#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:45:28 +0300 (Thu, 26 Apr 2018) $ #$Revision: 564 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000109.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_1000109 loop_ _publ_author_name 'Kolitsch, U.' 'Holtstam, D.' _publ_section_title ; Barysilite from Garpenberg Norra, Dalarna, Sweden: occurrence and crystal structure refinement Locality: Garpenberg Nora mine, Dalarna, Sweden ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 353 _journal_page_last 363 _journal_paper_doi 10.1180/0026461026620034 _journal_volume 66 _journal_year 2002 _chemical_compound_source R100057 _chemical_formula_sum 'Ca0.182 Mn O21 Pb7.818 Si6' _chemical_name_mineral Barysilite _space_group_IT_number 167 _symmetry_space_group_name_Hall '-R 3 2"c' _symmetry_space_group_name_H-M 'R -3 c :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 9.804 _cell_length_b 9.804 _cell_length_c 38.416 _cell_volume 3197.786 _exptl_crystal_density_diffrn 6.813 _cod_original_sg_symbol_H-M 'R -3 c' _cod_original_formula_sum 'Pb7.818 Ca.182 Mn Si6 O21' _cod_database_code 9011818 _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 R100057.rod _rod_data_source.block 3500000 _rod_database.code 1000109 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 9011818 COD http://www.crystallography.net/cod/9011818.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 91.53320 0.0000000E+00 92.01532 0.2315060 92.49744 6.1096001E-02 92.97955 7.701294 93.46167 15.21405 93.94379 17.48700 94.42590 17.33380 94.90802 17.08368 95.39014 17.55090 95.87225 18.27936 96.35437 21.02338 96.83649 25.69250 97.31860 32.89148 97.80072 43.55774 98.28284 57.39062 98.76495 73.70300 99.24707 92.68652 99.72919 112.8517 100.2113 137.9342 100.6934 170.6810 101.1755 208.7850 101.6577 248.2351 102.1398 287.3380 102.6219 328.4919 103.1040 355.0076 103.5861 369.2352 104.0682 372.1370 104.5504 362.1465 105.0325 339.9887 105.5146 309.6954 105.9967 276.0492 106.4788 236.2180 106.9609 199.6385 107.4431 165.3900 107.9252 134.5300 108.4073 108.9371 108.8894 89.13281 109.3715 74.04919 109.8536 62.39789 110.3358 53.92914 110.8179 47.34537 111.3000 42.33591 111.7821 38.78107 112.2642 35.91055 112.7463 33.99921 113.2285 32.60229 113.7106 31.30426 114.1927 30.24332 114.6748 29.31485 115.1569 28.40808 115.6390 27.75311 116.1212 27.16077 116.6033 26.39471 117.0854 25.47464 117.5675 24.60394 118.0496 23.71790 118.5317 22.88132 119.0139 22.49577 119.4960 22.60794 119.9781 23.06152 120.4602 23.31808 120.9423 22.96724 121.4244 22.39093 121.9066 21.73128 122.3887 20.88170 122.8708 19.76698 123.3529 18.72641 123.8350 17.56168 124.3171 15.91380 124.7993 13.97842 125.2814 12.41820 125.7635 11.95631 126.2456 12.91435 126.7277 13.44693 127.2098 13.43373 127.6920 13.21893 128.1741 13.12442 128.6562 13.21269 129.1383 13.44362 129.6204 13.77109 130.1025 14.17395 130.5847 14.73254 131.0668 15.53726 131.5489 16.53299 132.0310 17.57541 132.5131 18.83160 132.9952 19.86729 133.4774 20.42584 133.9595 20.49797 134.4416 20.10529 134.9237 19.22942 135.4058 17.83441 135.8879 16.12550 136.3701 13.60426 136.8522 11.12984 137.3343 9.290726 137.8164 8.201553 138.2985 7.477432 138.7806 6.417282 139.2628 4.748703 139.7449 3.234329 140.2270 1.870743 140.7091 0.6886140 141.1912 0.2553100 141.6733 0.9271550 142.1555 1.403549 142.6376 1.917542 143.1197 2.564987 143.6018 3.146423 144.0839 3.524910 144.5660 3.838135 145.0482 4.313263 145.5303 5.093887 146.0124 6.141037 146.4945 7.187180 146.9766 8.392899 147.4587 9.449486 147.9409 10.18114 148.4230 10.63068 148.9051 10.98656 149.3872 9.647820 149.8693 8.285110 150.3514 6.944603 150.8336 5.790039 151.3157 4.580711 151.7978 3.141487 152.2799 1.480354 152.7620 0.4503560 153.2441 2.798042 153.7263 5.436981 154.2084 8.226242 154.6905 10.94985 155.1726 13.81168 155.6547 17.31487 156.1368 21.64363 156.6190 26.33166 157.1011 30.96136 157.5832 35.68753 158.0653 40.85899 158.5474 46.59953 159.0295 52.92287 159.5117 60.01383 159.9938 68.15568 160.4759 76.96885 160.9580 86.42912 161.4401 96.43730 161.9222 106.7487 162.4044 117.0493 162.8865 127.2473 163.3686 138.3304 163.8507 151.1738 164.3328 164.1391 164.8149 176.6160 165.2971 188.5683 165.7792 199.9717 166.2613 210.8538 166.7434 220.9026 167.2255 231.2371 167.7076 242.1215 168.1898 253.1078 168.6719 263.9982 169.1540 274.7499 169.6361 285.0835 170.1182 294.5371 170.6003 302.5701 171.0825 311.1088 171.5646 320.1838 172.0467 329.8058 172.5288 339.9946 173.0109 350.7595 173.4930 362.0492 173.9752 374.0430 174.4573 386.7617 174.9394 399.5615 175.4215 412.2262 175.9036 424.8936 176.3857 437.6990 176.8679 450.6773 177.3500 464.0741 177.8321 478.2025 178.3142 493.1547 178.7963 508.1542 179.2784 522.5217 179.7606 536.4902 180.2427 551.0309 180.7248 567.1028 181.2069 583.2478 181.6890 598.6442 182.1711 613.3365 182.6533 626.0627 183.1354 635.9023 183.6175 642.9191 184.0996 646.6898 184.5817 647.2388 185.0638 644.1115 185.5460 636.6464 186.0281 624.7070 186.5102 608.5856 186.9923 588.1423 187.4744 562.0076 187.9565 534.9576 188.4387 506.5061 188.9208 478.0756 189.4029 450.7498 189.8850 424.7342 190.3671 399.9498 190.8492 375.6960 191.3314 351.5074 191.8135 329.1741 192.2956 308.6617 192.7777 289.9159 193.2598 273.1074 193.7419 258.3217 194.2241 245.0977 194.7062 232.3867 195.1883 219.9701 195.6704 208.4026 196.1525 197.7537 196.6346 187.9775 197.1168 179.1151 197.5989 171.2049 198.0810 164.0201 198.5631 156.9628 199.0452 149.7251 199.5273 142.9953 200.0095 136.9788 200.4916 131.5505 200.9737 126.5304 201.4558 121.8795 201.9379 117.4985 202.4200 112.9428 202.9022 107.9129 203.3843 103.2076 203.8664 99.20578 204.3485 95.74581 204.8306 92.43232 205.3127 89.18616 205.7949 85.94176 206.2770 82.50050 206.7591 78.65639 207.2412 75.14387 207.7233 72.45634 208.2054 70.48364 208.6876 68.61282 209.1697 66.68163 209.6518 64.67553 210.1339 62.54726 210.6160 60.20417 211.0981 58.06637 211.5803 56.49503 212.0624 55.47286 212.5445 54.63994 213.0266 54.14895 213.5087 53.61814 213.9908 52.60054 214.4730 50.95845 214.9551 49.25426 215.4372 48.13732 215.9193 47.68340 216.4014 47.35496 216.8836 47.16518 217.3657 46.95851 217.8478 46.58190 218.3299 45.99810 218.8120 45.38711 219.2941 44.92241 219.7763 44.51785 220.2584 44.47276 220.7405 45.10908 221.2226 45.93253 221.7047 46.64639 222.1868 47.16389 222.6690 47.53407 223.1511 47.79821 223.6332 47.83877 224.1153 48.05382 224.5974 48.73193 225.0795 49.41190 225.5617 49.63543 226.0438 49.31554 226.5259 48.87752 227.0080 49.12403 227.4901 50.70673 227.9722 51.81415 228.4544 52.05900 228.9365 52.03218 229.4186 52.15985 229.9007 52.57728 230.3828 53.21228 230.8649 53.92177 231.3471 54.63428 231.8292 55.54087 232.3113 56.82764 232.7934 58.20876 233.2755 59.44879 233.7576 60.44844 234.2398 61.26287 234.7219 62.02100 235.2040 62.77545 235.6861 63.46685 236.1682 64.02309 236.6503 64.51688 237.1325 65.03392 237.6146 65.59418 238.0967 66.13802 238.5788 66.59686 239.0609 67.04999 239.5430 67.22803 240.0252 66.74665 240.5073 66.14568 240.9894 66.11798 241.4715 66.82246 241.9536 67.58115 242.4357 67.36505 242.9179 65.84402 243.4000 64.92845 243.8821 65.37888 244.3642 66.21642 244.8463 66.33282 245.3284 65.49528 245.8106 64.32756 246.2927 63.47503 246.7748 62.95252 247.2569 62.72825 247.7390 62.98878 248.2211 63.40015 248.7033 63.53416 249.1854 63.29726 249.6675 63.06413 250.1496 63.29201 250.6317 63.90623 251.1138 64.40671 251.5960 64.63519 252.0781 64.72285 252.5602 64.86129 253.0423 65.08652 253.5244 65.24429 254.0065 65.12900 254.4887 64.82817 254.9708 64.57014 255.4529 64.66671 255.9350 64.73338 256.4171 64.13332 256.8992 62.72834 257.3813 61.22472 257.8635 60.23227 258.3456 59.47366 258.8277 58.46580 259.3098 57.09661 259.7919 55.40200 260.2740 53.34879 260.7562 50.85830 261.2383 48.35281 261.7204 46.11266 262.2025 43.98446 262.6846 41.75857 263.1667 39.35553 263.6489 36.85505 264.1310 34.30085 264.6131 31.64802 265.0952 29.13594 265.5773 26.80026 266.0594 24.70556 266.5416 23.01332 267.0237 21.86378 267.5058 20.86651 267.9879 19.39728 268.4700 17.31010 268.9521 15.44575 269.4343 14.25945 269.9164 13.32682 270.3985 12.32663 270.8806 11.16714 271.3627 10.07473 271.8448 9.419598 272.3270 9.317722 272.8091 9.027828 273.2912 8.177570 273.7733 7.200138 274.2554 6.300755 274.7375 5.518654 275.2197 4.883842 275.7018 4.460903 276.1839 4.285820 276.6660 4.091133 277.1481 3.894524 277.6302 3.627937 278.1124 3.207970 278.5945 2.654327 279.0766 2.109142 279.5587 1.706810 280.0408 1.454449 280.5229 1.269661 281.0051 1.164845 281.4872 1.125080 281.9693 1.220093 282.4514 1.396683 282.9335 1.499619 283.4156 1.398697 283.8978 1.091866 284.3799 0.6697010 284.8620 0.2538760 285.3441 0.8846320 285.8262 0.6989820 286.3083 1.7969999E-03 286.7905 0.5333600 287.2726 0.3818550 287.7547 0.3730430 288.2368 0.9249650 288.7189 1.056213 289.2010 1.234486 289.6832 1.772797 290.1653 2.402187 290.6474 2.667728 291.1295 2.247398 291.6116 1.368988 292.0938 0.9894220 292.5759 1.592445 293.0580 2.019203 293.5401 1.977757 294.0222 1.682236 294.5043 1.327858 294.9865 0.9944190 295.4686 0.7400590 295.9507 0.7364350 296.4328 1.208130 296.9149 1.530674 297.3970 1.590237 297.8792 1.514202 298.3613 1.364811 298.8434 1.173519 299.3255 1.016678 299.8076 1.066433 300.2897 1.542118 300.7719 1.713692 301.2540 1.317421 301.7361 0.8250500 302.2182 0.4835130 302.7003 0.3579640 303.1824 0.4208640 303.6646 0.7372130 304.1467 1.526112 304.6288 1.745487 305.1109 0.9186550 305.5930 2.2880999E-02 306.0751 0.6907230 306.5573 1.072262 307.0394 1.346622 307.5215 1.694717 308.0036 2.139332 308.4857 2.333683 308.9678 1.956730 309.4500 1.635544 309.9321 1.555099 310.4142 1.669605 310.8963 1.838581 311.3784 1.952290 311.8605 2.045143 312.3427 2.398838 312.8248 3.616123 313.3069 4.376717 313.7890 4.122627 314.2711 3.379261 314.7532 2.797737 315.2354 2.698875 315.7175 2.983807 316.1996 3.401070 316.6817 4.175049 317.1638 4.715752 317.6459 4.874767 318.1281 4.848366 318.6102 4.735283 319.0923 4.587303 319.5744 4.529331 320.0565 4.806168 320.5386 5.621685 321.0208 6.303818 321.5029 6.855415 321.9850 7.267044 322.4671 7.496807 322.9492 7.560921 323.4313 7.550079 323.9135 7.583439 324.3956 7.705315 324.8777 7.636497 325.3598 7.101120 325.8419 6.629517 326.3240 6.471405 326.8062 6.555168 327.2883 6.648529 327.7704 6.560436 328.2525 6.306129 328.7346 6.160694 329.2167 6.256351 329.6989 6.318844 330.1810 6.341232 330.6631 6.278278 331.1452 6.032211 331.6273 5.526688 332.1094 4.887661 332.5916 4.524792 333.0737 4.637321 333.5558 4.698559 334.0379 4.630657 334.5200 4.472733 335.0021 4.210640 335.4843 3.846531 335.9664 3.511967 336.4485 3.473766 336.9306 3.902462 337.4127 4.115368 337.8948 3.903255 338.3770 3.584911 338.8591 3.330757 339.3412 3.157372 339.8233 2.992279 340.3055 2.755810 340.7876 2.436031 341.2697 2.133270 341.7518 1.836308 342.2339 1.640411 342.7160 1.542503 343.1982 1.526638 343.6803 1.615265 344.1624 1.821972 344.6445 2.084427 345.1266 2.338081 345.6087 2.715141 346.0909 2.930351 346.5730 2.788692 347.0551 2.490334 347.5372 2.277962 348.0193 2.250565 348.5014 2.355671 348.9836 2.515652 349.4657 2.764534 349.9478 3.055161 350.4299 3.403641 350.9120 3.655859 351.3941 3.693607 351.8763 3.527279 352.3584 3.344090 352.8405 3.309666 353.3226 3.421265 353.8047 3.617935 354.2868 3.938774 354.7690 4.289219 355.2511 4.606430 355.7332 4.891956 356.2153 5.172817 356.6974 5.526966 357.1795 5.898582 357.6617 6.033394 358.1438 5.802303 358.6259 5.551949 359.1080 5.523216 359.5901 5.623161 360.0722 5.684566 360.5544 5.599751 361.0365 5.485085 361.5186 5.482018 362.0007 5.567467 362.4828 5.806095 362.9649 6.514008 363.4471 7.284492 363.9292 7.569973 364.4113 7.215267 364.8934 6.795536 365.3755 6.751602 365.8576 7.031128 366.3398 7.345642 366.8219 7.631638 367.3040 7.930153 367.7861 8.286957 368.2682 8.697895 368.7503 9.128616 369.2325 9.652752 369.7146 10.16429 370.1967 10.46230 370.6788 10.51484 371.1609 10.46517 371.6430 10.26574 372.1252 10.03955 372.6073 10.20871 373.0894 11.39157 373.5715 12.54496 374.0536 12.68596 374.5357 11.97129 375.0179 11.31136 375.5000 11.11641 375.9821 11.28968 376.4642 11.61459 376.9463 12.20557 377.4284 12.66672 377.9106 12.83197 378.3927 12.77544 378.8748 12.55207 379.3569 12.14942 379.8390 11.79982 380.3211 11.86542 380.8033 12.45764 381.2854 12.80222 381.7675 12.67850 382.2496 12.40643 382.7317 12.19923 383.2138 12.08154 383.6960 12.03745 384.1781 12.07960 384.6602 12.19238 385.1423 12.14648 385.6244 11.86330 386.1065 11.54193 386.5887 11.28831 387.0708 11.03427 387.5529 10.64297 388.0350 10.04955 388.5171 9.336714 388.9992 8.683327 389.4814 8.140465 389.9635 7.585714 390.4456 7.041979 390.9277 6.471731 391.4098 5.820120 391.8919 5.095657 392.3741 4.364931 392.8562 3.691891 393.3383 3.068293 393.8204 2.552580 394.3025 2.208725 394.7846 1.897461 395.2668 1.549538 395.7489 1.200907 396.2310 0.9284710 396.7131 0.7809940 397.1952 0.7282050 397.6773 0.6820280 398.1595 0.7949160 398.6416 0.6431750 399.1237 4.4323001E-02 399.6058 0.8527890 400.0879 1.489416 400.5700 1.865383 401.0522 1.978016 401.5343 1.704088 402.0164 0.9219780 402.4985 0.4870910 402.9806 0.7387010 403.4627 1.067917 403.9449 1.247343 404.4270 1.292873 404.9091 1.288347 405.3912 1.265335 405.8733 1.240252 406.3554 1.312187 406.8376 1.606522 407.3197 1.681641 407.8018 1.149292 408.2839 0.4106220 408.7660 0.1209340 409.2481 0.3322510 409.7303 0.4442010 410.2124 0.7462460 410.6945 1.211645 411.1766 1.378033 411.6587 0.8794710 412.1408 0.4071330 412.6230 0.6601490 413.1051 1.551039 413.5872 2.464100 414.0693 3.105246 414.5514 3.623823 415.0335 4.285152 415.5157 5.122179 415.9978 5.893574 416.4799 6.391411 416.9620 6.709923 417.4441 7.152843 417.9262 7.776348 418.4084 8.466175 418.8905 9.148355 419.3726 9.844740 419.8547 10.61786 420.3368 11.49759 420.8189 12.43639 421.3011 13.37256 421.7832 14.33039 422.2653 15.18140 422.7474 15.90244 423.2295 16.51690 423.7116 17.02005 424.1938 17.42607 424.6759 17.78171 425.1580 18.08875 425.6401 18.36556 426.1222 18.98018 426.6043 20.30499 427.0865 21.47930 427.5686 22.17690 428.0507 22.63414 428.5328 23.17812 429.0149 23.93642 429.4970 24.83267 429.9792 25.77068 430.4613 26.94281 430.9434 27.71998 431.4255 27.87342 431.9076 27.90940 432.3897 28.11724 432.8719 28.47651 433.3540 28.80758 433.8361 28.97008 434.3182 28.98098 434.8003 28.96814 435.2824 28.99804 435.7646 28.89072 436.2467 28.72710 436.7288 28.36797 437.2109 27.59226 437.6930 26.32617 438.1751 24.90775 438.6573 23.76151 439.1394 22.90912 439.6215 22.03316 440.1036 21.06515 440.5857 20.09129 441.0678 19.18721 441.5500 18.32774 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