#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:21:40 +0300 (Thu, 24 May 2018) $ #$Revision: 673 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000197.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_1000197 loop_ _publ_author_name 'Effenberger, H.' _publ_section_title ; Kristallstruktur und chemische formel des benstonits, Ba6Ca6Mg(CO3)13 ; _journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen' _journal_page_first 326 _journal_page_last 337 _journal_volume 136 _journal_year 1979 _chemical_compound_source R050484 _chemical_formula_sum 'C13 Ba6 Ca6 Mg O39' _chemical_name_mineral Benstonite _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 18.280 _cell_length_b 18.280 _cell_length_c 8.652 _cell_volume 2503.799 _exptl_crystal_density_diffrn 3.718 _cod_original_sg_symbol_H-M 'R -3' _cod_original_formula_sum 'Ba6 Ca6 Mg O39 C13' _cod_database_code 9009253 _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 R050484.rod _rod_data_source.block 3500000 _rod_database.code 1000197 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 9009253 COD http://www.crystallography.net/cod/9009253.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 147.4155 0.0000000E+00 147.8976 0.2759400 148.3797 0.7011410 148.8618 0.7759400 149.3439 0.1714170 149.8260 0.1993710 150.3082 0.3536380 150.7903 0.2021180 151.2724 0.3202510 151.7545 1.188690 152.2366 2.012390 152.7188 2.612396 153.2009 3.187622 153.6830 3.948120 154.1651 5.144897 154.6472 6.247314 155.1293 6.886749 155.6115 6.898224 156.0936 7.586334 156.5757 9.029205 157.0578 11.28235 157.5399 14.41193 158.0220 19.01019 158.5042 24.02359 158.9863 29.21442 159.4684 34.64642 159.9505 40.38321 160.4326 45.87988 160.9147 51.51962 161.3969 57.94672 161.8790 66.33395 162.3611 74.90247 162.8432 82.81384 163.3253 89.93033 163.8074 96.28082 164.2896 101.8976 164.7717 106.7502 165.2538 110.7744 165.7359 113.7419 166.2180 115.9764 166.7001 117.6410 167.1823 118.5834 167.6644 119.3439 168.1465 120.1049 168.6286 120.9188 169.1107 121.9622 169.5928 123.9033 170.0750 127.6786 170.5571 132.3226 171.0392 137.5294 171.5213 142.6194 172.0034 146.4554 172.4855 148.9922 172.9677 150.1476 173.4498 152.0447 173.9319 154.2031 174.4140 155.4173 174.8961 154.9221 175.3782 153.8818 175.8604 153.7711 176.3425 154.4439 176.8246 154.7178 177.3067 154.0107 177.7888 152.2436 178.2709 149.2158 178.7531 144.2396 179.2352 138.4196 179.7173 133.2925 180.1994 128.8157 180.6815 124.6593 181.1636 120.9283 181.6458 117.3600 182.1279 113.3095 182.6100 108.3115 183.0921 102.7824 183.5742 97.46561 184.0563 92.48438 184.5385 87.31827 185.0206 81.50278 185.5027 75.07773 185.9848 68.56549 186.4669 61.96912 186.9490 55.40930 187.4312 48.95950 187.9133 42.73880 188.3954 36.66446 188.8775 30.76389 189.3596 25.06763 189.8417 19.55215 190.3239 14.14923 190.8060 8.905060 191.2881 4.298767 191.7702 0.3709410 192.2523 2.861633 192.7344 5.262817 193.2166 6.815277 193.6987 8.052124 194.1808 9.379730 194.6629 10.70694 195.1450 11.02576 195.6271 10.22433 196.1093 8.706818 196.5914 7.167084 197.0735 5.665009 197.5556 3.437958 198.0377 4.7637999E-02 198.5198 4.820557 199.0020 9.433838 199.4841 13.85333 199.9662 18.16171 200.4483 22.51175 200.9304 26.88046 201.4125 31.43677 201.8947 36.41290 202.3768 41.88223 202.8589 46.78656 203.3410 50.90659 203.8231 54.76208 204.3052 59.41171 204.7874 65.11942 205.2695 70.71957 205.7516 75.47559 206.2337 79.26437 206.7158 83.08035 207.1979 87.03189 207.6801 90.92874 208.1622 94.35513 208.6443 97.31781 209.1264 99.86600 209.6085 101.7667 210.0906 102.6588 210.5728 104.6631 211.0549 108.1760 211.5370 112.5464 212.0191 116.1735 212.5012 118.7806 212.9833 121.3899 213.4655 124.4633 213.9476 128.1066 214.4297 131.8326 214.9118 135.4842 215.3939 139.2899 215.8760 143.9427 216.3581 149.5816 216.8403 155.7134 217.3224 162.0334 217.8045 168.4903 218.2866 175.3872 218.7687 182.6847 219.2508 190.4134 219.7330 198.4986 220.2151 206.9250 220.6972 215.6746 221.1793 224.5637 221.6614 233.4178 222.1435 243.0873 222.6257 253.9879 223.1078 265.6002 223.5899 276.7773 224.0720 287.4752 224.5541 297.8585 225.0362 308.3013 225.5184 319.1704 226.0005 328.9696 226.4826 337.3393 226.9647 344.7539 227.4468 352.8429 227.9289 362.1468 228.4111 371.2288 228.8932 379.3854 229.3753 386.1879 229.8574 393.0764 230.3395 400.0293 230.8216 407.0538 231.3038 414.2146 231.7859 421.1956 232.2680 428.7106 232.7501 437.1790 233.2322 447.1755 233.7143 456.8066 234.1965 466.2298 234.6786 475.2904 235.1607 483.7532 235.6428 492.0081 236.1249 499.0730 236.6070 504.5631 237.0892 508.5806 237.5713 510.8234 238.0534 511.6470 238.5355 510.5938 239.0176 506.4261 239.4997 498.3336 239.9819 488.1391 240.4640 476.7264 240.9461 464.2938 241.4282 449.9624 241.9103 433.1975 242.3924 414.7174 242.8746 396.1293 243.3567 377.1556 243.8388 358.5099 244.3209 340.2973 244.8030 322.3913 245.2851 305.7426 245.7673 290.2187 246.2494 276.0127 246.7315 263.6422 247.2136 253.6850 247.6957 244.6442 248.1778 235.8924 248.6600 227.2750 249.1421 219.5563 249.6242 212.5636 250.1063 206.2708 250.5884 200.8582 251.0705 196.4834 251.5527 192.8639 252.0348 190.0535 252.5169 188.3076 252.9990 186.3415 253.4811 183.8714 253.9632 181.5003 254.4454 180.2899 254.9275 180.5660 255.4096 181.3852 255.8917 182.5306 256.3738 183.8669 256.8560 185.3385 257.3381 186.7451 257.8202 188.4170 258.3023 191.0280 258.7844 195.1146 259.2665 198.9316 259.7487 201.7677 260.2308 203.3635 260.7129 205.7504 261.1950 209.1457 261.6771 213.1400 262.1592 217.0538 262.6414 220.5753 263.1235 224.7072 263.6056 229.7885 264.0877 235.9103 264.5698 241.9868 265.0519 247.8886 265.5341 253.8875 266.0162 260.3913 266.4983 267.4619 266.9804 274.7654 267.4625 282.1843 267.9446 289.6679 268.4268 298.0220 268.9089 307.5354 269.3910 317.1853 269.8731 325.8269 270.3552 333.0734 270.8373 340.7001 271.3195 349.5273 271.8016 359.2938 272.2837 367.5365 272.7658 374.1717 273.2479 379.6587 273.7300 384.6333 274.2122 389.2349 274.6943 392.3741 275.1764 393.9199 275.6585 393.8573 276.1406 392.0270 276.6227 388.3772 277.1049 383.1249 277.5870 376.4366 278.0691 368.3184 278.5512 358.5528 279.0333 346.7682 279.5154 333.5157 279.9976 320.5899 280.4797 308.0381 280.9618 295.5566 281.4439 282.7001 281.9260 269.5390 282.4081 255.7011 282.8903 240.8396 283.3724 225.6045 283.8545 211.4424 284.3366 198.3628 284.8187 186.1747 285.3008 175.1059 285.7830 164.9907 286.2651 155.1490 286.7472 145.4350 287.2293 135.9743 287.7114 126.8544 288.1935 118.0790 288.6757 110.0257 289.1578 103.2642 289.6399 97.52016 290.1220 91.76373 290.6041 85.85712 291.0862 80.04276 291.5684 74.63008 292.0505 69.58777 292.5326 64.90134 293.0147 60.52118 293.4968 56.47249 293.9789 52.65683 294.4611 49.11177 294.9432 45.82657 295.4253 42.82996 295.9074 40.09612 296.3895 37.60512 296.8716 35.44228 297.3538 33.46497 297.8359 31.31561 298.3180 28.95766 298.8001 26.68861 299.2822 24.77156 299.7643 23.12238 300.2465 21.56004 300.7286 19.99318 301.2107 18.49994 301.6928 17.14954 302.1749 15.95908 302.6570 14.89337 303.1392 13.99330 303.6213 13.20439 304.1034 12.47371 304.5855 11.76575 305.0676 11.10611 305.5497 10.48134 306.0319 9.901047 306.5140 9.341461 306.9961 8.755035 307.4782 8.212189 307.9603 7.785660 308.4424 7.521805 308.9246 7.338379 309.4067 7.249741 309.8888 7.205475 310.3709 7.046722 310.8530 6.573318 311.3351 6.018372 311.8173 5.631119 312.2994 5.539413 312.7815 5.307571 313.2636 4.491867 313.7457 3.380234 314.2278 2.478500 314.7100 2.227905 315.1921 2.112076 315.6742 1.778473 316.1563 1.142807 316.6384 0.6289370 317.1205 0.6656650 317.6027 0.8819430 318.0848 0.8112030 318.5669 2.1225000E-02 319.0490 0.8351900 319.5311 1.546600 320.0132 2.099655 320.4954 2.489105 320.9775 2.620926 321.4596 2.627350 321.9417 2.607330 322.4238 2.466049 322.9059 2.421860 323.3881 2.608154 323.8702 2.991333 324.3523 3.239792 324.8344 3.194489 325.3165 3.070389 325.7986 2.999893 326.2808 3.137146 326.7629 3.154755 327.2450 2.921585 327.7271 2.524445 328.2092 2.304626 328.6913 2.391418 329.1735 2.539261 329.6556 2.687851 330.1377 3.001877 330.6198 2.999420 331.1019 2.451050 331.5840 1.655289 332.0662 1.190643 332.5483 1.269501 333.0304 1.382935 333.5125 1.387787 333.9946 1.302338 334.4767 1.051575 334.9589 0.5528870 335.4410 3.5918999E-02 335.9231 0.5595250 336.4052 1.107605 336.8873 1.323334 337.3694 0.9471280 337.8515 4.4112999E-02 338.3336 0.1837770 338.8158 0.4933010 339.2979 1.376038 339.7800 1.800491 340.2621 1.692184 340.7442 1.622513 341.2263 1.699814 341.7085 1.893036 342.1906 2.117340 342.6727 2.374420 343.1548 2.632767 343.6369 2.834595 344.1190 2.992218 344.6012 3.320572 345.0833 3.924004 345.5654 4.542343 346.0475 4.606018 346.5296 4.153328 347.0117 3.772629 347.4939 3.792610 347.9760 4.136871 348.4581 4.625862 348.9402 5.284485 349.4223 5.914322 349.9044 6.277374 350.3866 6.419899 350.8687 6.505035 351.3508 6.493317 351.8329 6.513321 352.3150 6.829842 352.7971 7.433083 353.2793 8.015549 353.7614 8.266968 354.2435 8.354584 354.7256 8.565331 355.2077 9.108467 355.6898 9.647713 356.1720 9.857948 356.6541 9.792610 357.1362 9.692932 357.6183 9.602264 358.1004 9.586548 358.5826 9.734581 359.0647 10.13621 359.5468 10.50531 360.0289 10.72591 360.5110 10.81020 360.9931 10.76802 361.4753 10.18453 361.9574 9.805191 362.4395 10.17255 362.9216 11.49231 363.4037 12.54498 363.8858 12.89190 364.3680 12.81947 364.8501 12.62921 365.3322 12.26529 365.8143 11.92519 366.2964 11.59866 366.7785 11.28922 367.2607 11.20033 367.7428 11.45910 368.2249 11.87336 368.7070 12.33398 369.1891 13.13275 369.6712 13.57452 370.1534 13.40101 370.6355 12.84779 371.1176 12.67271 371.5997 13.16236 372.0818 13.65569 372.5639 13.89237 373.0461 13.80370 373.5282 13.66339 374.0103 13.45271 374.4924 13.18834 374.9745 12.83784 375.4566 12.26176 375.9388 12.06730 376.4209 12.59629 376.9030 13.74122 377.3851 14.22786 377.8672 13.97521 378.3493 13.41589 378.8315 12.92606 379.3136 12.51270 379.7957 12.13136 380.2778 11.75882 380.7599 11.44452 381.2420 11.34624 381.7242 11.44616 382.2063 11.52785 382.6884 11.46686 383.1705 11.29421 383.6526 11.05220 384.1347 10.69798 384.6169 10.37598 385.0990 10.40162 385.5811 10.66156 386.0632 10.73672 386.5453 10.18255 387.0274 9.419350 387.5096 9.063019 387.9917 9.106819 388.4738 9.182137 388.9559 9.077194 389.4380 8.853279 389.9201 8.533653 390.4023 7.925522 390.8844 7.395531 391.3665 7.327271 391.8486 7.595169 392.3307 7.721695 392.8128 7.266037 393.2950 6.755554 393.7771 6.535744 394.2592 6.704018 394.7413 6.980827 395.2234 7.577034 395.7055 8.119644 396.1877 8.114090 396.6698 6.673988 397.1519 5.499413 397.6340 5.253624 398.1161 6.091072 398.5982 6.566551 399.0804 6.239136 399.5625 5.733337 400.0446 5.505348 400.5267 5.874725 401.0088 6.056587 401.4909 5.900383 401.9731 5.503296 402.4552 5.263542 402.9373 5.256554 403.4194 5.290947 403.9015 5.256737 404.3836 5.104782 404.8658 5.090065 405.3479 5.299065 405.8300 5.535507 406.3121 5.423714 406.7942 4.890182 407.2763 4.532463 407.7585 4.623528 408.2406 5.054062 408.7227 5.177887 409.2048 4.959389 409.6869 4.711052 410.1690 4.744698 410.6512 5.012268 411.1333 5.256409 411.6154 5.452026 412.0975 5.542213 412.5796 5.356987 413.0617 4.951767 413.5439 4.592041 414.0260 4.449989 414.5081 4.433838 414.9902 4.398277 415.4723 4.325249 415.9544 4.332489 416.4366 4.777626 416.9187 5.313896 417.4008 5.416206 417.8829 4.277748 418.3650 3.172470 418.8471 2.957741 419.3293 3.498901 419.8114 3.979889 420.2935 3.980865 420.7756 3.858360 421.2577 3.865868 421.7398 4.202156 422.2220 4.361969 422.7041 4.027824 423.1862 3.476204 423.6683 3.204849 424.1504 3.633743 424.6325 3.989952 425.1147 4.047447 425.5968 3.774246 426.0789 3.519890 426.5610 3.258377 427.0431 3.040222 427.5252 2.916931 428.0074 2.945786 428.4895 2.926529 428.9716 2.837387 429.4537 2.690262 429.9358 2.458443 430.4179 2.065071 430.9001 1.873085 431.3822 2.223679 431.8643 3.130905 432.3464 3.543617 432.8285 3.379730 433.3106 2.978752 433.7928 2.743820 434.2749 2.660698 434.7570 2.580025 435.2391 2.426262 435.7212 2.262184 436.2033 2.318520 436.6855 2.558304 437.1676 2.610069 437.6497 1.856071 438.1318 0.8536300 438.6139 0.5664750 439.0960 1.321205 439.5782 2.127686 440.0603 2.010284 440.5424 1.397873 441.0245 1.085266 441.5066 1.771942 441.9887 2.556473 442.4709 2.941856 442.9530 2.918152 443.4351 2.719116 443.9172 2.238976 444.3993 1.733421 444.8814 1.383003 445.3636 1.206284 445.8457 1.186638 446.3278 1.466217 446.8099 1.909630 447.2920 2.174026 447.7741 2.131935 448.2563 2.044571 448.7384 1.989655 449.2205 1.979622 449.7026 1.929192 450.1847 1.815697 450.6668 1.689766 451.1490 1.642090 451.6311 1.693199 452.1132 1.808121 452.5953 2.067909 453.0774 2.329689 453.5595 2.128693 454.0417 1.408188 454.5238 0.7142720 455.0059 0.3735960 455.4880 0.3316570 455.9701 0.3448720 456.4522 0.4000700 456.9344 0.5196840 457.4165 0.8167040 457.8986 1.210342 458.3807 1.462227 458.8628 1.494789 459.3449 1.356522 459.8271 0.9667970 460.3092 0.4043430 460.7913 2.0339999E-02 461.2734 0.1251600 461.7555 0.4573060 462.2376 0.8787990 462.7198 1.431473 463.2019 1.765121 463.6840 1.545029 464.1661 1.060188 464.6482 0.6755070 465.1303 0.5127560 465.6125 0.4445040 466.0946 0.5499420 466.5767 0.7576750 467.0588 0.7201460 467.5409 2.0012001E-02 468.0230 0.5165020 468.5052 0.4698330 468.9873 0.5415340 469.4694 1.176437 469.9515 1.326767 470.4336 1.197838 470.9157 1.040115 471.3979 0.8145600 471.8800 0.7214660 472.3621 0.8907170 472.8442 1.227997 473.3263 1.216614 473.8084 0.8074950 474.2906 0.4169620 474.7727 0.4240720 475.2548 0.7300110 475.7369 0.8093260 476.2190 0.5496220 476.7011 0.3012540 477.1833 0.6905670 477.6654 1.455444 478.1475 1.871277 478.6296 1.298645 479.1117 0.4681700 479.5938 0.1355740 480.0760 0.2426300 480.5581 0.3992770 481.0402 0.4254910 481.5223 0.3793790 482.0044 0.2989960 482.4865 0.1620640 482.9687 7.2371997E-02 483.4508 9.1141000E-02 483.9329 0.1541290 484.4150 0.2216490 484.8971 0.3858950 485.3792 0.4536740 485.8614 0.2513430 486.3435 0.1833190 486.8256 0.2321320 487.3077 0.4400480 487.7898 1.096970 488.2719 1.314209 488.7541 0.9171910 489.2362 0.6486510 489.7183 0.5417330 490.2004 0.4913480 490.6825 0.4308470 491.1646 0.3587040 491.6468 0.2985840 492.1289 0.2562260 492.6110 0.2313080 493.0931 0.2499390 493.5752 0.3110200 494.0573 0.3232120 494.5395 0.1736760 495.0216 6.4406998E-02 495.5037 0.2765050 495.9858 0.4682160 496.4679 0.5156400 496.9500 0.1664430 497.4322 0.3881840 497.9143 0.8195950 498.3964 0.9968870 498.8785 1.013443 499.3606 0.8983610 499.8427 0.6606450 500.3249 0.3448790 500.8070 0.2208400 501.2891 0.7215270 501.7712 0.9804530 502.2533 0.9294890 502.7354 0.7823030 503.2176 0.4716340 503.6997 0.1227870 504.1818 0.1384890 504.6639 0.2637790 505.1460 0.3983150 505.6281 0.6200100 506.1103 0.8559570 506.5924 0.7150270 507.0745 2.5620000E-02 507.5566 0.4366610 508.0387 4.3274000E-02 508.5208 1.154678 509.0030 1.613098 509.4851 1.196732 509.9672 0.5854340 510.4493 0.6401060 510.9314 1.126953 511.4135 1.180710 511.8957 0.3701480 512.3778 0.5826110 512.8599 0.8270720 513.3420 0.5146640 513.8242 8.9630000E-02 514.3063 0.4181670 514.7884 0.8185420 515.2705 0.9200290 515.7526 0.7103580 516.2347 0.4653320 516.7169 0.1442870 517.1990 8.6700000E-02 517.6811 9.2483997E-02 518.1632 0.5278930 518.6453 0.8523250 519.1274 0.5408330 519.6096 7.7774003E-02 520.0917 0.4037630 520.5738 0.3340450 521.0559 0.1373140 521.5380 0.2240600 522.0201 0.7191930 522.5023 0.7044680 522.9844 1.7302999E-02 523.4665 0.6835940 523.9486 0.6158910 524.4307 0.1400760 524.9128 0.5627750 525.3950 0.5067140 525.8771 0.3050840 526.3592 0.4577940 526.8413 0.8756560 527.3234 1.199509 527.8055 1.289307 528.2877 1.224854 528.7698 1.015564 529.2519 0.7037810 529.7340 0.4642790 530.2161 0.2646790 530.6982 0.2689670 531.1804 0.5753940 531.6625 1.180374 532.1446 2.141495 532.6267 4.424957 533.1088 6.610962 533.5909 7.351852 534.0731 4.875458 534.5552 2.936417 535.0373 1.950378 535.5194 1.659409 536.0015 1.390656 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