#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:01:57 +0300 (Thu, 26 Apr 2018) $ #$Revision: 615 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000153.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_1000153 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 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 R120157.rod _rod_data_source.block 3500000 _rod_database.code 1000153 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 93.97052 0.0000000E+00 94.45264 1.142731 94.93475 1.213135 95.41687 1.226257 95.89898 0.9475400 96.38110 0.8652650 96.86321 1.273346 97.34533 2.050781 97.82745 2.480621 98.30956 2.560669 98.79168 2.216217 99.27380 2.068848 99.75591 2.107605 100.2380 2.216125 100.7201 2.505402 101.2023 3.747772 101.6844 4.353424 102.1665 4.311096 102.6486 4.459106 103.1307 4.349701 103.6128 3.760162 104.0950 2.704987 104.5771 1.739471 105.0592 1.185822 105.5413 0.8794860 106.0234 0.6401060 106.5055 0.4161680 106.9877 0.2355650 107.4698 1.6170000E-03 107.9519 0.7115780 108.4340 1.121185 108.9161 0.7516480 109.3982 0.1959840 109.8804 1.159607 110.3625 1.578003 110.8446 1.272400 111.3267 1.698639 111.8088 3.404327 112.2909 5.320129 112.7731 7.095612 113.2552 8.605255 113.7373 9.827484 114.2194 10.72379 114.7015 11.26031 115.1836 11.43079 115.6658 11.16617 116.1479 10.59219 116.6300 9.732819 117.1121 8.573669 117.5942 7.316132 118.0763 6.507324 118.5584 6.378937 119.0406 6.106903 119.5227 5.259979 120.0048 4.054718 120.4869 3.080627 120.9690 2.619476 121.4511 2.573700 121.9333 2.643066 122.4154 2.908966 122.8975 3.148315 123.3796 3.045227 123.8617 2.525085 124.3438 2.264160 124.8260 2.623901 125.3081 3.403625 125.7902 4.537323 126.2723 6.076447 126.7544 7.857056 127.2365 9.476563 127.7187 10.75787 128.2008 12.19318 128.6829 13.96637 129.1650 15.95218 129.6471 17.99905 130.1292 20.03696 130.6114 22.05624 131.0935 23.89166 131.5756 25.68393 132.0577 27.15225 132.5398 28.12317 133.0219 28.68671 133.5041 29.06165 133.9862 29.44916 134.4683 29.88947 134.9504 30.00995 135.4325 29.98410 135.9146 29.58472 136.3968 28.58914 136.8789 27.01599 137.3610 25.13046 137.8431 23.16843 138.3252 21.04953 138.8073 19.34247 139.2895 18.36467 139.7716 17.69624 140.2537 16.78760 140.7358 15.46545 141.2179 14.13547 141.7000 13.43607 142.1821 13.30743 142.6643 13.13455 143.1464 12.54393 143.6285 11.67914 144.1106 11.06924 144.5927 10.93439 145.0748 10.99150 145.5570 10.92593 146.0391 10.73738 146.5212 10.64111 147.0033 10.88039 147.4854 11.50298 147.9675 12.05553 148.4497 12.20879 148.9318 12.43515 149.4139 12.97798 149.8960 13.88831 150.3781 15.06470 150.8602 16.36766 151.3424 17.88486 151.8245 19.51137 152.3066 20.96747 152.7887 22.52316 153.2708 24.43259 153.7529 26.78175 154.2351 29.44449 154.7172 32.05345 155.1993 34.89275 155.6814 37.26761 156.1635 39.02441 156.6456 40.35136 157.1278 41.52003 157.6099 42.68771 158.0920 43.70334 158.5741 43.88521 159.0562 43.23003 159.5383 41.92596 160.0205 39.70218 160.5026 36.83441 160.9847 33.89059 161.4668 31.14311 161.9489 28.60207 162.4310 26.35101 162.9131 24.42896 163.3953 22.73907 163.8774 21.24525 164.3595 19.94583 164.8416 18.87398 165.3237 18.18359 165.8058 17.67528 166.2880 16.94736 166.7701 15.67834 167.2522 14.50641 167.7343 14.25467 168.2164 15.12570 168.6985 15.88695 169.1807 15.72403 169.6628 15.06302 170.1449 14.33072 170.6270 13.59869 171.1091 12.93761 171.5912 12.54379 172.0734 12.52125 172.5555 12.60092 173.0376 12.63672 173.5197 12.69073 174.0018 12.86037 174.4839 13.22977 174.9661 13.76131 175.4482 14.22566 175.9303 14.68594 176.4124 14.98714 176.8945 15.02208 177.3766 14.87563 177.8588 14.69017 178.3409 14.56094 178.8230 14.48940 179.3051 14.48874 179.7872 14.72375 180.2693 14.86884 180.7515 14.70137 181.2336 14.33571 181.7157 14.09966 182.1978 14.32176 182.6799 15.10078 183.1620 15.33809 183.6441 14.71986 184.1263 13.97469 184.6084 13.45267 185.0905 13.15324 185.5726 12.86546 186.0547 12.39174 186.5368 11.69753 187.0190 11.08170 187.5011 10.59439 187.9832 10.15457 188.4653 9.652283 188.9474 9.088821 189.4296 8.653687 189.9117 8.644058 190.3938 9.039856 190.8759 9.124268 191.3580 8.424789 191.8401 7.561432 192.3223 7.341263 192.8044 7.957932 193.2865 8.674072 193.7686 8.745621 194.2507 8.334473 194.7328 7.827423 195.2150 7.247971 195.6971 6.662643 196.1792 6.190170 196.6613 5.829102 197.1434 5.614227 197.6255 5.641922 198.1077 5.829819 198.5898 5.978165 199.0719 6.056915 199.5540 6.028824 200.0361 5.674591 200.5182 4.624359 201.0004 3.768066 201.4825 3.769516 201.9646 4.340790 202.4467 4.767715 202.9288 4.448898 203.4109 3.440796 203.8930 2.727753 204.3752 2.579391 204.8573 2.477417 205.3394 2.263016 205.8215 1.941071 206.3036 1.551392 206.7857 1.111710 207.2679 0.6168060 207.7500 0.1772310 208.2321 0.4427030 208.7142 0.7823490 209.1963 0.4088900 209.6784 0.4332580 210.1606 1.104477 210.6427 0.9754490 211.1248 8.8486001E-02 211.6069 0.7391970 212.0890 0.7181240 212.5711 0.5658870 213.0533 0.4416660 213.5354 0.3706820 214.0175 0.3432460 214.4996 0.3701480 214.9817 0.4877930 215.4638 0.3660890 215.9460 0.3246610 216.4281 0.9053650 216.9102 0.9523930 217.3923 0.5331730 217.8744 3.7505999E-02 218.3565 0.2132260 218.8387 0.3207090 219.3208 5.1529001E-02 219.8029 1.454956 220.2850 2.874634 220.7671 3.708725 221.2492 3.928436 221.7314 3.835007 222.2135 3.633667 222.6956 3.353043 223.1777 3.313904 223.6598 3.655243 224.1419 4.044754 224.6240 4.288696 225.1062 4.391006 225.5883 4.451859 226.0704 4.503128 226.5525 4.557724 227.0346 4.712692 227.5167 5.019424 227.9989 5.368561 228.4810 5.726364 228.9631 6.109024 229.4452 6.388214 229.9273 6.348694 230.4094 6.100647 230.8916 5.981674 231.3737 6.170914 231.8558 6.460068 232.3379 6.546188 232.8200 6.371033 233.3021 6.309525 233.7843 6.737564 234.2664 7.421219 234.7485 8.000656 235.2306 8.274155 235.7127 8.498169 236.1948 9.064331 236.6770 10.05489 237.1591 11.05269 237.6412 11.91229 238.1233 12.64708 238.6054 13.22517 239.0875 13.57474 239.5697 13.84325 240.0518 14.22607 240.5339 14.68810 241.0160 15.40208 241.4981 16.73723 241.9802 18.21870 242.4624 19.38712 242.9445 20.06291 243.4266 20.42856 243.9087 20.75032 244.3908 20.97063 244.8729 21.30843 245.3550 21.98903 245.8372 22.71802 246.3193 23.26894 246.8014 23.56862 247.2835 23.62927 247.7656 23.40465 248.2477 22.69414 248.7299 22.18616 249.2120 22.35544 249.6941 22.54691 250.1762 22.18451 250.6583 21.10385 251.1404 19.69646 251.6226 18.62852 252.1047 18.14088 252.5868 17.46356 253.0689 16.42484 253.5510 15.27347 254.0331 14.12474 254.5153 13.03085 254.9974 12.04109 255.4795 11.19400 255.9616 10.37473 256.4437 10.00520 256.9258 10.57594 257.4080 11.16469 257.8901 11.11049 258.3722 10.32445 258.8543 9.226913 259.3364 8.373779 259.8185 7.828842 260.3007 7.401062 260.7828 6.972641 261.2649 6.705292 261.7470 6.810211 262.2291 7.247925 262.7112 7.717773 263.1934 7.853302 263.6755 7.505188 264.1576 7.361298 264.6397 7.728317 265.1218 8.004456 265.6039 7.750443 266.0861 7.016510 266.5682 6.225769 267.0503 5.822708 267.5324 5.866302 268.0145 5.941132 268.4966 6.247086 268.9788 6.390228 269.4609 6.086884 269.9430 5.429596 270.4251 4.701035 270.9072 4.118729 271.3893 3.690735 271.8715 3.258286 272.3536 2.624878 272.8357 2.169312 273.3178 2.347946 273.7999 2.900269 274.2820 3.022690 274.7642 2.069168 275.2463 0.1856540 275.7284 0.7302860 276.2105 1.6113000E-02 276.6926 0.7172850 277.1747 0.7454070 277.6568 0.3017270 278.1389 0.1100010 278.6211 0.2098690 279.1032 8.8134997E-02 279.5853 0.1283420 280.0674 0.6371610 280.5495 0.9228060 281.0316 0.5875090 281.5138 6.4285003E-02 281.9959 0.4725650 282.4780 0.3789980 282.9601 3.6621001E-02 283.4422 0.3258210 283.9243 0.5136720 284.4065 0.5654910 284.8886 0.3538820 285.3707 3.0594001E-02 285.8528 0.1414640 286.3349 5.5847000E-02 286.8170 7.8552000E-02 287.2992 0.1584630 287.7813 0.9675750 288.2634 1.448853 288.7455 1.172882 289.2276 0.6106410 289.7097 0.3389280 290.1919 0.4921420 290.6740 0.8291020 291.1561 1.057068 291.6382 1.148865 292.1203 1.352448 292.6024 1.731598 293.0846 2.208420 293.5667 2.812225 294.0488 3.540054 294.5309 4.066635 295.0130 3.989944 295.4951 3.302200 295.9773 3.142242 296.4594 3.937256 296.9415 4.997894 297.4236 5.934143 297.9057 6.704224 298.3878 7.170776 298.8700 7.092728 299.3521 6.606033 299.8342 6.585205 300.3163 7.414612 300.7984 8.349548 301.2805 9.059738 301.7627 9.530060 302.2448 9.705124 302.7269 9.426849 303.2090 8.929718 303.6911 8.927750 304.1732 9.765915 304.6554 10.52597 305.1375 10.68054 305.6196 10.42255 306.1017 10.30585 306.5838 10.59819 307.0659 11.05304 307.5481 11.16330 308.0302 10.87848 308.5123 10.44586 308.9944 9.894989 309.4765 9.325516 309.9586 8.860962 310.4408 8.497330 310.9229 8.326569 311.4050 8.645584 311.8871 9.487778 312.3692 10.00664 312.8513 9.863815 313.3335 9.391495 313.8156 8.925293 314.2977 8.505402 314.7798 8.165222 315.2619 7.934967 315.7440 7.819687 316.2262 7.814606 316.7083 8.056305 317.1904 8.311310 317.6725 8.307831 318.1546 8.065842 318.6367 7.954010 319.1188 8.286896 319.6010 8.950333 320.0831 9.356873 320.5652 9.500336 321.0473 9.408218 321.5294 8.915543 322.0115 8.155289 322.4937 7.605057 322.9758 7.528610 323.4579 7.757309 323.9400 7.854645 324.4221 7.740433 324.9042 7.685287 325.3864 7.821182 325.8685 8.078033 326.3506 8.337631 326.8327 8.570633 327.3148 8.763657 327.7969 8.884811 328.2791 8.926666 328.7612 8.961258 329.2433 9.079285 329.7254 9.162186 330.2075 9.019714 330.6896 8.619888 331.1718 8.192429 331.6539 7.933075 332.1360 7.859146 332.6181 7.966156 333.1002 8.510620 333.5823 8.976730 334.0645 9.046295 334.5466 8.726471 335.0287 8.386017 335.5108 8.293198 335.9929 8.393356 336.4750 8.363998 336.9572 8.125961 337.4393 7.873581 337.9214 7.724884 338.4035 7.613480 338.8856 7.368713 339.3677 6.893555 339.8499 6.266159 340.3320 5.754654 340.8141 5.395950 341.2962 5.020844 341.7783 4.586594 342.2604 4.138962 342.7426 3.716019 343.2247 3.332123 343.7068 3.055405 344.1889 3.022934 344.6710 3.418320 345.1531 3.493622 345.6353 2.925461 346.1174 2.253708 346.5995 1.933105 347.0816 1.971207 347.5637 2.047165 348.0458 1.880905 348.5280 1.457596 349.0101 1.140884 349.4922 0.8757480 349.9743 0.7476810 350.4564 1.019470 350.9385 1.466476 351.4207 1.518219 351.9028 0.7853850 352.3849 0.4676670 352.8670 1.101318 353.3491 0.6426240 353.8312 0.1585850 354.3134 0.3332670 354.7955 0.7495570 355.2776 0.9695740 355.7597 0.9536440 356.2418 0.8103030 356.7239 0.7268220 357.2061 0.7545320 357.6882 0.7376860 358.1703 0.5613250 358.6524 0.4283290 359.1345 0.5872650 359.6166 0.9867710 360.0987 1.278091 360.5808 1.087158 361.0630 0.3411870 361.5451 0.1885220 362.0272 0.4387820 362.5093 0.5566250 362.9914 0.4887080 363.4735 0.3312530 363.9557 0.2761380 364.4378 0.4590450 364.9199 0.7749180 365.4020 0.7558900 365.8841 3.8437001E-02 366.3662 0.5649870 366.8484 0.4201970 367.3305 0.1064760 367.8126 0.1993100 368.2947 0.8571780 368.7768 1.663544 369.2589 1.939606 369.7411 1.458908 370.2232 1.053131 370.7053 0.5910800 371.1874 0.3337710 371.6695 0.5565340 372.1516 1.166733 372.6338 1.766800 373.1159 1.979401 373.5980 1.818756 374.0801 1.775101 374.5622 1.963196 375.0443 2.130966 375.5265 2.190308 376.0086 2.177353 376.4907 2.126587 376.9728 2.026108 377.4549 1.964005 377.9370 2.184921 378.4192 2.827652 378.9013 3.358688 379.3834 3.565521 379.8655 3.646271 380.3476 3.756760 380.8297 3.927353 381.3119 4.052185 381.7940 4.010635 382.2761 3.805740 382.7582 3.561432 383.2403 3.166046 383.7224 2.898926 384.2046 3.026581 384.6867 3.445892 385.1688 3.783081 385.6509 3.774750 386.1330 3.554626 386.6151 3.396210 387.0973 3.280045 387.5794 3.298676 388.0615 3.687302 388.5436 4.196091 389.0257 4.423737 389.5078 4.125320 389.9900 3.839584 390.4721 4.225342 390.9542 5.164856 391.4363 5.704803 391.9184 5.442886 392.4005 4.744812 392.8827 4.030807 393.3648 3.268173 393.8469 2.789734 394.3290 2.821808 394.8111 3.190262 395.2932 3.715515 395.7754 4.404129 396.2575 4.954712 396.7396 5.060318 397.2217 4.745728 397.7038 4.495132 398.1859 4.341827 398.6681 4.236496 399.1501 4.165558 399.6323 4.125748 400.1144 4.105377 400.5965 4.111084 401.0786 4.109924 401.5607 4.019791 402.0428 3.703735 402.5250 3.578400 403.0071 3.916458 403.4892 4.384827 403.9713 4.611038 404.4534 4.510178 404.9355 4.199890 405.4177 3.772736 405.8998 3.153763 406.3819 2.838928 406.8640 3.092361 407.3461 3.361130 407.8282 3.369217 408.3104 3.165665 408.7925 2.921509 409.2746 2.741776 409.7567 2.632538 410.2388 2.578247 410.7209 2.792099 411.2031 2.880768 411.6852 2.687210 412.1673 2.416687 412.6494 2.277176 413.1315 2.309784 413.6136 2.362381 414.0958 2.165176 414.5779 1.532471 415.0600 1.346298 415.5421 2.165405 416.0242 2.922821 416.5063 3.142700 416.9885 2.965302 417.4706 2.761673 417.9527 2.739227 418.4348 2.896484 418.9169 3.305405 419.3990 4.175293 419.8812 4.782898 420.3633 4.490265 420.8454 4.087341 421.3275 4.439331 421.8096 5.766449 422.2917 7.172089 422.7739 7.765350 423.2560 7.590164 423.7381 7.175797 424.2202 6.292542 424.7023 5.507156 425.1844 5.300812 425.6666 5.564072 426.1487 5.863617 426.6308 6.066940 427.1129 6.168213 427.5950 6.063004 428.0771 5.725647 428.5593 5.623383 429.0414 6.167831 429.5235 7.035400 430.0056 7.481735 430.4877 7.361038 430.9698 7.142181 431.4520 7.025620 431.9341 6.980118 432.4162 6.961655 432.8983 6.969208 433.3804 6.940201 433.8625 6.796783 434.3447 6.523834 434.8268 6.221893 435.3089 5.789719 435.7910 5.417236 436.2731 5.299438 436.7552 5.366943 437.2374 5.373032 437.7195 5.169907 438.2016 4.807587 438.6837 4.480682 439.1658 4.202255 439.6479 3.942734 440.1301 3.694839 440.6122 3.470139 441.0943 3.281357 441.5764 3.132355 442.0585 3.020004 442.5406 2.947968 443.0227 2.924515 443.5049 2.882309 443.9870 2.805801 444.4691 2.727936 444.9512 2.704193 445.4333 2.677948 445.9154 2.540070 446.3976 2.225296 446.8797 1.822540 447.3618 1.539612 447.8439 1.429443 448.3260 1.281189 448.8081 0.9401700 449.2903 0.6322020 449.7724 0.5390320 450.2545 0.6504210 450.7366 0.7720340 451.2187 0.7523800 451.7008 0.6186680 452.1830 0.5000150 452.6651 0.4286500 453.1472 0.2974400 453.6293 8.6425997E-02 454.1114 0.5397800 454.5935 0.7834170 455.0757 0.7101140 455.5578 0.5096440 456.0399 0.2431640 456.5220 4.2709000E-02 457.0041 9.7411998E-02 457.4862 0.2398220 457.9684 0.6401980 458.4505 0.6069950 458.9326 0.1446690 459.4147 0.1978450 459.8968 0.2069240 460.3789 0.1416170 460.8611 0.2645570 461.3432 0.5483400 461.8253 0.7638550 462.3074 0.7639620 462.7895 0.5959010 463.2716 0.4505920 463.7538 0.3902440 464.2359 0.2704620 464.7180 8.5845999E-02 465.2001 0.4251100 465.6822 0.4379730 466.1643 9.1980003E-02 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