#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:11:01 +0300 (Thu, 26 Apr 2018) $ #$Revision: 450 $ #$URL: svn://172.16.1.111/rod/cif/2/10/00/2100000.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_2100000 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 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 R050195.rod _rod_data_source.block 3500000 _rod_database.code 2100000 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 134.9100 0.0000000E+00 135.3921 1.880096 135.8742 0.3641660 136.3563 0.1195070 136.8384 1.746582 137.3205 4.049957 137.8027 6.643005 138.2848 9.792786 138.7669 14.12579 139.2490 19.20526 139.7311 23.38724 140.2132 25.78726 140.6954 27.36746 141.1775 29.42746 141.6596 32.10587 142.1417 34.30319 142.6238 34.67520 143.1059 32.89404 143.5881 31.41174 144.0702 30.68375 144.5523 30.64609 145.0344 31.32132 145.5165 32.70822 145.9986 34.77200 146.4807 37.44391 146.9629 40.64908 147.4450 44.71567 147.9271 50.92776 148.4092 57.36487 148.8913 62.22809 149.3734 64.66898 149.8556 64.95673 150.3377 64.16174 150.8198 61.33710 151.3019 58.29263 151.7840 54.58469 152.2661 50.92960 152.7483 48.36526 153.2304 47.52014 153.7125 48.24707 154.1946 49.19098 154.6767 49.83612 155.1588 51.01859 155.6410 53.13281 156.1231 56.09235 156.6052 59.55487 157.0873 63.30545 157.5694 67.38852 158.0515 71.74048 158.5337 75.39700 159.0158 79.94318 159.4979 86.78885 159.9800 96.05643 160.4621 106.5211 160.9442 117.5150 161.4264 129.0143 161.9085 140.8715 162.3906 153.1109 162.8727 165.6684 163.3548 178.5746 163.8369 191.8441 164.3191 205.4748 164.8012 220.1325 165.2833 235.2335 165.7654 249.0979 166.2475 261.3845 166.7296 271.8323 167.2118 279.6924 167.6939 285.4544 168.1760 287.5099 168.6581 285.8525 169.1402 281.2783 169.6223 273.2253 170.1045 260.9191 170.5866 244.0493 171.0687 226.6016 171.5508 207.7178 172.0329 189.5603 172.5150 172.4169 172.9972 156.5806 173.4793 142.0711 173.9614 128.7639 174.4435 116.8328 174.9256 105.9591 175.4077 95.85703 175.8899 86.81403 176.3720 79.14520 176.8541 72.89641 177.3362 67.77493 177.8183 63.43636 178.3004 59.96344 178.7826 57.23895 179.2647 54.91745 179.7468 53.43604 180.2289 53.43784 180.7110 55.03996 181.1931 57.37428 181.6752 59.18332 182.1574 60.39496 182.6395 61.26366 183.1216 61.77562 183.6037 62.01718 184.0858 62.20239 184.5679 62.49478 185.0501 62.40596 185.5322 60.82031 186.0143 57.67908 186.4964 54.54993 186.9785 51.87459 187.4606 49.61786 187.9428 47.66043 188.4249 45.98111 188.9070 44.61360 189.3891 43.65686 189.8712 43.14429 190.3533 42.52115 190.8355 41.33752 191.3176 39.66153 191.7997 38.14857 192.2818 37.09949 192.7639 36.56912 193.2460 35.91919 193.7282 35.14909 194.2103 33.95605 194.6924 31.81227 195.1745 28.56720 195.6566 25.55493 196.1387 22.83379 196.6209 20.59280 197.1030 19.19157 197.5851 18.62752 198.0672 18.29599 198.5493 17.44646 199.0314 15.97107 199.5136 14.30058 199.9957 12.52705 200.4778 10.56444 200.9599 8.303741 201.4420 5.727264 201.9241 2.979523 202.4063 0.1617580 202.8884 3.259369 203.3705 5.642868 203.8526 6.487457 204.3347 6.752075 204.8168 7.239944 205.2990 8.162384 205.7811 9.103180 206.2632 9.240982 206.7453 7.649948 207.2274 6.533859 207.7095 6.206879 208.1917 6.161423 208.6738 5.940338 209.1559 5.391800 209.6380 4.666809 210.1201 4.056854 210.6022 3.739716 211.0844 3.264297 211.5665 2.758377 212.0486 2.035461 212.5307 0.8098300 213.0128 1.034195 213.4949 3.242569 213.9771 5.339935 214.4592 7.339966 214.9413 9.197098 215.4234 10.86562 215.9055 12.40051 216.3876 13.97470 216.8698 15.71709 217.3519 17.30640 217.8340 17.95224 218.3161 17.46152 218.7982 17.15178 219.2803 17.36098 219.7625 18.05957 220.2446 19.32376 220.7267 21.43100 221.2088 23.66364 221.6909 24.84535 222.1730 24.86533 222.6552 24.98598 223.1373 25.91167 223.6194 27.45546 224.1015 28.95651 224.5836 30.21014 225.0657 31.40990 225.5479 32.77501 226.0300 34.30821 226.5121 35.85692 226.9942 37.28781 227.4763 38.62132 227.9584 40.09358 228.4406 41.95506 228.9227 43.74615 229.4048 45.25562 229.8869 46.46036 230.3690 47.13702 230.8511 46.86554 231.3333 45.67586 231.8154 44.75844 232.2975 44.49370 232.7796 44.35397 233.2617 43.98331 233.7438 43.40620 234.2260 42.89404 234.7081 42.58318 235.1902 42.45195 235.6723 42.85168 236.1544 44.44441 236.6365 46.07248 237.1187 47.16980 237.6008 47.78346 238.0829 48.30608 238.5650 49.12602 239.0471 50.29694 239.5292 51.35886 240.0114 52.21887 240.4935 53.04071 240.9756 53.89980 241.4577 54.78551 241.9398 55.61821 242.4219 56.25616 242.9041 56.60916 243.3862 57.44856 243.8683 59.15691 244.3504 61.00226 244.8325 62.93103 245.3146 64.79420 245.7968 66.33804 246.2789 67.31412 246.7610 67.69276 247.2431 67.78583 247.7252 67.41583 248.2073 66.95712 248.6895 66.58125 249.1716 66.23860 249.6537 65.75716 250.1358 64.96385 250.6179 63.81915 251.1000 62.95374 251.5822 62.71918 252.0643 62.36411 252.5464 61.61340 253.0285 60.49706 253.5106 59.14363 253.9927 57.59598 254.4748 55.86197 254.9570 54.52937 255.4391 54.21915 255.9212 53.60880 256.4033 51.91385 256.8854 49.50145 257.3676 47.29910 257.8497 45.94699 258.3318 45.36093 258.8139 44.54453 259.2960 43.65614 259.7781 42.39043 260.2603 40.41840 260.7424 37.82811 261.2245 35.07410 261.7066 32.43057 262.1887 29.98787 262.6708 28.08440 263.1530 27.04843 263.6351 25.97314 264.1172 24.77472 264.5993 23.49023 265.0814 21.82632 265.5635 19.47481 266.0457 16.79073 266.5278 15.07648 267.0099 14.87093 267.4920 14.59515 267.9741 13.59390 268.4562 12.15443 268.9384 10.86456 269.4204 9.923050 269.9026 9.335693 270.3847 9.168823 270.8668 9.459503 271.3489 10.00006 271.8310 11.02147 272.3131 12.17708 272.7953 12.73575 273.2774 12.35526 273.7595 11.60252 274.2416 11.43983 274.7237 11.90430 275.2058 12.34923 275.6880 12.31645 276.1701 12.17442 276.6522 12.73163 277.1343 14.35428 277.6164 16.16856 278.0985 17.05139 278.5807 17.11369 279.0628 17.16141 279.5449 17.35959 280.0270 17.60532 280.5091 17.75354 280.9912 17.77623 281.4734 17.80573 281.9555 18.10692 282.4376 18.58397 282.9197 18.75473 283.4018 18.10167 283.8839 17.24330 284.3661 17.07953 284.8482 17.74585 285.3303 18.58299 285.8124 19.07356 286.2945 19.35117 286.7766 19.73512 287.2588 20.26945 287.7409 20.94914 288.2230 21.87515 288.7051 23.07864 289.1872 24.07571 289.6693 24.24284 290.1515 24.10896 290.6336 24.60767 291.1157 26.03381 291.5978 27.94603 292.0799 30.09366 292.5620 32.48680 293.0442 34.64505 293.5263 36.19621 294.0084 37.51283 294.4905 39.04858 294.9726 40.84576 295.4547 42.89694 295.9369 45.40944 296.4190 48.28946 296.9011 50.60527 297.3832 51.69574 297.8653 52.46822 298.3474 54.12079 298.8296 56.73186 299.3117 58.96826 299.7938 59.89421 300.2759 59.72992 300.7580 59.38147 301.2401 59.02972 301.7223 58.59402 302.2044 58.07878 302.6865 57.42029 303.1686 56.41739 303.6507 54.69339 304.1328 52.55969 304.6150 51.05385 305.0971 50.51434 305.5792 50.19559 306.0613 49.36270 306.5434 48.25851 307.0255 47.58517 307.5077 47.62115 307.9898 48.29254 308.4719 49.63412 308.9540 51.91119 309.4361 54.03624 309.9182 55.00813 310.4004 55.42999 310.8825 56.23685 311.3646 57.93979 311.8467 59.93362 312.3288 61.26497 312.8109 61.81900 313.2931 62.52512 313.7752 64.49838 314.2573 66.53296 314.7394 67.14685 315.2215 65.84682 315.7036 63.71307 316.1858 61.70720 316.6679 59.83075 317.1500 57.81961 317.6321 55.63286 318.1142 53.21454 318.5963 50.35117 319.0785 46.97424 319.5606 43.91563 320.0427 42.11447 320.5248 41.30289 321.0069 39.74170 321.4890 36.34209 321.9712 33.21500 322.4533 32.39558 322.9354 33.57004 323.4175 34.84795 323.8996 35.51364 324.3817 35.56323 324.8639 34.71622 325.3460 32.43616 325.8281 30.51117 326.3102 30.91982 326.7923 32.68192 327.2744 33.67081 327.7566 32.81267 328.2387 30.94284 328.7208 29.33336 329.2029 28.08592 329.6850 26.53284 330.1671 24.02518 330.6493 21.04492 331.1314 18.29172 331.6135 16.03743 332.0956 13.80286 332.5777 10.90259 333.0598 7.383392 333.5420 4.439133 334.0241 2.881897 334.5062 1.881287 334.9883 3.2515999E-02 335.4704 2.988876 335.9525 5.328049 336.4347 5.373093 336.9168 3.653229 337.3989 2.186981 337.8810 1.447327 338.3631 1.034622 338.8452 0.5451660 339.3274 1.0849000E-02 339.8094 0.5930790 340.2916 1.089813 340.7737 1.624496 341.2558 2.463409 341.7379 3.686417 342.2200 4.996338 342.7021 6.298157 343.1843 7.513962 343.6664 8.341644 344.1485 8.414108 344.6306 8.278610 345.1127 8.634598 345.5948 9.464767 346.0770 9.911835 346.5591 9.362350 347.0412 8.110458 347.5233 7.099487 348.0054 6.506439 348.4875 5.870453 348.9697 4.879211 349.4518 3.614853 349.9339 2.315521 350.4160 0.9902190 350.8981 0.2050480 351.3802 0.9241490 351.8624 1.077652 352.3445 1.360519 352.8266 2.278305 353.3087 3.370468 353.7908 3.775208 354.2729 3.254501 354.7551 2.695984 355.2372 3.337509 355.7193 5.217178 356.2014 5.922531 356.6835 4.128159 357.1656 1.862259 357.6478 0.6641540 358.1299 0.5997770 358.6120 1.218033 359.0941 2.500626 359.5762 4.189789 360.0583 4.687378 360.5405 3.210876 361.0226 1.524933 361.5047 0.1816250 361.9868 0.8305510 362.4689 1.520874 362.9510 1.847244 363.4332 1.981888 363.9153 2.323517 364.3974 2.939148 364.8795 3.612686 365.3616 4.501862 365.8438 5.347183 366.3259 5.634201 366.8080 5.304474 367.2901 5.165146 367.7722 6.299057 368.2543 9.206787 368.7365 11.23575 369.2186 11.46686 369.7007 11.67815 370.1828 13.02379 370.6649 15.34433 371.1470 17.78897 371.6292 19.75983 372.1113 21.28590 372.5934 22.69777 373.0755 23.82169 373.5576 25.03781 374.0397 26.53603 374.5219 28.13976 375.0040 29.59045 375.4861 30.78551 375.9682 31.79051 376.4503 32.73380 376.9324 33.30769 377.4146 34.34857 377.8967 36.19193 378.3788 38.21928 378.8609 40.09163 379.3430 41.70174 379.8251 43.03522 380.3073 43.21527 380.7894 44.71666 381.2715 45.47386 381.7536 45.52724 382.2357 42.76187 382.7178 43.64105 383.2000 43.06248 383.6821 42.42621 384.1642 43.82417 384.6463 41.47948 385.1284 42.84933 385.6105 42.73935 386.0927 43.30960 386.5748 42.41319 387.0569 41.97244 387.5390 41.76530 388.0211 42.28149 388.5032 42.71762 388.9854 42.61125 389.4675 41.78442 389.9496 41.40985 390.4317 42.13849 390.9138 42.92755 391.3959 41.79752 391.8781 43.16026 392.3602 43.77032 392.8423 43.65189 393.3244 40.33943 393.8065 41.03227 394.2886 40.17764 394.7708 39.41942 395.2529 41.06525 395.7350 38.66135 396.2171 40.47736 396.6992 40.74425 397.1813 41.86430 397.6635 41.44749 398.1456 41.61174 398.6277 43.48421 399.1098 44.52905 399.5919 44.22975 400.0740 45.87401 400.5562 44.25800 401.0383 45.64563 401.5204 48.37250 402.0025 48.53674 402.4846 50.59740 402.9667 50.29961 403.4489 52.23552 403.9310 55.25711 404.4131 59.01532 404.8952 62.22186 405.3773 63.95424 405.8594 65.56766 406.3416 68.32031 406.8237 72.09570 407.3058 75.97328 407.7879 79.48866 408.2700 82.78949 408.7521 86.18219 409.2343 89.33527 409.7164 93.19037 410.1985 98.62689 410.6806 104.6980 411.1627 109.8996 411.6448 113.9130 412.1269 117.6873 412.6090 122.2505 413.0912 127.7008 413.5733 133.1969 414.0554 138.4653 414.5375 144.2431 415.0196 151.1626 415.5017 158.9238 415.9839 166.7752 416.4660 174.2746 416.9481 181.4096 417.4302 188.2369 417.9123 195.1472 418.3944 201.4548 418.8766 206.8103 419.3587 211.6572 419.8408 216.6173 420.3229 221.7554 420.8050 226.4235 421.2871 229.7520 421.7693 231.6324 422.2514 232.5153 422.7335 232.4388 423.2156 231.4115 423.6977 229.5561 424.1798 226.7324 424.6620 222.5772 425.1441 216.7319 425.6262 209.5516 426.1083 202.3436 426.5904 194.9960 427.0725 187.7951 427.5547 180.5410 428.0368 173.5929 428.5189 167.3782 429.0010 161.9742 429.4831 156.9789 429.9652 151.7693 430.4474 146.3354 430.9295 142.1761 431.4116 140.1347 431.8937 138.5216 432.3758 136.0067 432.8579 132.9886 433.3401 130.6156 433.8222 129.5782 434.3043 129.3450 434.7864 128.9780 435.2685 128.4075 435.7506 128.4043 436.2328 129.2288 436.7149 130.9495 437.1970 133.7087 437.6791 137.8969 438.1612 141.7917 438.6433 144.0698 439.1255 145.4701 439.6076 147.8232 440.0897 151.6761 440.5718 155.3526 441.0539 157.2863 441.5360 157.3791 442.0182 156.1096 442.5003 153.6372 442.9824 149.6793 443.4645 143.7657 443.9466 136.1736 444.4287 127.6900 444.9109 118.5671 445.3930 109.0943 445.8751 99.83502 446.3572 90.73645 446.8393 82.04164 447.3214 73.41470 447.8036 65.39105 448.2857 58.47835 448.7678 52.70972 449.2499 47.57594 449.7320 42.59349 450.2141 37.73439 450.6963 33.61127 451.1784 30.84258 451.6605 28.12279 452.1426 25.13586 452.6247 22.02615 453.1068 18.95337 453.5890 15.98712 454.0711 13.26949 454.5532 11.18958 455.0353 9.950363 455.5174 8.612320 455.9995 6.697617 456.4817 4.967148 456.9638 3.990158 457.4459 3.624069 457.9280 3.232147 458.4101 2.299515 458.8922 1.030716 459.3744 2.8763000E-02 459.8565 0.7404170 460.3386 1.130661 460.8207 0.7945250 461.3028 0.1473240 461.7849 0.2819370 462.2671 0.3129270 462.7492 0.5444950 463.2313 1.634171 463.7134 3.267471 464.1955 4.502487 464.6776 5.165482 465.1598 5.612946 465.6419 5.884903 466.1240 6.009888 466.6061 6.800598 467.0882 8.805649 467.5703 11.22516 468.0525 13.42174 468.5346 15.48540 469.0167 17.89680 469.4988 20.90923 469.9809 24.24202 470.4630 27.29393 470.9452 29.65698 471.4273 32.62044 471.9094 36.45265 472.3915 40.77661 472.8736 45.36380 473.3557 50.09964 473.8379 54.84891 474.3200 59.49634 474.8021 64.08148 475.2842 68.81963 475.7663 73.74420 476.2484 78.71230 476.7306 83.53174 477.2127 88.55988 477.6948 94.26230 478.1769 100.6967 478.6590 107.2760 479.1411 113.0968 479.6233 118.0760 480.1054 123.5549 480.5875 129.5239 481.0696 136.1625 481.5517 143.5131 482.0338 151.4867 482.5159 160.0220 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