#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:42:15 +0300 (Thu, 07 Jun 2018) $ #$Revision: 938 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000409.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_1000409 loop_ _publ_author_name 'Rastsvetaeva, R. K.' 'Chukanov, N. V.' _publ_section_title ; Crystal structure and microtwinning of a new mineral clinobarylite, BaBe2Si2O7 ; _journal_name_full 'Doklady Akademii Nauk' _journal_page_first 205 _journal_page_last 207 _journal_volume 388 _journal_year 2003 _chemical_compound_source R060620 _chemical_formula_sum 'Ba Be2 O7 Si2' _chemical_name_mineral Clinobarylite _space_group_IT_number 6 _symmetry_space_group_name_Hall 'P -2x' _symmetry_space_group_name_H-M 'P m 1 1' _cell_angle_alpha 89.94 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 11.618 _cell_length_b 4.904 _cell_length_c 4.655 _cell_volume 265.217 _exptl_crystal_density_diffrn 4.051 _cod_original_formula_sum 'Ba Be2 Si2 O7' _cod_database_code 9016137 _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 R060620.rod _rod_data_source.block 3500000 _rod_database.code 1000409 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 9016137 COD http://www.crystallography.net/cod/9016137.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 178.7195 0.0000000E+00 179.2017 0.4368440 179.6838 0.7628630 180.1659 3.549911 180.6480 6.984314 181.1301 11.35886 181.6122 17.11203 182.0944 24.07301 182.5765 31.98827 183.0586 39.44939 183.5407 47.89209 184.0228 60.24652 184.5049 76.11362 184.9871 96.91309 185.4692 124.2586 185.9513 157.9872 186.4334 196.1081 186.9155 237.9292 187.3976 283.7465 187.8798 336.8323 188.3619 398.4438 188.8440 460.5337 189.3261 519.6337 189.8082 574.8159 190.2903 603.3690 190.7725 587.8163 191.2546 533.4336 191.7367 468.3644 192.2188 390.7241 192.7009 310.6308 193.1830 244.6892 193.6652 192.9706 194.1473 151.6200 194.6294 120.5374 195.1115 99.48526 195.5936 84.87640 196.0757 77.11049 196.5579 73.89743 197.0400 71.93248 197.5221 70.55716 198.0042 71.64088 198.4863 75.74940 198.9684 82.87750 199.4506 90.54041 199.9327 98.91504 200.4148 107.2114 200.8969 114.6827 201.3790 122.1385 201.8611 125.0615 202.3433 119.7875 202.8254 105.7010 203.3075 90.59360 203.7896 74.42126 204.2717 58.22359 204.7538 44.83507 205.2360 34.42415 205.7181 26.09235 206.2002 19.39883 206.6823 14.36040 207.1644 10.86491 207.6465 9.217468 208.1287 8.927505 208.6108 8.662720 209.0929 8.595734 209.5750 8.083435 210.0571 6.626251 210.5392 4.010727 211.0214 1.432480 211.5035 1.038116 211.9856 3.381836 212.4677 5.765121 212.9498 8.503738 213.4319 10.44550 213.9140 10.93155 214.3962 10.19794 214.8783 8.450089 215.3604 4.867538 215.8425 0.1567990 216.3246 3.246536 216.8067 5.163635 217.2889 6.817093 217.7710 8.873871 218.2531 12.05968 218.7352 13.95708 219.2173 13.74231 219.6994 12.08559 220.1816 12.29231 220.6637 15.16154 221.1458 18.48834 221.6279 20.80374 222.1100 21.66986 222.5921 23.17812 223.0743 25.59727 223.5564 28.72835 224.0385 31.72888 224.5206 33.86211 225.0027 36.62279 225.4848 41.23222 225.9670 47.73647 226.4491 54.93623 226.9312 63.33505 227.4133 72.68379 227.8954 83.38229 228.3775 94.76923 228.8597 108.7221 229.3418 125.8092 229.8239 145.3031 230.3060 169.3690 230.7881 197.9741 231.2702 231.2966 231.7524 269.7599 232.2345 316.1254 232.7166 362.9813 233.1987 408.7336 233.6808 466.5213 234.1629 493.5817 234.6451 481.9279 235.1272 437.2370 235.6093 382.1326 236.0914 307.3254 236.5735 234.8796 237.0556 176.9353 237.5378 136.4215 238.0199 104.2347 238.5020 81.46609 238.9841 66.56825 239.4662 54.46779 239.9483 46.02025 240.4305 39.17522 240.9126 32.78844 241.3947 26.60165 241.8768 21.44775 242.3589 17.50275 242.8410 14.61319 243.3232 12.22334 243.8053 10.54530 244.2874 9.088486 244.7695 7.563278 245.2516 5.605469 245.7337 4.402725 246.2159 4.398636 246.6980 5.112015 247.1801 4.937698 247.6622 3.275711 248.1443 1.620102 248.6264 0.7084810 249.1086 0.8161010 249.5907 1.018707 250.0728 1.483276 250.5549 1.985825 251.0370 1.837189 251.5191 0.5379790 252.0013 0.6150510 252.4834 0.9881740 252.9655 0.1490630 253.4476 0.3331600 253.9297 0.2959140 254.4118 3.4180000E-02 254.8940 0.2000270 255.3761 0.3374020 255.8582 4.1306000E-02 256.3403 0.9717860 256.8224 3.031433 257.3046 4.652557 257.7867 5.563248 258.2688 6.188766 258.7509 7.345459 259.2330 9.103394 259.7151 11.22636 260.1973 13.91260 260.6794 17.55423 261.1615 19.83702 261.6436 20.73836 262.1257 20.29303 262.6078 18.23071 263.0900 13.79713 263.5721 9.603714 264.0542 6.613510 264.5363 4.943527 265.0184 3.508682 265.5005 2.301254 265.9827 1.310516 266.4648 0.5139620 266.9469 5.2611999E-02 267.4290 0.5122990 267.9111 0.9264530 268.3932 1.303070 268.8754 1.474869 269.3575 1.482971 269.8396 1.442459 270.3217 1.377655 270.8038 1.217575 271.2859 1.463730 271.7681 2.401459 272.2502 3.908844 272.7323 4.319061 273.2144 3.133774 273.6965 1.544922 274.1786 1.272186 274.6608 2.681610 275.1429 3.626541 275.6250 3.446167 276.1071 2.313339 276.5892 1.506744 277.0714 1.066589 277.5535 0.8724820 278.0356 0.9461980 278.5177 1.344177 278.9998 1.449905 279.4819 1.175568 279.9641 0.5095830 280.4462 0.8410800 280.9283 3.106201 281.4104 5.077896 281.8925 5.465729 282.3746 4.241364 282.8568 3.674927 283.3389 4.366455 283.8210 5.774017 284.3031 6.396561 284.7852 6.189224 285.2673 5.622803 285.7495 4.949722 286.2316 4.180878 286.7137 3.352142 287.1958 2.353516 287.6779 1.471832 288.1600 1.453094 288.6422 2.309631 289.1243 3.209412 289.6064 3.517105 290.0885 3.367599 290.5706 3.509689 291.0527 4.096283 291.5349 4.770554 292.0170 4.843704 292.4991 4.371262 292.9812 4.017487 293.4633 4.090759 293.9454 4.560883 294.4276 5.493500 294.9097 6.991928 295.3918 8.465164 295.8739 9.012238 296.3560 8.804001 296.8381 8.673782 297.3203 9.062546 297.8024 9.789612 298.2845 10.51605 298.7666 11.24037 299.2487 11.95062 299.7308 12.67909 300.2130 13.40097 300.6951 14.03053 301.1772 14.44072 301.6593 14.78302 302.1414 15.19722 302.6235 15.68320 303.1057 16.44630 303.5878 18.01244 304.0699 19.94121 304.5520 21.33896 305.0341 21.34026 305.5162 21.20309 305.9984 22.38899 306.4805 24.73898 306.9626 27.23343 307.4447 29.10886 307.9268 30.70656 308.4089 32.39474 308.8911 34.17081 309.3732 36.09688 309.8553 38.25661 310.3374 40.67186 310.8195 43.39441 311.3016 46.50012 311.7838 49.75079 312.2659 52.91617 312.7480 55.78055 313.2301 58.97589 313.7122 62.85579 314.1943 67.44511 314.6765 72.64629 315.1586 78.55441 315.6407 84.83704 316.1228 91.24155 316.6049 97.54987 317.0870 104.6633 317.5692 113.0477 318.0513 122.4069 318.5334 132.2838 319.0155 141.6929 319.4976 152.3092 319.9797 164.7310 320.4619 179.0187 320.9440 194.9606 321.4261 212.7997 321.9082 231.9819 322.3903 251.9052 322.8724 271.6842 323.3546 292.9095 323.8367 315.5334 324.3188 339.6139 324.8009 366.6781 325.2830 396.6649 325.7651 429.6270 326.2473 465.5331 326.7294 506.3018 327.2115 547.8503 327.6936 591.9217 328.1757 637.0419 328.6578 677.8286 329.1400 714.2448 329.6221 746.3397 330.1042 773.8146 330.5863 789.5747 331.0684 812.7200 331.5505 842.1395 332.0327 878.9098 332.5148 925.7681 332.9969 987.9559 333.4790 1053.598 333.9611 1120.372 334.4432 1189.080 334.9254 1256.675 335.4075 1327.493 335.8896 1392.654 336.3717 1440.827 336.8538 1473.205 337.3359 1484.570 337.8180 1472.519 338.3001 1437.371 338.7823 1383.936 339.2644 1309.528 339.7465 1223.476 340.2286 1132.270 340.7107 1035.340 341.1928 940.7386 341.6750 850.6828 342.1571 764.9786 342.6392 688.3354 343.1213 620.4528 343.6034 559.6828 344.0855 504.3251 344.5677 454.7956 345.0498 410.0760 345.5319 370.4893 346.0140 335.5534 346.4961 304.9337 346.9782 278.6630 347.4604 254.8722 347.9425 232.8587 348.4246 212.5858 348.9067 194.9801 349.3888 180.2890 349.8709 167.2309 350.3531 154.2358 350.8352 141.5418 351.3173 130.0849 351.7994 120.2462 352.2815 111.8023 352.7636 104.4280 353.2458 98.11874 353.7279 92.57751 354.2100 87.71939 354.6921 83.43089 355.1742 79.53455 355.6563 75.92566 356.1385 72.67758 356.6206 69.76538 357.1027 67.21704 357.5848 65.24307 358.0669 65.24467 358.5490 65.22133 359.0312 63.16119 359.5133 58.13663 359.9954 52.21141 360.4775 45.62814 360.9596 38.98628 361.4417 33.65526 361.9239 30.97844 362.4060 29.08844 362.8881 26.91141 363.3702 24.23734 363.8523 22.10207 364.3344 20.75554 364.8166 20.12772 365.2987 20.14592 365.7808 21.30705 366.2629 22.58965 366.7450 23.71616 367.2271 24.66061 367.7093 25.67639 368.1914 26.83649 368.6735 28.12370 369.1556 29.44916 369.6377 30.13646 370.1198 31.42883 370.6020 33.93776 371.0841 37.34746 371.5662 40.09682 372.0483 41.57887 372.5304 42.92009 373.0125 44.57042 373.4947 46.55638 373.9768 48.63797 374.4589 50.51083 374.9410 52.84659 375.4231 56.60558 375.9052 61.94963 376.3874 68.14903 376.8695 74.59155 377.3516 81.42949 377.8337 90.86142 378.3158 103.0450 378.7979 117.6593 379.2801 134.2399 379.7622 152.9310 380.2443 173.4248 380.7264 195.3477 381.2085 219.5890 381.6906 250.1247 382.1728 286.9386 382.6549 324.1516 383.1370 365.8568 383.6191 406.2605 384.1012 419.7036 384.5833 401.7913 385.0655 362.9251 385.5476 308.1896 386.0297 241.7639 386.5118 181.8230 386.9939 136.1745 387.4760 101.9788 387.9582 76.27054 388.4403 58.77106 388.9224 45.93323 389.4045 36.45068 389.8866 29.50131 390.3687 23.91162 390.8509 19.53859 391.3330 16.25650 391.8151 14.45905 392.2972 13.82701 392.7793 13.01700 393.2614 10.72839 393.7436 8.422150 394.2257 7.180252 394.7078 7.583710 395.1899 8.124069 395.6720 8.323547 396.1541 8.309570 396.6363 8.288559 397.1184 8.075333 397.6005 8.078720 398.0826 8.530014 398.5647 9.506287 399.0468 10.33997 399.5290 11.04333 400.0111 11.53514 400.4932 11.73517 400.9753 11.00095 401.4574 10.84244 401.9395 11.46854 402.4217 12.78766 402.9038 14.33548 403.3859 15.89055 403.8680 18.00098 404.3501 21.01616 404.8322 25.13428 405.3144 29.25984 405.7965 32.98094 406.2786 37.13802 406.7607 43.33368 407.2428 51.92964 407.7249 60.66493 408.2071 68.97128 408.6892 76.79230 409.1713 84.28458 409.6534 91.92561 410.1355 96.49301 410.6176 94.20032 411.0998 85.88107 411.5819 76.00366 412.0640 64.71130 412.5461 53.43568 413.0282 43.87491 413.5103 36.10631 413.9925 30.30420 414.4746 27.18996 414.9567 25.83536 415.4388 25.32324 415.9209 25.74765 416.4030 25.40919 416.8852 22.26793 417.3673 17.50624 417.8494 13.05341 418.3315 9.570084 418.8136 6.671387 419.2957 4.107697 419.7779 1.904617 420.2600 6.3033998E-02 420.7421 1.319519 421.2242 2.380402 421.7063 3.167999 422.1884 3.639099 422.6706 3.976624 423.1527 4.222717 423.6348 4.368698 424.1169 4.402069 424.5990 4.121201 425.0811 3.920380 425.5633 4.124283 426.0454 4.918625 426.5275 4.796829 427.0096 2.752014 427.4917 0.5890200 427.9738 0.1013790 428.4560 1.648026 428.9381 2.846176 429.4202 3.069016 429.9023 2.516190 430.3844 1.792343 430.8665 0.7217710 431.3487 8.9630000E-02 431.8308 0.1279300 432.3129 0.6726840 432.7950 0.7237240 433.2771 0.1748200 433.7592 1.383026 434.2414 1.946136 434.7235 1.977600 435.2056 2.416565 435.6877 3.794189 436.1698 5.649582 436.6519 6.874237 437.1341 7.510391 437.6162 8.250183 438.0983 9.672638 438.5804 11.54050 439.0625 13.44969 439.5446 15.32961 440.0268 17.25963 440.5089 19.51871 440.9910 21.88277 441.4731 23.85991 441.9552 25.13853 442.4373 26.06981 442.9195 26.72617 443.4016 27.10278 443.8837 27.75430 444.3658 28.79472 444.8479 30.37126 445.3300 32.61249 445.8122 36.95618 446.2943 40.10489 446.7764 41.67525 447.2585 41.69420 447.7406 40.21031 448.2227 35.40831 448.7049 30.94754 449.1870 27.95129 449.6691 26.66173 450.1512 25.07257 450.6333 22.68047 451.1154 20.59830 451.5976 20.06354 452.0797 21.66420 452.5618 22.85681 453.0439 23.08862 453.5260 22.75418 454.0081 23.02249 454.4903 23.91063 454.9724 25.29655 455.4545 27.05432 455.9366 29.21738 456.4187 32.19810 456.9008 36.02383 457.3830 40.45816 457.8651 44.91304 458.3472 49.65146 458.8293 55.32185 459.3114 62.24632 459.7935 70.14583 460.2757 78.64447 460.7578 87.82648 461.2399 98.29233 461.7220 110.5525 462.2041 124.1613 462.6862 139.6659 463.1684 158.2961 463.6505 173.7227 464.1326 185.0702 464.6147 190.4003 465.0968 187.2834 465.5789 169.5255 466.0611 148.9168 466.5432 126.7737 467.0253 103.7296 467.5074 84.41411 467.9895 69.87943 468.4716 58.78374 468.9538 50.86589 469.4359 47.80859 469.9180 44.43559 470.4001 40.60001 470.8822 36.50969 471.3643 32.39136 471.8465 28.12756 472.3286 24.14207 472.8107 20.41293 473.2928 17.06587 473.7749 14.68719 474.2570 13.40549 474.7392 12.48524 475.2213 11.32784 475.7034 10.01524 476.1855 9.207230 476.6676 9.086411 477.1497 9.092178 477.6319 8.262085 478.1140 6.885910 478.5961 5.881210 479.0782 6.101883 479.5603 6.642654 480.0424 6.419418 480.5246 5.511978 481.0067 4.523758 481.4888 3.724823 481.9709 3.086090 482.4530 2.589722 482.9352 2.194443 483.4173 1.977402 483.8994 2.162613 484.3815 2.522797 484.8636 2.741791 485.3457 2.603271 485.8279 2.323486 486.3100 1.686203 486.7921 0.7101750 487.2742 0.2772980 487.7563 0.9975130 488.2384 1.753067 488.7206 1.841110 489.2027 0.7435910 489.6848 0.3580630 490.1669 1.032684 490.6490 2.031494 491.1311 1.983856 491.6133 0.6354220 492.0954 0.2286530 492.5775 0.1728820 493.0596 1.417252 493.5417 1.844543 494.0238 1.440430 494.5060 0.9676210 494.9881 1.077744 495.4702 1.544525 495.9523 1.785110 496.4344 1.687073 496.9165 1.514816 497.3987 1.582230 497.8808 1.759613 498.3629 1.802872 498.8450 1.652298 499.3271 1.302185 499.8092 0.4539950 500.2914 0.7307280 500.7735 1.319702 501.2556 0.2909550 501.7377 0.9431610 502.2198 1.487244 502.7019 0.8693390 503.1841 0.5502780 503.6662 1.106461 504.1483 1.891617 504.6304 2.146820 505.1125 1.608246 505.5946 0.9407040 506.0768 4.4388000E-02 506.5589 0.9261470 507.0410 1.123184 507.5231 0.3220210 508.0052 0.6117100 508.4873 1.310883 508.9695 1.765320 509.4516 1.857880 509.9337 1.527145 510.4158 1.081406 510.8979 0.8374790 511.3800 0.7739560 511.8622 0.8190920 512.3443 0.9843900 512.8264 1.203110 513.3085 1.364441 513.7906 1.498169 514.2728 1.709137 514.7549 2.177719 515.2370 2.672806 515.7191 3.019318 516.2012 3.205505 516.6833 3.236511 517.1655 3.251709 517.6476 3.046631 518.1297 2.433319 518.6118 0.4535980 519.0939 0.7884370 519.5760 0.3901210 520.0582 0.9422450 520.5403 1.488586 521.0224 0.4771270 521.5045 0.2430570 521.9866 4.1198999E-02 522.4688 1.081207 522.9509 1.724823 523.4330 1.772858 523.9151 1.620468 524.3972 1.413116 524.8793 1.148239 525.3615 1.567413 525.8436 2.837219 526.3257 4.355835 526.8078 5.333939 527.2899 5.802567 527.7720 5.855148 528.2542 5.280594 528.7363 4.573059 529.2184 4.172195 529.7005 4.075317 530.1826 4.414139 530.6647 5.920197 531.1469 7.568344 531.6290 8.298264 532.1111 7.689346 532.5932 7.372803 533.0753 8.031158 533.5574 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