.6201 125.9010 135.1022 127.4138 135.5843 128.2579 136.0664 128.3286 136.5485 126.4651 137.0306 122.2453 137.5128 117.0512 137.9949 112.6107 138.4770 109.1949 138.9591 105.0655 139.4412 99.19492 139.9233 91.40366 140.4055 85.03799 140.8876 80.47687 141.3697 76.92792 141.8518 72.98917 142.3339 68.30084 142.8160 64.05185 143.2982 60.68256 143.7803 58.36877 144.2624 56.50583 144.7445 55.37616 145.2266 54.60870 145.7087 53.36237 146.1909 51.22620 146.6730 49.12186 147.1551 47.37579 147.6372 45.97305 148.1193 44.99478 148.6014 44.61215 149.0836 44.68085 149.5657 44.69391 150.0478 44.38931 150.5299 44.23395 151.0120 44.43521 151.4941 45.03979 151.9763 45.92795 152.4584 47.10623 152.9405 48.68475 153.4226 50.72195 153.9047 52.83398 154.3868 55.44089 154.8690 58.76025 155.3511 63.82761 155.8332 68.56741 156.3153 72.27652 156.7974 74.99878 157.2795 77.75809 157.7617 81.43832 158.2438 84.94519 158.7259 87.27228 159.2080 88.18762 159.6901 87.91852 160.1722 86.27853 160.6544 83.31213 161.1365 79.88016 161.6186 76.02203 162.1007 71.96628 162.5828 67.83679 163.0649 63.47577 163.5471 59.24783 164.0292 55.37173 164.5113 51.85187 164.9934 48.37695 165.4755 44.34152 165.9576 40.35895 166.4398 37.23279 166.9219 36.04333 167.4040 35.22168 167.8861 33.57486 168.3682 30.98087 168.8503 28.66400 169.3325 27.38309 169.8146 26.90247 170.2967 26.84756 170.7788 27.58093 171.2609 28.37555 171.7430 28.42581 172.2252 27.60660 172.7073 26.77347 173.1894 26.50262 173.6715 26.72952 174.1536 27.29395 174.6357 28.44025 175.1179 29.75623 175.6000 30.65854 176.0821 31.01431 176.5642 31.37570 177.0463 32.27426 177.5284 33.62378 178.0106 35.13782 178.4927 36.87088 178.9748 38.63223 179.4569 40.03690 179.9390 41.03403 180.4211 41.79947 180.9033 42.55435 181.3854 43.28210 181.8675 43.87527 182.3496 44.29752 182.8317 44.54239 183.3138 44.64368 183.7960 44.62497 184.2781 44.39310 184.7602 43.86084 185.2423 43.01474 185.7244 41.79065 186.2065 39.92075 186.6887 37.58313 187.1708 35.48175 187.6529 33.78683 188.1350 32.15466 188.6171 29.94376 189.0992 27.15063 189.5814 24.36255 190.0635 21.92972 190.5456 19.80142 191.0277 17.82648 191.5098 15.94662 191.9919 14.25348 192.4741 13.04071 192.9562 12.32748 193.4383 11.75735 193.9204 11.08603 194.4025 10.32553 194.8846 9.703918 195.3668 9.276459 195.8489 8.968079 196.3310 8.556152 196.8131 8.010193 197.2952 7.583862 197.7773 7.595490 198.2595 8.066193 198.7416 8.107452 199.2237 7.485504 199.7058 6.477142 200.1879 5.904907 200.6700 5.860077 201.1522 5.831696 201.6343 5.483734 202.1164 4.800476 202.5985 3.944244 203.0806 2.871033 203.5627 1.678284 204.0449 0.7237550 204.5270 7.0129000E-02 205.0091 0.5580140 205.4912 1.443604 205.9733 2.693054 206.4554 3.543182 206.9376 3.810944 207.4197 3.643860 207.9018 3.602966 208.3839 3.720612 208.8660 3.877594 209.3481 3.977966 209.8303 3.991211 210.3124 4.093811 210.7945 4.398071 211.2766 4.786621 211.7587 4.774780 212.2408 4.285858 212.7230 3.549683 213.2051 2.647034 213.6872 1.477722 214.1693 0.5159610 214.6514 8.4197998E-02 215.1335 0.4314270 215.6157 1.027374 216.0978 1.962463 216.5799 2.972534 217.0620 3.877533 217.5441 4.605347 218.0262 5.450165 218.5084 6.526855 218.9905 7.758820 219.4726 8.648804 219.9547 8.968536 220.4368 9.366150 220.9189 10.34683 221.4011 12.31876 221.8832 13.79971 222.3653 14.44312 222.8474 14.49734 223.3295 15.23874 223.8116 16.91788 224.2938 18.90753 224.7759 20.87131 225.2580 22.85703 225.7401 24.60327 226.2222 25.92026 226.7043 26.99445 227.1865 28.68976 227.6686 31.23627 228.1507 34.00616 228.6328 36.64810 229.1149 39.24527 229.5970 41.36795 230.0792 42.79767 230.5613 43.75150 231.0434 45.04138 231.5255 46.93179 232.0076 48.74579 232.4897 50.11758 232.9719 50.96637 233.4540 51.53845 233.9361 51.53479 234.4182 51.29916 234.9003 52.10941 235.3824 54.64584 235.8646 57.23416 236.3467 59.00864 236.8288 59.49237 237.3109 60.22726 237.7930 61.29630 238.2751 62.63486 238.7573 63.94485 239.2394 64.85504 239.7215 66.26227 240.2036 68.69089 240.6857 72.80310 241.1678 76.40485 241.6500 79.29166 242.1321 81.70422 242.6142 84.30701 243.0963 87.15680 243.5784 90.09686 244.0605 93.08127 244.5427 96.29404 245.0248 99.14169 245.5069 101.6600 245.9890 103.8127 246.4711 105.5096 246.9532 106.8691 247.4354 107.6181 247.9175 107.6122 248.3996 106.7255 248.8817 105.5469 249.3638 104.2092 249.8459 102.5167 250.3281 100.0795 250.8102 96.71335 251.2923 92.91437 251.7744 88.69034 252.2565 83.88956 252.7386 79.47702 253.2208 75.47452 253.7029 71.84769 254.1850 68.50803 254.6671 65.56915 255.1492 62.66409 255.6313 59.62231 256.1135 56.36069 256.5956 53.54849 257.0777 51.25833 257.5598 49.36667 258.0419 47.76117 258.5240 46.56091 259.0062 45.39279 259.4883 44.07883 259.9704 42.60492 260.4525 41.55655 260.9346 41.10425 261.4167 40.88220 261.8989 40.38000 262.3810 39.30283 262.8631 38.77872 263.3452 39.31091 263.8273 40.88306 264.3094 41.55978 264.7916 41.07245 265.2737 40.23917 265.7558 39.88016 266.2379 40.20941 266.7200 40.29208 267.2021 39.91055 267.6843 39.11002 268.1664 38.29947 268.6485 37.49442 269.1306 36.60889 269.6127 35.56094 270.0948 34.31439 270.5770 33.21637 271.0591 32.44934 271.5412 31.88150 272.0233 30.75366 272.5054 28.93759 272.9875 26.86688 273.4697 24.85501 273.9518 22.90356 274.4339 20.83942 274.9160 18.55978 275.3981 16.21222 275.8802 14.19070 276.3624 12.55099 276.8445 11.15311 277.3266 10.06345 277.8087 9.331116 278.2908 8.095520 278.7729 6.052887 279.2551 3.750000 279.7372 2.629700 280.2193 2.859680 280.7014 3.169098 281.1835 2.801971 281.6656 1.771362 282.1478 0.9654240 282.6299 0.4626770 283.1120 0.1072690 283.5941 0.3695070 284.0762 0.9770810 284.5583 1.557373 285.0405 2.138214 285.5226 2.681671 286.0047 2.791534 286.4868 2.401672 286.9689 1.794586 287.4510 1.333649 287.9332 1.006592 288.4153 0.6558530 288.8974 0.2082210 289.3795 0.3021850 289.8616 0.7697140 290.3438 1.185730 290.8259 1.558197 291.3080 1.802368 291.7901 1.963501 292.2722 2.327057 292.7543 3.056122 293.2365 4.006653 293.7186 4.769470 294.2007 5.334015 294.6828 6.030731 295.1649 7.237762 295.6470 8.833221 296.1292 10.45685 296.6113 11.94528 297.0934 13.41190 297.5755 15.19815 298.0576 17.31335 298.5397 19.33923 299.0219 20.86606 299.5040 22.13297 299.9861 23.54089 300.4682 25.14682 300.9503 26.91907 301.4324 29.02316 301.9146 31.35434 302.3967 33.50159 302.8788 35.18137 303.3609 36.51602 303.8430 37.60214 304.3251 38.41470 304.8073 39.13507 305.2894 40.11847 305.7715 41.15683 306.2536 41.77414 306.7357 41.49045 307.2178 40.76688 307.7000 39.97125 308.1821 39.10184 308.6642 38.40897 309.1463 38.36414 309.6284 38.56726 310.1105 38.39471 310.5927 37.27582 311.0748 35.90833 311.5569 34.80750 312.0390 33.98325 312.5211 33.05789 313.0032 31.43829 313.4854 29.73978 313.9675 28.63788 314.4496 28.88257 314.9317 29.30884 315.4138 29.33090 315.8959 29.02570 316.3781 28.85199 316.8602 29.33444 317.3423 29.84360 317.8244 29.85800 318.3065 28.56503 318.7886 27.76489 319.2708 28.62057 319.7529 30.50317 320.2350 31.64786 320.7171 30.61188 321.1992 29.38315 321.6813 28.99170 322.1635 29.96393 322.6456 30.85806 323.1277 31.36874 323.6098 31.63113 324.0919 31.87515 324.5740 31.95844 325.0562 32.18304 325.5383 32.81180 326.0204 34.12796 326.5025 34.72452 326.9846 34.03452 327.4667 32.78174 327.9489 31.72748 328.4310 31.02646 328.9131 30.37195 329.3952 29.76468 329.8773 29.21198 330.3594 28.50354 330.8416 27.46021 331.3237 26.42316 331.8058 25.67081 332.2879 25.59027 332.7700 25.09991 333.2521 23.85672 333.7343 22.08679 334.2164 20.94904 334.6985 20.83469 335.1806 20.75275 335.6627 20.20306 336.1448 19.14642 336.6270 17.66190 337.1091 15.45340 337.5912 13.03860 338.0733 11.60718 338.5554 11.45657 339.0375 11.36740 339.5197 10.81116 340.0018 9.758392 340.4839 8.815704 340.9660 8.019165 341.4481 7.285553 341.9302 6.511292 342.4124 5.683655 342.8945 4.947906 343.3766 4.433716 343.8587 4.067505 344.3408 3.349030 344.8229 2.242859 345.3051 1.122314 345.7872 0.2733760 346.2693 0.3066710 346.7514 0.6102290 347.2335 0.5423280 347.7156 0.3141480 348.1978 0.3669740 348.6799 0.6797790 349.1620 0.9721370 349.6441 1.011719 350.1262 0.8847660 350.6083 0.8143010 351.0905 0.8378910 351.5726 0.8681030 352.0547 0.7499080 352.5368 0.5450440 353.0189 0.4342040 353.5010 0.8171390 353.9832 1.207123 354.4653 0.7850040 354.9474 0.5236820 355.4295 1.602722 355.9116 1.219940 356.3937 0.1141050 356.8759 0.6029360 357.3580 0.4580990 357.8401 0.1455690 358.3222 1.283417 358.8043 2.816559 359.2864 3.840637 359.7686 3.332886 360.2507 2.396118 360.7328 2.022217 361.2149 2.840332 361.6970 3.547119 362.1791 3.400085 362.6613 2.748505 363.1434 2.399872 363.6255 2.936401 364.1076 3.567139 364.5897 3.894745 365.0718 3.752228 365.5540 3.706085 366.0361 3.998413 366.5182 4.391724 367.0003 4.602295 367.4824 4.452454 367.9645 4.273376 368.4467 4.065155 368.9288 3.824341 369.4109 3.848785 369.8930 4.433746 370.3751 5.067322 370.8572 5.359192 371.3394 4.690979 371.8215 4.769928 372.3036 6.182037 372.7857 8.417328 373.2678 9.626709 373.7499 9.417877 374.2321 8.888123 374.7142 8.496613 375.1963 8.239532 375.6784 8.106293 376.1605 8.079254 376.6426 8.194244 377.1248 8.527313 377.6069 9.105988 378.0890 9.760071 378.5711 10.50790 379.0532 11.30685 379.5353 11.74081 380.0175 11.76672 380.4996 11.67206 380.9817 11.76211 381.4638 12.00372 381.9459 12.08990 382.4280 11.87888 382.9102 11.58270 383.3923 11.76947 383.8744 12.37210 384.3565 12.70850 384.8386 12.09824 385.3207 10.94467 385.8029 10.03098 386.2850 9.407166 386.7671 9.123322 387.2492 9.414398 387.7313 10.08908 388.2134 10.70676 388.6956 11.06805 389.1777 11.27875 389.6598 11.34891 390.1419 11.29849 390.6240 11.38571 391.1061 12.09064 391.5883 12.88751 392.0704 13.17316 392.5525 12.17819 393.0346 11.48932 393.5167 12.18011 393.9988 13.78516 394.4810 14.99805 394.9631 14.66681 395.4452 14.37396 395.9273 15.06549 396.4094 17.29803 396.8915 19.07385 397.3737 19.65512 397.8558 19.70245 398.3379 20.02927 398.8200 20.89722 399.3021 21.84949 399.7842 22.89700 400.2664 24.03259 400.7485 24.84253 401.2306 24.98111 401.7127 25.11572 402.1948 25.72495 402.6769 27.26755 403.1591 28.28595 403.6412 28.55945 404.1233 28.30212 404.6054 28.03909 405.0875 27.71909 405.5696 27.60883 406.0518 27.89465 406.5339 28.61432 407.0160 28.74332 407.4981 28.25333 407.9802 27.43497 408.4623 26.41794 408.9445 25.19705 409.4266 24.44180 409.9087 24.46860 410.3908 24.91083 410.8729 24.79803 411.3550 24.13284 411.8372 23.38495 412.3193 22.93503 412.8014 22.73416 413.2835 22.46802 413.7656 21.97934 414.2477 21.64072 414.7299 22.03763 415.2120 22.96417 415.6941 23.81430 416.1762 24.15927 416.6583 24.35214 417.1404 24.60907 417.6226 24.94510 418.1047 25.54660 418.5868 26.80966 419.0689 28.24948 419.5510 29.41995 420.0331 30.13699 420.5153 30.63715 420.9974 30.79105 421.4795 30.77606 421.9616 31.03522 422.4437 32.03952 422.9258 33.05072 423.4080 33.70343 423.8901 33.82120 424.3722 34.18918 424.8543 35.13641 425.3364 36.24432 425.8185 37.08884 426.3007 37.38831 426.7828 37.86432 427.2649 38.73526 427.7470 39.90314 428.2291 40.74243 428.7112 41.16949 429.1934 41.39420 429.6755 41.45026 430.1576 41.23788 430.6397 41.42966 431.1218 42.22473 431.6039 43.12674 432.0861 43.32581 432.5682 42.78351 433.0503 42.04523 433.5324 41.25687 434.0145 40.42453 434.4966 39.59619 434.9788 38.77838 435.4609 37.86826 435.9430 36.70447 436.4251 35.36877 436.9072 34.13107 437.3893 33.10178 437.8715 32.00479 438.3536 30.28702 438.8357 28.20807 439.3178 26.49228 439.7999 25.95166 440.2820 25.65665 440.7642 24.64212 441.2463 22.83932 441.7284 21.19897 442.2105 20.56140 442.6926 20.16721 443.1747 19.27255 443.6569 17.13327 444.1390 15.10922 444.6211 13.69110 445.1032 12.71698 445.5853 11.76944 446.0674 10.67871 446.5496 9.676971 447.0317 8.893616 447.5138 8.441040 447.9959 7.856476 448.4780 7.063080 448.9601 6.201965 449.4423 5.385254 449.9244 4.597778 450.4065 3.918304 450.8886 3.349670 451.3707 2.903412 451.8528 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