#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:20:49 +0300 (Thu, 24 May 2018) $ #$Revision: 660 $ #$URL: svn://172.16.1.111/rod/cif/2/10/00/2100017.rod $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2100017 loop_ _publ_author_name 'Corazza, E.' _publ_section_title ; Inderite: Crystal structure refinement and relationship to kurnakovite ; _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 1329 _journal_page_last 1333 _journal_paper_doi 10.1107/S0567740876005293 _journal_volume 32 _journal_year 1976 _chemical_compound_source R050195 _chemical_formula_sum 'B3 H15 Mg O13' _chemical_name_mineral Inderite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 104.552 _cell_angle_gamma 90 _cell_length_a 6.8221 _cell_length_b 13.1145 _cell_length_c 12.0350 _cell_volume 1042.210 _exptl_crystal_density_diffrn 1.784 _cod_original_formula_sum 'Mg O13 B3 H15' _cod_database_code 9007612 _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 R050195.rod _rod_data_source.block 3500000 _rod_database.code 2100017 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 9007612 COD http://www.crystallography.net/cod/9007612.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 134.7553 0.0000000E+00 135.2374 5.9875000E-02 135.7195 2.236877 136.2016 5.143372 136.6838 7.857086 137.1659 10.21173 137.6480 12.96283 138.1301 16.16098 138.6122 19.36850 139.0943 22.04913 139.5765 24.28378 140.0586 25.92044 140.5407 26.51993 141.0228 25.54471 141.5049 24.18430 141.9870 22.46387 142.4692 20.32275 142.9513 17.60687 143.4334 14.07635 143.9155 10.35400 144.3976 6.440308 144.8797 1.433319 145.3619 1.497833 145.8440 1.908234 146.3261 8.1603996E-02 146.8082 2.825226 147.2903 7.049683 147.7724 12.05298 148.2546 17.64542 148.7367 24.74826 149.2188 31.04263 149.7009 36.53696 150.1830 41.21689 150.6651 44.14554 151.1473 44.78790 151.6294 44.04184 152.1115 42.55673 152.5936 39.50827 153.0757 36.73511 153.5578 34.25174 154.0400 32.04300 154.5221 30.89920 155.0042 31.40079 155.4863 32.60626 155.9684 33.70325 156.4505 34.28961 156.9327 35.01927 157.4148 35.93967 157.8969 37.01460 158.3790 38.61871 158.8611 40.63551 159.3432 43.26764 159.8254 46.73943 160.3075 50.78929 160.7896 55.94557 161.2717 62.75377 161.7538 71.56407 162.2359 80.24786 162.7181 87.52679 163.2002 94.36993 163.6823 102.1230 164.1644 111.6276 164.6465 121.9251 165.1286 132.7455 165.6108 144.3463 166.0929 155.4151 166.5750 165.7110 167.0571 175.0939 167.5392 183.3066 168.0213 191.6718 168.5035 198.0333 168.9856 200.6615 169.4677 198.9497 169.9498 194.8522 170.4319 189.6108 170.9140 183.3594 171.3962 175.6783 171.8783 163.9538 172.3604 150.7574 172.8425 138.5902 173.3246 127.6931 173.8067 117.4832 174.2889 107.5161 174.7710 97.92859 175.2531 89.15312 175.7352 81.47365 176.2173 75.04660 176.6994 69.85814 177.1816 66.10709 177.6637 63.47298 178.1458 61.08501 178.6279 59.05202 179.1100 57.99106 179.5921 58.49623 180.0743 60.12331 180.5564 61.84625 181.0385 63.25174 181.5206 64.88585 182.0027 67.82700 182.4848 71.96800 182.9670 76.30168 183.4491 80.47229 183.9312 84.37613 184.4133 87.55820 184.8954 89.92429 185.3775 91.55566 185.8596 92.29953 186.3418 92.16179 186.8239 91.90298 187.3060 92.02495 187.7881 92.51215 188.2702 93.35391 188.7523 94.67200 189.2345 96.28242 189.7166 97.76663 190.1987 99.13815 190.6808 100.3874 191.1629 101.5653 191.6451 102.6548 192.1272 103.5222 192.6093 104.6958 193.0914 105.5867 193.5735 105.5560 194.0556 104.5959 194.5378 102.7092 195.0199 99.75717 195.5020 95.77402 195.9841 91.36758 196.4662 86.59995 196.9483 81.55656 197.4305 76.55714 197.9126 71.58427 198.3947 66.74141 198.8768 62.36905 199.3589 58.46068 199.8410 54.49046 200.3232 50.35674 200.8053 46.07460 201.2874 41.56567 201.7695 36.84261 202.2516 31.94240 202.7337 26.66634 203.2159 20.92352 203.6980 15.80859 204.1801 11.66037 204.6622 8.407898 205.1443 5.752319 205.6264 3.836533 206.1086 2.180786 206.5907 0.1114040 207.0728 2.550842 207.5549 4.524109 208.0370 5.331100 208.5191 5.049164 209.0013 5.000000 209.4834 5.253738 209.9655 5.609650 210.4476 5.916748 210.9297 6.235077 211.4118 6.243622 211.8940 5.814758 212.3761 4.958054 212.8582 4.095200 213.3403 3.215149 213.8224 2.358276 214.3045 1.585297 214.7867 0.9553070 215.2688 0.1991270 215.7509 0.8334350 216.2330 2.133987 216.7151 3.039627 217.1972 3.307022 217.6794 3.511353 218.1615 4.422668 218.6436 6.566116 219.1257 8.013992 219.6078 8.057587 220.0899 6.684357 220.5721 6.163956 221.0542 6.899826 221.5363 7.994370 222.0184 8.399925 222.5005 7.565468 222.9826 7.356689 223.4648 8.388229 223.9469 10.69215 224.4290 12.40601 224.9111 13.40263 225.3932 13.97632 225.8753 14.34135 226.3575 14.22950 226.8396 14.50680 227.3217 15.49483 227.8038 17.21622 228.2859 18.44690 228.7680 18.86415 229.2502 19.15012 229.7323 20.00763 230.2144 21.84581 230.6965 23.45776 231.1786 24.70683 231.6607 25.59534 232.1429 25.78169 232.6250 24.70345 233.1071 23.55415 233.5892 23.54991 234.0713 25.53635 234.5534 26.94157 235.0356 27.06395 235.5177 25.96471 235.9998 25.58846 236.4819 26.25298 236.9640 27.28566 237.4461 28.12555 237.9283 28.65733 238.4104 29.21877 238.8925 29.84705 239.3746 30.54433 239.8567 31.30521 240.3388 32.17604 240.8210 33.06113 241.3031 33.89630 241.7852 34.70605 242.2673 35.40440 242.7494 35.91649 243.2315 36.27109 243.7137 36.75766 244.1958 37.31654 244.6779 38.08307 245.1600 39.20673 245.6421 40.96744 246.1242 42.51219 246.6064 43.77049 247.0885 44.74516 247.5706 45.44575 248.0527 45.83584 248.5348 45.99590 249.0169 45.98354 249.4990 45.84987 249.9812 45.44034 250.4633 44.74847 250.9454 43.77267 251.4275 42.38704 251.9096 40.11783 252.3917 38.14691 252.8739 37.31097 253.3560 38.29112 253.8381 38.72018 254.3202 38.33086 254.8023 37.30066 255.2844 36.24919 255.7666 35.07597 256.2487 34.04600 256.7308 33.35503 257.2129 33.18405 257.6950 32.82942 258.1772 32.18208 258.6593 31.36550 259.1414 30.72562 259.6235 30.38925 260.1056 29.96172 260.5877 29.21273 261.0699 27.98118 261.5520 26.93761 262.0341 26.11147 262.5162 25.45190 262.9983 24.87873 263.4804 24.47261 263.9626 23.96975 264.4447 23.19615 264.9268 22.02724 265.4089 20.82363 265.8910 19.63866 266.3731 18.57899 266.8553 17.73369 267.3374 17.17758 267.8195 16.55513 268.3016 15.71693 268.7837 14.63728 269.2658 13.54862 269.7480 12.30493 270.2301 11.34258 270.7122 11.48012 271.1943 13.11769 271.6764 14.34991 272.1585 14.29521 272.6407 12.94298 273.1228 12.46608 273.6049 13.12706 274.0870 14.19698 274.5691 14.77956 275.0512 14.72758 275.5334 14.72493 276.0155 14.94965 276.4976 15.42329 276.9797 16.19225 277.4618 17.31126 277.9439 18.37337 278.4260 18.90273 278.9081 18.83630 279.3903 19.03618 279.8724 19.66171 280.3545 20.62074 280.8366 21.74214 281.3187 23.13626 281.8008 24.38977 282.2830 25.01587 282.7651 24.99316 283.2472 25.08594 283.7293 25.45172 284.2114 26.02518 284.6935 26.64601 285.1757 27.33414 285.6578 27.99208 286.1399 28.38585 286.6220 28.55714 287.1041 29.22360 287.5862 30.58511 288.0684 32.33572 288.5505 33.73570 289.0326 34.78716 289.5147 36.00760 289.9968 37.75618 290.4789 39.97269 290.9611 42.23137 291.4432 44.46533 291.9253 46.89304 292.4074 49.91389 292.8895 53.49770 293.3716 57.07370 293.8538 60.38953 294.3359 63.50351 294.8180 66.51382 295.3001 69.34209 295.7822 72.32478 296.2643 76.02670 296.7465 80.29333 297.2286 84.46683 297.7107 88.38901 298.1928 92.04439 298.6749 95.43452 299.1570 98.59857 299.6392 101.2109 300.1213 103.0655 300.6034 104.1012 301.0855 104.0481 301.5676 102.5479 302.0497 100.0786 302.5319 97.16776 303.0140 93.81305 303.4961 90.36865 303.9782 87.17000 304.4603 84.05383 304.9424 80.53279 305.4246 76.03496 305.9067 71.64008 306.3888 68.98097 306.8709 67.70232 307.3530 66.01772 307.8351 61.63902 308.3173 56.65154 308.7994 53.82753 309.2815 54.63083 309.7636 55.76466 310.2457 54.28041 310.7278 50.98631 311.2100 48.09132 311.6921 46.82397 312.1742 46.44867 312.6563 46.50755 313.1384 47.08250 313.6205 47.50864 314.1027 47.24478 314.5848 46.59221 315.0669 46.07414 315.5490 46.48842 316.0311 46.67247 316.5132 45.75946 316.9954 43.57828 317.4775 41.37329 317.9596 39.66626 318.4417 38.22842 318.9238 36.78464 319.4059 35.46008 319.8881 33.91570 320.3702 31.82434 320.8523 29.20792 321.3344 26.95670 321.8165 25.39955 322.2986 24.26579 322.7808 23.34988 323.2629 22.40971 323.7450 21.90392 324.2271 22.22992 324.7092 23.19063 325.1913 23.79379 325.6735 23.60909 326.1556 23.24190 326.6377 22.99022 327.1198 22.87848 327.6019 22.88986 328.0840 23.42084 328.5662 24.09555 329.0483 23.96922 329.5304 22.43793 330.0125 20.67216 330.4946 19.10776 330.9767 18.06639 331.4589 16.31992 331.9410 13.54161 332.4231 10.19632 332.9052 6.860733 333.3873 3.080170 333.8694 3.9749000E-02 334.3516 2.083435 334.8337 2.988220 335.3158 3.979019 335.7979 5.336853 336.2800 6.453125 336.7621 6.666351 337.2443 5.634003 337.7264 4.626038 338.2085 3.860092 338.6906 3.289215 339.1727 2.588181 339.6548 1.732910 340.1370 0.7948910 340.6191 7.5911999E-02 341.1012 0.7670140 341.5833 2.217224 342.0654 4.771667 342.5475 7.832184 343.0297 9.964523 343.5118 11.06068 343.9939 11.90291 344.4760 12.81874 344.9581 13.79567 345.4402 14.96300 345.9224 16.40924 346.4045 17.73639 346.8866 18.35617 347.3687 18.30205 347.8508 17.90167 348.3329 17.19330 348.8151 16.24918 349.2972 15.20848 349.7793 14.06787 350.2614 13.00220 350.7435 12.15880 351.2256 11.53288 351.7078 11.12575 352.1899 11.04976 352.6720 11.07060 353.1541 10.77666 353.6362 10.23047 354.1183 9.821472 354.6005 9.990311 355.0826 10.40456 355.5647 10.62962 356.0468 10.61090 356.5289 10.31386 357.0110 9.354843 357.4932 8.070694 357.9753 7.251251 358.4574 7.973373 358.9395 8.884094 359.4216 8.695114 359.9037 7.179245 360.3859 5.816803 360.8680 5.942688 361.3501 6.558228 361.8322 6.448807 362.3143 4.233124 362.7964 2.085022 363.2786 1.117416 363.7607 1.232941 364.2428 1.187668 364.7249 0.3088840 365.2070 0.7195890 365.6891 1.430557 366.1713 1.637802 366.6534 1.649734 367.1355 1.474670 367.6176 1.138168 368.0997 0.7123410 368.5818 1.0635000E-02 369.0640 0.6406100 369.5461 0.9979400 370.0282 0.8822170 370.5103 0.9841770 370.9924 1.430176 371.4745 2.043350 371.9567 2.567200 372.4388 2.686386 372.9209 3.190887 373.4030 4.420639 373.8851 6.406876 374.3672 7.872269 374.8494 8.588272 375.3315 9.109131 375.8136 9.885651 376.2957 11.01039 376.7778 12.05247 377.2599 12.80424 377.7421 13.49693 378.2242 15.01932 378.7063 17.55110 379.1884 20.11266 379.6705 22.11269 380.1526 23.56332 380.6348 25.00432 381.1169 26.56438 381.5990 27.83598 382.0811 27.94803 382.5632 26.98491 383.0453 26.31897 383.5275 26.61673 384.0096 27.60233 384.4917 28.48517 384.9738 29.26364 385.4559 30.09644 385.9380 31.30501 386.4202 32.69208 386.9023 33.71895 387.3844 34.10378 387.8665 34.31917 388.3486 35.10544 388.8307 36.28943 389.3129 37.17703 389.7950 36.78255 390.2771 36.14058 390.7592 36.58360 391.2413 38.51659 391.7234 40.35117 392.2056 40.71620 392.6877 40.26367 393.1698 39.98210 393.6519 40.77550 394.1340 41.37990 394.6161 41.06630 395.0983 39.89029 395.5804 38.65880 396.0625 37.56812 396.5446 36.56377 397.0267 35.61473 397.5089 34.72037 397.9910 33.87875 398.4731 33.20558 398.9552 32.57730 399.4373 31.66595 399.9194 29.97121 400.4016 28.39973 400.8837 27.34261 401.3658 26.96567 401.8479 26.73315 402.3300 26.36205 402.8121 26.21494 403.2942 26.79984 403.7763 28.48055 404.2585 30.17624 404.7406 31.59494 405.2227 32.78664 405.7048 34.18636 406.1869 35.71846 406.6690 37.66177 407.1512 40.38057 407.6333 43.99265 408.1154 47.19913 408.5975 49.76860 409.0796 52.06891 409.5617 54.96118 410.0439 58.45940 410.5260 61.91208 411.0081 64.60710 411.4902 66.90523 411.9723 70.65408 412.4544 76.00444 412.9366 81.79434 413.4187 86.99808 413.9008 91.82704 414.3829 96.78409 414.8650 102.0094 415.3471 107.5152 415.8293 113.4058 416.3114 119.6354 416.7935 125.7403 417.2756 131.2029 417.7577 136.5351 418.2398 142.2639 418.7220 148.6411 419.2041 154.8971 419.6862 160.9332 420.1683 166.5841 420.6504 171.4357 421.1325 175.4663 421.6147 178.7034 422.0968 181.3927 422.5789 183.5216 423.0610 184.1402 423.5431 182.2804 424.0252 179.3146 424.5074 176.1077 424.9895 173.7705 425.4716 169.9906 425.9537 163.8251 426.4358 156.1334 426.9179 148.7757 427.4001 141.6441 427.8822 134.8525 428.3643 128.3775 428.8464 122.1748 429.3285 116.6127 429.8106 111.7924 430.2928 107.4987 430.7749 103.4059 431.2570 99.41989 431.7391 96.18390 432.2212 93.95038 432.7033 92.46002 433.1855 90.84756 433.6676 89.06493 434.1497 87.57828 434.6318 86.53571 435.1139 85.98555 435.5960 86.27863 436.0782 87.48114 436.5603 89.29692 437.0424 91.48962 437.5245 94.00909 438.0066 96.64349 438.4887 99.08170 438.9709 101.7754 439.4530 105.8643 439.9351 111.0952 440.4172 115.5685 440.8993 117.9241 441.3814 118.9799 441.8636 119.6560 442.3457 120.2822 442.8278 120.0494 443.3099 118.7475 443.7920 116.2400 444.2741 112.2666 444.7563 106.1146 445.2384 99.11032 445.7205 91.41745 446.2026 83.06168 446.6847 75.17754 447.1668 68.06439 447.6490 61.52148 448.1311 55.42680 448.6132 49.94542 449.0953 44.74545 449.5774 39.82550 450.0595 35.21681 450.5417 31.02045 451.0238 27.30280 451.5059 23.96550 451.9880 21.03627 452.4701 18.50713 452.9522 16.05426 453.4344 13.58237 453.9165 11.31549 454.3986 9.501556 454.8807 8.154755 455.3628 6.760056 455.8449 5.147964 456.3271 3.544983 456.8092 2.560562 457.2913 2.129501 457.7734 1.515381 458.2555 4.5867998E-02 458.7376 2.011139 459.2198 3.191589 459.7019 3.518234 460.1840 3.471497 460.6661 3.415314 461.1482 3.274902 461.6303 2.910568 462.1125 2.056854 462.5946 1.232376 463.0767 0.9025730 463.5588 0.9289550 464.0409 0.9174350 464.5230 0.8337100 465.0052 0.5082240 465.4873 0.2446900 465.9694 1.496017 466.4515 2.679291 466.9336 3.673187 467.4157 4.490967 467.8979 5.154434 468.3800 5.173111 468.8621 5.690094 469.3442 6.931381 469.8263 8.761566 470.3084 10.69218 470.7906 12.71544 471.2727 14.83902 471.7548 17.03929 472.2369 19.27104 472.7190 21.66515 473.2011 24.39383 473.6833 27.09222 474.1654 29.07217 474.6475 30.28430 475.1296 32.33760 475.6117 35.80962 476.0938 40.10086 476.5760 43.56252 477.0581 46.27797 477.5402 49.43329 478.0223 54.26312 478.5044 60.02147 478.9865 64.98540 479.4687 68.93622 479.9508 73.04257 480.4329 78.39182 480.9150 84.49651 481.3971 90.60847 481.8792 96.10258 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