#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:02:29 +0300 (Thu, 26 Apr 2018) $ #$Revision: 623 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000160.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_1000160 loop_ _publ_author_name 'Callegari, A.' 'Mazzi, F.' 'Tadini, C.' _publ_section_title ; Modular aspects of the crystal structures of kurchatovite and clinokurchatovite Locality: Solongo, Siberia ; _journal_name_full 'European Journal of Mineralogy' _journal_page_first 277 _journal_page_last 282 _journal_paper_doi 10.1127/0935-1221/2003/0015-0277 _journal_volume 15 _journal_year 2003 _chemical_compound_source R130074 _chemical_formula_sum 'B2 Ca Mg O5' _chemical_name_mineral Kurchatovite _space_group_IT_number 61 _symmetry_space_group_name_Hall '-P 2ac 2ab' _symmetry_space_group_name_H-M 'P b c a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 36.34 _cell_length_b 11.135 _cell_length_c 5.499 _cell_volume 2225.148 _exptl_crystal_density_diffrn 2.973 _cod_original_formula_sum 'Ca Mg B2 O5' _cod_database_code 9010721 _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 R130074.rod _rod_data_source.block 3500000 _rod_database.code 1000160 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 9010721 COD http://www.crystallography.net/cod/9010721.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 90.59570 0.0000000E+00 91.07782 3.3248998E-02 91.55994 0.7608720 92.04205 3.330971 92.52417 6.628983 93.00629 10.42051 93.48840 13.92794 93.97052 15.95869 94.45264 15.63211 94.93475 14.28866 95.41687 13.31893 95.89898 13.31558 96.38110 13.76578 96.86321 13.63635 97.34533 12.70847 97.82745 11.03942 98.30956 9.288651 98.79168 7.412193 99.27380 5.727730 99.75591 4.243286 100.2380 2.877655 100.7201 1.792122 101.2023 1.237663 101.6844 0.6892850 102.1665 0.4216000 102.6486 0.9914780 103.1307 1.882782 103.6128 2.759445 104.0950 3.377174 104.5771 4.025909 105.0592 5.108932 105.5413 5.939484 106.0234 6.425346 106.5055 6.371284 106.9877 5.864998 107.4698 5.272804 107.9519 4.430367 108.4340 3.739471 108.9161 3.460014 109.3982 3.432419 109.8804 3.265686 110.3625 2.472130 110.8446 0.8308330 111.3267 0.2335210 111.8088 0.4202500 112.2909 0.3029630 112.7731 4.7501002E-02 113.2552 0.2710800 113.7373 0.5913700 114.2194 0.8349380 114.7015 1.064682 115.1836 1.054298 115.6658 0.5951840 116.1479 1.7006001E-02 116.6300 0.3649140 117.1121 0.4272770 117.5942 0.2987590 118.0763 0.3080370 118.5584 0.6036220 119.0406 0.7317200 119.5227 0.4493560 120.0048 0.1134640 120.4869 0.5996480 120.9690 0.8325040 121.4511 0.9053650 121.9333 1.045036 122.4154 1.342278 122.8975 1.605614 123.3796 1.646385 123.8617 1.443687 124.3438 1.187912 124.8260 0.7966610 125.3081 0.4600140 125.7902 0.3845370 126.2723 0.6808850 126.7544 1.237175 127.2365 1.818810 127.7187 2.477058 128.2008 3.094246 128.6829 3.640617 129.1650 4.143486 129.6471 4.588821 130.1292 4.954109 130.6114 5.255455 131.0935 5.736076 131.5756 6.626938 132.0577 7.496254 132.5398 8.175514 133.0219 8.741631 133.5041 9.392685 133.9862 10.32632 134.4683 11.63534 134.9504 12.60469 135.4325 13.33514 135.9146 13.73327 136.3968 13.63598 136.8789 13.07185 137.3610 12.32168 137.8431 11.71439 138.3252 11.29637 138.8073 10.73787 139.2895 9.855095 139.7716 8.884590 140.2537 8.086754 140.7358 7.523590 141.2179 7.153748 141.7000 6.990685 142.1821 7.013313 142.6643 7.006310 143.1464 6.905418 143.6285 6.712418 144.1106 6.405052 144.5927 5.886246 145.0748 5.340446 145.5570 4.927338 146.0391 4.636749 146.5212 4.363651 147.0033 3.990723 147.4854 3.500927 147.9675 3.097309 148.4497 2.922104 148.9318 2.883739 149.4139 3.093254 149.8960 3.564121 150.3781 4.170780 150.8602 4.713524 151.3424 5.102688 151.8245 5.642731 152.3066 6.378490 152.7887 7.233200 153.2708 8.130424 153.7529 9.039410 154.2351 10.01619 154.7172 11.21158 155.1993 13.03287 155.6814 14.58500 156.1635 15.82188 156.6456 16.77643 157.1278 17.47304 157.6099 17.91933 158.0920 18.12622 158.5741 18.13276 159.0562 18.04333 159.5383 17.67008 160.0205 16.88282 160.5026 15.78908 160.9847 14.57646 161.4668 13.31161 161.9489 12.03796 162.4310 10.98847 162.9131 10.27966 163.3953 9.641624 163.8774 8.869705 164.3595 7.986710 164.8416 7.263073 165.3237 6.999928 165.8058 6.991535 166.2880 6.752426 166.7701 6.001785 167.2522 5.166580 167.7343 4.764713 168.2164 4.866192 168.6985 5.046604 169.1807 5.064610 169.6628 5.029545 170.1449 5.075401 170.6270 5.308064 171.1091 5.616707 171.5912 5.701302 172.0734 5.321552 172.5555 5.181416 173.0376 5.657745 173.5197 6.470387 174.0018 7.232437 174.4839 7.714710 174.9661 7.976059 175.4482 8.251770 175.9303 8.495045 176.4124 8.775593 176.8945 9.121029 177.3766 9.554684 177.8588 10.10306 178.3409 10.78097 178.8230 11.58419 179.3051 12.12834 179.7872 12.24492 180.2693 12.27655 180.7515 12.26119 181.2336 12.23182 181.7157 12.23658 182.1978 12.32277 182.6799 12.49992 183.1620 12.64521 183.6441 12.74030 184.1263 12.83826 184.6084 13.04680 185.0905 13.31922 185.5726 13.44343 186.0547 13.19213 186.5368 12.49575 187.0190 11.91950 187.5011 11.63880 187.9832 11.35619 188.4653 10.84924 188.9474 10.09953 189.4296 9.222553 189.9117 8.263275 190.3938 7.235489 190.8759 6.369419 191.3580 5.738850 191.8401 5.259609 192.3223 4.836731 192.8044 4.456287 193.2865 4.157978 193.7686 4.008339 194.2507 3.973717 194.7328 3.994156 195.2150 4.135231 195.6971 4.307678 196.1792 4.276241 196.6613 3.887451 197.1434 3.598404 197.6255 3.938560 198.1077 4.666592 198.5898 5.145710 199.0719 4.813278 199.5540 3.904102 200.0361 3.461903 200.5182 3.787220 201.0004 4.217995 201.4825 4.417965 201.9646 4.431499 202.4467 4.379124 202.9288 4.353432 203.4109 4.348236 203.8930 4.234818 204.3752 3.781170 204.8573 3.469845 205.3394 3.610096 205.8215 4.054615 206.3036 4.431206 206.7857 4.372673 207.2679 3.840988 207.7500 3.643967 208.2321 4.276463 208.7142 4.809212 209.1963 4.847717 209.6784 4.509129 210.1606 4.179501 210.6427 4.234337 211.1248 4.750626 211.6069 4.953480 212.0890 4.671329 212.5711 4.271564 213.0533 3.850719 213.5354 3.433582 214.0175 3.009975 214.4996 2.557178 214.9817 2.045990 215.4638 1.734344 215.9460 1.854259 216.4281 1.922764 216.9102 1.658470 217.3923 1.092896 217.8744 0.4511910 218.3565 7.2944999E-02 218.8387 0.4672890 219.3208 0.7731670 219.8029 1.045303 220.2850 1.201885 220.7671 1.102634 221.2492 0.7843780 221.7314 0.5160900 222.2135 0.5603520 222.6956 0.9428220 223.1777 1.158928 223.6598 1.154640 224.1419 1.027908 224.6240 0.8025970 225.1062 0.4905240 225.5883 0.1985890 226.0704 4.9599999E-04 226.5525 9.7015001E-02 227.0346 0.1148530 227.5167 5.7785001E-02 227.9989 0.2402950 228.4810 0.2510570 228.9631 7.8060001E-02 229.4452 0.1462250 229.9273 0.3467600 230.4094 0.5243610 230.8916 0.6824340 231.3737 0.8180960 231.8558 0.9373400 232.3379 1.026340 232.8200 1.073593 233.3021 1.162781 233.7843 1.423382 234.2664 1.748611 234.7485 1.962215 235.2306 1.937756 235.7127 1.852074 236.1948 1.975952 236.6770 2.365528 237.1591 2.733418 237.6412 2.866737 238.1233 2.916348 238.6054 3.060200 239.0875 3.392654 239.5697 3.784977 240.0518 4.023590 240.5339 4.071289 241.0160 4.084290 241.4981 4.075890 241.9802 4.083447 242.4624 4.170486 242.9445 4.382492 243.4266 4.606667 243.9087 4.621368 244.3908 4.331585 244.8729 4.090458 245.3550 4.051361 245.8372 4.070217 246.3193 4.041542 246.8014 3.931656 247.2835 3.737171 247.7656 3.389202 248.2477 2.702160 248.7299 2.326538 249.2120 2.661842 249.6941 3.143791 250.1762 3.292271 250.6583 2.969948 251.1404 2.479141 251.6226 2.349918 252.1047 2.797195 252.5868 3.128986 253.0689 3.234417 253.5510 3.254887 254.0331 3.277710 254.5153 3.327465 254.9974 3.388863 255.4795 3.407314 255.9616 3.221943 256.4437 3.374332 256.9258 4.140957 257.4080 4.980255 257.8901 5.539570 258.3722 5.760967 258.8543 5.828426 259.3364 5.983383 259.8185 6.263897 260.3007 6.537762 260.7828 6.857967 261.2649 7.136307 261.7470 7.277477 262.2291 7.294151 262.7112 7.305340 263.1934 7.453434 263.6755 7.783005 264.1576 8.100960 264.6397 8.368393 265.1218 8.652111 265.6039 9.021793 266.0861 9.461658 266.5682 9.884590 267.0503 10.20765 267.5324 10.42435 268.0145 10.54230 268.4966 10.46405 268.9788 10.40084 269.4609 10.50188 269.9430 10.72367 270.4251 10.89392 270.9072 10.86367 271.3893 10.62477 271.8715 10.42854 272.3536 10.38807 272.8357 10.27126 273.3178 9.891422 273.7999 9.342785 274.2820 8.899075 274.7642 8.768589 275.2463 8.909988 275.7284 8.821033 276.2105 8.271923 276.6926 7.765404 277.1747 7.589901 277.6568 7.596680 278.1389 7.411579 278.6211 6.802250 279.1032 5.933907 279.5853 5.471550 280.0674 5.703373 280.5495 5.852150 281.0316 5.679306 281.5138 5.328579 281.9959 5.054604 282.4780 4.982979 282.9601 5.016506 283.4422 4.880558 283.9243 4.494938 284.4065 4.099960 284.8886 3.628468 285.3707 3.196758 285.8528 3.005119 286.3349 3.142796 286.8170 3.484516 287.2992 3.834747 287.7813 4.225784 288.2634 4.493282 288.7455 4.494602 289.2276 4.403084 289.7097 4.430069 290.1919 4.624817 290.6740 4.900761 291.1561 5.173527 291.6382 5.446980 292.1203 5.678562 292.6024 5.824284 293.0846 5.946690 293.5667 6.085541 294.0488 6.249321 294.5309 6.487217 295.0130 6.891232 295.4951 7.456886 295.9773 7.848000 296.4594 7.930534 296.9415 7.924309 297.4236 7.983036 297.9057 8.112450 298.3878 8.273262 298.8700 8.453648 299.3521 8.642292 299.8342 8.784435 300.3163 8.812328 300.7984 8.854824 301.2805 8.985649 301.7627 9.196560 302.2448 9.451271 302.7269 9.742809 303.2090 10.05954 303.6911 10.37847 304.1732 10.78838 304.6554 11.06793 305.1375 11.01824 305.6196 10.75549 306.1017 10.61091 306.5838 10.75961 307.0659 10.99774 307.5481 10.90693 308.0302 10.45261 308.5123 9.923584 308.9944 9.409111 309.4765 8.882618 309.9586 8.293049 310.4408 7.620617 310.9229 6.915451 311.4050 6.222260 311.8871 5.528248 312.3692 4.954475 312.8513 4.644901 313.3335 4.413235 313.8156 3.989521 314.2977 3.327850 314.7798 2.689201 315.2619 2.340328 315.7440 2.264347 316.2262 2.134251 316.7083 1.845860 317.1904 1.549206 317.6725 1.383808 318.1546 1.345467 318.6367 1.321175 319.1188 1.237648 319.6010 1.106201 320.0831 0.9911960 320.5652 0.9108240 321.0473 0.8278080 321.5294 0.6873440 322.0115 0.5214810 322.4937 0.4510150 322.9758 0.5645830 323.4579 0.7691730 323.9400 0.8159790 324.4221 0.6238980 324.9042 0.4809340 325.3864 0.5118140 325.8685 0.6579480 326.3506 0.8177340 326.8327 0.9649240 327.3148 1.093460 327.7969 1.185818 328.2791 1.235497 328.7612 1.309536 329.2433 1.461086 329.7254 1.604912 330.2075 1.631397 330.6896 1.526123 331.1718 1.421867 331.6539 1.455799 332.1360 1.641380 332.6181 1.816700 333.1002 2.010101 333.5823 2.170238 334.0645 2.250492 334.5466 2.245453 335.0287 2.186848 335.5108 2.054314 335.9929 1.886856 336.4750 1.936020 336.9572 2.458218 337.4393 2.904266 337.9214 2.986828 338.4035 2.813351 338.8856 2.656143 339.3677 2.651688 339.8499 2.715485 340.3320 2.602200 340.8141 2.187508 341.2962 1.850029 341.7783 1.655544 342.2604 1.578426 342.7426 1.629646 343.2247 1.813316 343.7068 2.024437 344.1889 2.098934 344.6710 1.969826 345.1531 1.808666 345.6353 1.538185 346.1174 1.311115 346.5995 1.214119 347.0816 1.256796 347.5637 1.466709 348.0458 1.936661 348.5280 2.705505 349.0101 3.028879 349.4922 2.541243 349.9743 2.056322 350.4564 1.884485 350.9385 1.964884 351.4207 2.162426 351.9028 2.426592 352.3849 2.721411 352.8670 2.886356 353.3491 2.796795 353.8312 2.752722 354.3134 2.766647 354.7955 2.853291 355.2776 3.092367 355.7597 3.493200 356.2418 3.852177 356.7239 3.811956 357.2061 3.048870 357.6882 2.545637 358.1703 2.522652 358.6524 2.577515 359.1345 2.375267 359.6166 1.929909 360.0987 1.543055 360.5808 1.533531 361.0630 1.958874 361.5451 2.225355 362.0272 2.208948 362.5093 2.164856 362.9914 2.198952 363.4735 2.266581 363.9557 2.250996 364.4378 2.068712 364.9199 1.786566 365.4020 1.699154 365.8841 2.043741 366.3662 2.261307 366.8484 2.228424 367.3305 2.075163 367.8126 1.900614 368.2947 1.744648 368.7768 1.634129 369.2589 1.635696 369.7411 1.835680 370.2232 1.908590 370.7053 1.730856 371.1874 1.526651 371.6695 1.416153 372.1516 1.395924 372.6338 1.386467 373.1159 1.327360 373.5980 1.218960 374.0801 1.053450 374.5622 0.7097760 375.0443 0.4635790 375.5265 0.4558490 376.0086 0.5861910 376.4907 0.7158570 376.9728 0.7931270 377.4549 0.7949370 377.9370 0.6360170 378.4192 0.2298070 378.9013 9.0163998E-02 379.3834 0.2014430 379.8655 0.2114410 380.3476 0.1824870 380.8297 0.1279740 381.3119 6.0593002E-02 381.7940 2.3758000E-02 382.2761 0.1239530 382.7582 0.1647010 383.2403 7.9751998E-02 383.7224 8.3500001E-04 384.2046 5.9510998E-02 384.6867 0.2094480 385.1688 0.2815090 385.6509 8.9941002E-02 386.1330 0.2261260 386.6151 0.3250710 387.0973 0.1507680 387.5794 3.9554998E-02 388.0615 7.4545003E-02 388.5436 4.0894002E-02 389.0257 7.2296001E-02 389.5078 0.2437760 389.9900 0.3932130 390.4721 0.2777730 390.9542 4.7929998E-02 391.4363 0.1055070 391.9184 0.4140530 392.4005 1.078747 392.8827 1.266655 393.3648 0.9568560 393.8469 0.6097870 394.3290 0.3236430 394.8111 0.1376170 395.2932 0.1731190 395.7754 0.4678460 396.2575 0.7651880 396.7396 0.8307670 397.2217 0.6777650 397.7038 0.5495800 398.1859 0.4537300 398.6681 0.3863700 399.1501 0.3809720 399.6323 0.4101280 400.1144 0.3615260 400.5965 0.1555820 401.0786 0.1266210 401.5607 0.2332290 402.0428 4.4376001E-02 402.5250 7.9571001E-02 403.0071 9.4029997E-03 403.4892 0.1274320 403.9713 0.1619420 404.4534 6.2077001E-02 404.9355 4.3887999E-02 405.4177 2.2340000E-03 405.8998 0.2426320 406.3819 0.4270190 406.8640 0.6365530 407.3461 0.7226730 407.8282 0.5237920 408.3104 0.1369970 408.7925 0.2108150 409.2746 0.3844740 409.7567 0.3984570 410.2388 0.3218350 410.7209 6.6791996E-02 411.2031 0.1700520 411.6852 0.4326820 412.1673 0.6386170 412.6494 0.6947840 413.1315 0.5845510 413.6136 0.3855650 414.0958 0.1890430 414.5779 1.4360000E-02 415.0600 0.1799680 415.5421 0.3152240 416.0242 0.4034040 416.5063 0.4258670 416.9885 0.3941780 417.4706 0.3262440 417.9527 0.2136920 418.4348 9.1038004E-02 418.9169 8.7844998E-02 419.3990 0.2616600 419.8812 0.4290080 420.3633 0.5223370 420.8454 0.5893920 421.3275 0.6832500 421.8096 0.8181360 422.2917 0.9331840 422.7739 0.9615750 423.2560 0.9061320 423.7381 0.8152390 424.2202 0.6274700 424.7023 0.5042570 425.1844 0.6117460 425.6666 0.8899440 426.1487 1.121605 426.6308 1.184755 427.1129 1.163315 427.5950 1.173101 428.0771 1.215302 428.5593 1.279011 429.0414 1.369585 429.5235 1.473373 430.0056 1.571539 430.4877 1.698061 430.9698 1.742037 431.4520 1.545729 431.9341 1.243839 432.4162 1.134558 432.8983 1.309134 433.3804 1.560913 433.8625 1.639742 434.3447 1.513018 434.8268 1.480421 435.3089 1.610186 435.7910 1.786844 436.2731 1.950188 436.7552 2.093365 437.2374 2.244293 437.7195 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