#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:42:12 +0300 (Thu, 07 Jun 2018) $ #$Revision: 937 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000408.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_1000408 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 R060606 _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 R060606.rod _rod_data_source.block 3500000 _rod_database.code 1000408 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 187.7134 0.0000000E+00 188.1956 0.1717990 188.6777 0.1618040 189.1598 6.1179999E-02 189.6419 0.7649080 190.1240 2.186607 190.6061 4.299934 191.0883 6.717407 191.5704 9.168709 192.0525 11.67377 192.5346 14.41248 193.0167 17.49164 193.4988 20.67667 193.9810 22.97675 194.4631 24.20148 194.9452 25.50298 195.4273 27.57496 195.9094 30.38351 196.3915 32.82908 196.8737 34.48938 197.3558 35.70999 197.8379 37.82076 198.3200 40.89978 198.8021 44.43755 199.2842 47.97947 199.7664 51.53218 200.2485 55.23526 200.7306 59.05111 201.2127 63.04100 201.6948 67.65348 202.1769 72.91644 202.6591 78.66577 203.1412 84.90032 203.6233 91.77898 204.1054 98.24750 204.5875 104.4501 205.0696 110.2164 205.5518 113.4974 206.0339 113.8072 206.5160 112.8291 206.9981 112.0267 207.4802 111.2716 207.9623 111.2702 208.4445 112.3087 208.9266 114.3196 209.4087 116.8418 209.8908 120.2391 210.3729 123.6919 210.8550 126.6811 211.3372 129.3030 211.8193 129.3951 212.3014 126.2125 212.7835 119.4829 213.2656 111.0874 213.7477 100.4856 214.2299 88.86199 214.7120 77.63004 215.1941 66.22794 215.6762 56.25756 216.1583 47.98312 216.6404 41.37778 217.1226 35.66918 217.6047 30.87617 218.0868 26.65984 218.5689 22.86939 219.0510 19.61206 219.5331 16.85487 220.0153 14.61720 220.4974 12.93147 220.9795 11.29945 221.4616 9.637558 221.9437 8.100189 222.4258 6.884804 222.9080 6.145714 223.3901 5.410385 223.8722 4.537819 224.3543 3.480080 224.8364 2.607643 225.3185 1.903618 225.8007 1.404259 226.2828 1.206352 226.7649 1.539406 227.2470 1.711838 227.7291 1.471046 228.2112 0.7279740 228.6934 0.2372890 229.1755 8.7761000E-02 229.6576 0.1090930 230.1397 9.2522003E-02 230.6218 3.4720998E-02 231.1039 5.2666001E-02 231.5861 0.1524200 232.0682 0.2517170 232.5503 0.4730830 233.0324 0.9534000 233.5145 1.437256 233.9966 1.568001 234.4788 1.086815 234.9609 0.7168810 235.4430 0.7184070 235.9251 1.191017 236.4072 1.297287 236.8893 0.8115690 237.3715 0.1466290 237.8536 0.1651150 238.3357 8.0261000E-02 238.8178 0.3191600 239.2999 0.3908310 239.7820 0.2604290 240.2642 0.2460710 240.7463 0.4067760 241.2284 0.6369550 241.7105 0.8095170 242.1926 0.9151310 242.6747 0.9863130 243.1569 1.059715 243.6390 1.160133 244.1211 1.030479 244.6032 0.4753720 245.0853 0.1370160 245.5674 0.3428420 246.0496 9.2834003E-02 246.5317 0.4648210 247.0138 0.6524890 247.4959 0.6663210 247.9780 0.3961030 248.4601 0.3300090 248.9423 1.172195 249.4244 1.735321 249.9065 1.843727 250.3886 2.023712 250.8707 2.403252 251.3528 2.987396 251.8350 3.574272 252.3171 4.122536 252.7992 4.709587 253.2813 5.433418 253.7634 6.371101 254.2455 7.261452 254.7277 8.058952 255.2098 8.765282 255.6919 9.380424 256.1740 9.885483 256.6561 10.31988 257.1382 10.71834 257.6204 11.10352 258.1025 11.39822 258.5846 11.55811 259.0667 11.59192 259.5488 11.67953 260.0309 11.84229 260.5131 12.02657 260.9952 12.14516 261.4773 12.09266 261.9594 12.28548 262.4415 12.85830 262.9236 13.77252 263.4058 14.56123 263.8879 15.17953 264.3700 15.76426 264.8521 16.41110 265.3342 17.07576 265.8163 17.93690 266.2985 19.03484 266.7806 20.34189 267.2627 21.77396 267.7448 23.38042 268.2269 24.98705 268.7090 26.40660 269.1912 27.55660 269.6733 28.99651 270.1554 31.01715 270.6375 33.33236 271.1196 34.85239 271.6017 35.71220 272.0839 35.41021 272.5660 33.35502 273.0481 29.28419 273.5302 25.09077 274.0123 20.71089 274.4944 16.43788 274.9766 13.06339 275.4587 10.64659 275.9408 8.907761 276.4229 7.832825 276.9050 7.454445 277.3871 7.270920 277.8693 7.314865 278.3514 7.458733 278.8335 7.330780 279.3156 6.851501 279.7977 6.566193 280.2798 6.897812 280.7620 7.847450 281.2441 8.548058 281.7262 8.904892 282.2083 9.093109 282.6904 9.470436 283.1725 10.09269 283.6547 10.62421 284.1368 10.84781 284.6189 10.78315 285.1010 10.71404 285.5831 10.68832 286.0652 10.59647 286.5474 10.20583 287.0295 9.518639 287.5116 8.825272 287.9937 8.261612 288.4758 7.787132 288.9579 7.206543 289.4401 6.495522 289.9222 5.776329 290.4043 5.185394 290.8864 4.707550 291.3685 4.282158 291.8506 3.944672 292.3328 3.714745 292.8149 3.542671 293.2970 3.391182 293.7791 3.184296 294.2612 2.918037 294.7433 2.654213 295.2255 2.486755 295.7076 2.393074 296.1897 2.372650 296.6718 2.535614 297.1539 2.886345 297.6360 3.261292 298.1182 3.459877 298.6003 3.544456 299.0824 3.694740 299.5645 3.945602 300.0466 4.315598 300.5287 4.942757 301.0109 5.777077 301.4930 6.486107 301.9751 6.859573 302.4572 6.979950 302.9393 6.912766 303.4214 6.586876 303.9036 6.120148 304.3857 5.684555 304.8678 5.259209 305.3499 4.724884 305.8320 3.876610 306.3141 2.974228 306.7963 2.250656 307.2784 1.696953 307.7605 1.422691 308.2426 1.647041 308.7247 2.229950 309.2068 2.836113 309.6890 3.412292 310.1711 3.868195 310.6532 4.017128 311.1353 3.749710 311.6174 3.646606 312.0995 4.275024 312.5817 5.283783 313.0638 6.114052 313.5459 6.375420 314.0280 6.517044 314.5101 6.816910 314.9922 7.301079 315.4744 7.801575 315.9565 8.165222 316.4386 8.526924 316.9207 9.034134 317.4028 9.862167 317.8849 10.73383 318.3671 11.50361 318.8492 12.18607 319.3313 12.97144 319.8134 13.83856 320.2955 14.88372 320.7776 16.17083 321.2598 17.91985 321.7419 19.70221 322.2240 21.31038 322.7061 22.82108 323.1882 24.64082 323.6703 27.28181 324.1525 29.96117 324.6346 32.23028 325.1167 34.03012 325.5988 35.46446 326.0809 36.61189 326.5630 37.40835 327.0452 37.67738 327.5273 37.52178 328.0094 36.73387 328.4915 35.19555 328.9736 32.69882 329.4557 29.95019 329.9379 26.79401 330.4200 23.42135 330.9021 20.15748 331.3842 16.72718 331.8663 13.73578 332.3484 11.38930 332.8306 9.810753 333.3127 8.321976 333.7948 6.877274 334.2769 5.557823 334.7590 4.465851 335.2411 3.605270 335.7233 2.953514 336.2054 2.563499 336.6875 2.415154 337.1696 2.220970 337.6517 1.976997 338.1339 1.698929 338.6160 1.417236 339.0981 1.150078 339.5802 0.7491840 340.0623 8.4220998E-02 340.5444 0.6790010 341.0266 0.8590240 341.5087 0.3440320 341.9908 0.1966170 342.4729 0.3176190 342.9550 1.9278999E-02 343.4371 0.2775270 343.9193 0.5638810 344.4014 0.7891620 344.8835 0.8295360 345.3656 0.6861420 345.8477 0.5073090 346.3298 0.3629680 346.8120 0.2418370 347.2941 7.1175002E-02 347.7762 0.1789170 348.2583 0.3697740 348.7404 0.2355040 349.2225 0.1301420 349.7047 0.3572160 350.1868 0.4017490 350.6689 0.1963960 351.1510 0.4726790 351.6331 1.577057 352.1152 2.759262 352.5974 3.685097 353.0795 4.529892 353.5616 5.565727 354.0437 6.749870 354.5258 8.213509 355.0079 10.35039 355.4901 13.01402 355.9722 15.58562 356.4543 17.66698 356.9364 19.46751 357.4185 21.23146 357.9006 23.02197 358.3828 24.71921 358.8649 26.21962 359.3470 27.58461 359.8291 28.95131 360.3112 30.33321 360.7933 31.76775 361.2755 33.30507 361.7576 34.96039 362.2397 36.63028 362.7218 37.96143 363.2039 39.39675 363.6860 41.43093 364.1682 44.21014 364.6503 47.61620 365.1324 51.56352 365.6145 56.07401 366.0966 61.12997 366.5787 66.48730 367.0609 72.53899 367.5430 79.53659 368.0251 87.90440 368.5072 96.81644 368.9893 106.2492 369.4714 116.1390 369.9536 126.0649 370.4357 136.2815 370.9178 146.3250 371.3999 156.3345 371.8820 168.0146 372.3641 175.5487 372.8463 179.0702 373.3284 178.2964 373.8105 172.4560 374.2926 160.3722 374.7747 145.6559 375.2568 128.3473 375.7390 108.3265 376.2211 90.55789 376.7032 74.74017 377.1853 61.42693 377.6674 51.06263 378.1495 43.80116 378.6317 37.93380 379.1138 33.22680 379.5959 29.58672 380.0780 26.66608 380.5601 24.50086 381.0422 22.84082 381.5244 21.64396 382.0065 20.84340 382.4886 20.11137 382.9707 19.38393 383.4528 18.79028 383.9349 18.48195 384.4171 18.45702 384.8992 18.68430 385.3813 19.16365 385.8634 19.87950 386.3455 20.79317 386.8276 21.89684 387.3098 23.28329 387.7919 25.10760 388.2740 27.28111 388.7561 29.64488 389.2382 32.43775 389.7203 35.13687 390.2025 37.25139 390.6846 38.83827 391.1667 40.22247 391.6488 42.36452 392.1309 43.93076 392.6130 43.74118 393.0952 41.25510 393.5773 37.70639 394.0594 32.93149 394.5415 27.52546 395.0236 22.59200 395.5057 18.43864 395.9879 14.84644 396.4700 11.74694 396.9521 9.141212 397.4342 6.985046 397.9163 5.291710 398.3984 3.982368 398.8806 3.054886 399.3627 2.862091 399.8448 2.741531 400.3269 2.678993 400.8090 2.626076 401.2911 2.287560 401.7733 1.341507 402.2554 0.4914020 402.7375 0.1691970 403.2196 0.7244720 403.7017 0.9617460 404.1838 0.7690580 404.6660 0.3209230 405.1481 4.8186999E-02 405.6302 0.3161770 406.1123 0.5978780 406.5944 0.9686050 407.0765 1.435555 407.5587 1.789406 408.0408 2.031319 408.5229 2.102501 409.0050 1.832802 409.4871 1.279404 409.9692 0.9241490 410.4514 0.9857710 410.9335 1.174644 411.4156 0.7508320 411.8977 0.2225040 412.3798 1.059380 412.8619 1.126862 413.3441 0.7608570 413.8262 0.6383740 414.3083 0.8722000 414.7904 1.164017 415.2725 1.148491 415.7546 0.9782410 416.2368 0.9701080 416.7189 1.459976 417.2010 2.030136 417.6831 2.317474 418.1652 2.331139 418.6473 2.372673 419.1295 2.491760 419.6116 2.768196 420.0937 3.270340 420.5758 4.044472 421.0579 5.009041 421.5400 6.237923 422.0222 7.645157 422.5043 9.054726 422.9864 10.27416 423.4685 11.60439 423.9506 13.16241 424.4327 14.95026 424.9149 16.96769 425.3970 19.33578 425.8791 21.85519 426.3612 24.36347 426.8433 26.82236 427.3254 29.32067 427.8076 31.99665 428.2897 34.77876 428.7718 37.09296 429.2539 39.11969 429.7360 40.26546 430.2181 40.03504 430.7003 38.28071 431.1824 36.02422 431.6645 33.14951 432.1466 30.06696 432.6287 27.41402 433.1108 25.21156 433.5930 23.50563 434.0751 22.35339 434.5572 21.71154 435.0393 21.53620 435.5214 21.83608 436.0035 22.28297 436.4857 22.64414 436.9678 22.92552 437.4499 23.16484 437.9320 23.40841 438.4141 23.53459 438.8962 23.19375 439.3784 22.58604 439.8605 22.29955 440.3426 22.79943 440.8247 23.65986 441.3068 24.58186 441.7889 25.53697 442.2711 26.47430 442.7532 27.23847 443.2353 28.02153 443.7174 29.02299 444.1995 30.74316 444.6816 32.22015 445.1638 33.27201 445.6459 33.88312 446.1280 34.04836 446.6101 33.72324 447.0922 32.98663 447.5743 31.81583 448.0565 30.05334 448.5386 28.28605 449.0207 26.44035 449.5028 24.64629 449.9849 23.09322 450.4670 21.76477 450.9492 20.67970 451.4313 19.81723 451.9134 19.19730 452.3955 19.02808 452.8776 19.35312 453.3597 19.98447 453.8419 20.84060 454.3240 21.91182 454.8061 23.09855 455.2882 24.38475 455.7703 25.77723 456.2524 27.21566 456.7346 28.73990 457.2167 30.47140 457.6988 32.80933 458.1809 35.26036 458.6630 37.35966 459.1451 39.03738 459.6273 39.47545 460.1094 37.68836 460.5915 34.39977 461.0736 30.37560 461.5557 25.27662 462.0378 20.51039 462.5200 16.89697 463.0021 14.24544 463.4842 12.26260 463.9663 11.03566 464.4484 10.25632 464.9305 9.931442 465.4127 10.08666 465.8948 10.17205 466.3769 9.967041 466.8590 9.753639 467.3411 9.736458 467.8232 9.914986 468.3054 10.25955 468.7875 10.82581 469.2696 11.56615 469.7517 12.31058 470.2338 13.05888 470.7159 13.71190 471.1981 14.18404 471.6802 14.46091 472.1623 14.98510 472.6444 15.85048 473.1265 16.69007 473.6086 17.07549 474.0908 17.01404 474.5729 17.01110 475.0550 17.23942 475.5371 17.44079 476.0192 17.12447 476.5013 16.31817 476.9835 15.27407 477.4656 13.97511 477.9477 12.57514 478.4298 11.33988 478.9119 10.28609 479.3940 9.291504 479.8762 8.153954 480.3583 7.051750 480.8404 6.226936 481.3225 5.873795 481.8046 5.628448 482.2867 5.305206 482.7689 4.949036 483.2510 4.673248 483.7331 4.573639 484.2152 4.529663 484.6973 4.512634 485.1794 4.540245 485.6616 4.437012 486.1437 3.988792 486.6258 3.545532 487.1079 3.360603 487.5900 3.500160 488.0721 3.710861 488.5543 3.986542 489.0364 4.349007 489.5185 4.762314 490.0006 5.175308 490.4827 5.759079 490.9648 6.635529 491.4470 7.788452 491.9291 8.828438 492.4112 9.738312 492.8933 10.59541 493.3754 11.57767 493.8575 12.60986 494.3397 13.32582 494.8218 13.60861 495.3039 13.60868 495.7860 13.39959 496.2681 13.05606 496.7502 12.81590 497.2324 12.86986 497.7145 13.01154 498.1966 12.98301 498.6787 12.78400 499.1608 12.83954 499.6429 13.57793 500.1251 14.52591 500.6072 15.28409 501.0893 15.53191 501.5714 15.92435 502.0535 16.55552 502.5356 17.41734 503.0178 18.51204 503.4999 20.13839 503.9820 21.69689 504.4641 22.93789 504.9462 23.83408 505.4283 25.10757 505.9105 26.76495 506.3926 28.78603 506.8747 31.21105 507.3568 34.07795 507.8389 37.04453 508.3210 40.05518 508.8032 43.10948 509.2853 46.12966 509.7674 49.12832 510.2495 52.32876 510.7316 56.12756 511.2137 60.08594 511.6959 63.35431 512.1780 65.91580 512.6601 67.93757 513.1422 69.42680 513.6243 70.48219 514.1064 71.40272 514.5886 72.49161 515.0707 72.52294 515.5528 70.74944 516.0349 67.44254 516.5170 62.97383 516.9991 56.64442 517.4813 50.00674 517.9634 43.31131 518.4455 36.63519 518.9276 30.45619 519.4097 24.58021 519.8918 19.50215 520.3740 15.51634 520.8561 12.73643 521.3382 10.60358 521.8203 9.174881 522.3024 8.324860 522.7845 8.138573 523.2667 8.862083 523.7488 8.780525 524.2309 7.311729 524.7130 5.066788 525.1951 3.492897 525.6772 2.576622 526.1594 1.993576 526.6415 1.701332 527.1236 1.576355 527.6057 1.316269 528.0878 0.9276280 528.5699 0.6321870 529.0521 0.5668640 529.5342 0.6122740 530.0163 0.6568830 530.4984 0.7366410 530.9805 0.7496870 531.4626 0.4957580 531.9448 0.1234050 532.4269 6.2743999E-02 532.9090 0.3178560 533.3911 0.6163710 533.8732 0.5410610 534.3553 7.0641004E-02 534.8375 0.2015760 535.3196 0.1569750 535.8017 8.6139999E-03 536.2838 0.1145480 536.7659 0.2152020 537.2480 0.2383120 537.7302 0.1717910 538.2123 9.8953001E-02 538.6944 0.1520460 539.1765 0.3369670 539.6586 0.4303590 540.1407 0.3696210 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