#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:29:12 +0300 (Thu, 26 Apr 2018) $ #$Revision: 486 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000041.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_1000041 loop_ _publ_author_name 'Malinovskii Yu, A.' 'Yamnova, N. A.' 'Belov, N. V.' _publ_section_title ; The refined crystal structure of the leucosphenite ; _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_page_first 1128 _journal_page_last 1132 _journal_volume 257 _journal_year 1981 _chemical_compound_source R060201 _chemical_formula_sum 'B2 Ba Na4 O30 Si10 Ti2' _chemical_name_mineral Leucosphenite _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 93.35 _cell_angle_gamma 90 _cell_length_a 9.814 _cell_length_b 16.851 _cell_length_c 7.210 _cell_volume 1190.321 _exptl_crystal_density_diffrn 3.090 _cod_original_formula_sum 'Ba Na4 Ti2 B2 Si10 O30' _cod_database_code 9009548 _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 R060201.rod _rod_data_source.block 3500000 _rod_database.code 1000041 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 9009548 COD http://www.crystallography.net/cod/9009548.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 108.7012 0.0000000E+00 109.1833 0.6474950 109.6655 2.904058 110.1476 4.177488 110.6297 5.216595 111.1118 8.018600 111.5939 13.50070 112.0760 19.20144 112.5582 22.92077 113.0403 25.09429 113.5224 26.07647 114.0045 25.27242 114.4866 22.62143 114.9688 19.91010 115.4509 17.52027 115.9330 15.25521 116.4151 12.90574 116.8972 11.87197 117.3793 11.67114 117.8615 12.21041 118.3436 13.56755 118.8257 14.09499 119.3078 13.54054 119.7899 12.38134 120.2720 11.47450 120.7542 10.29124 121.2363 9.068644 121.7184 7.702238 122.2005 5.930139 122.6826 4.291234 123.1647 2.863677 123.6468 1.578107 124.1290 0.3081610 124.6111 1.058759 125.0932 0.1781950 125.5753 0.6439750 126.0574 1.042888 126.5395 1.050028 127.0217 0.4551200 127.5038 0.6253280 127.9859 1.473564 128.4680 1.056520 128.9501 1.065575 129.4323 0.8322510 129.9144 6.9758996E-02 130.3965 1.034707 130.8786 1.121031 131.3607 9.2979996E-03 131.8428 0.6520260 132.3250 0.8878670 132.8071 3.752157 133.2892 6.503619 133.7713 8.486720 134.2534 9.875067 134.7355 11.26118 135.2177 12.54391 135.6998 14.01640 136.1819 15.81615 136.6640 17.89351 137.1461 20.09257 137.6282 22.41571 138.1104 24.91669 138.5925 26.97488 139.0746 27.69247 139.5567 28.70293 140.0388 30.85004 140.5209 34.02168 141.0031 37.46468 141.4852 40.32086 141.9673 42.25448 142.4494 44.22767 142.9315 46.40361 143.4136 48.51476 143.8958 50.29633 144.3779 51.71065 144.8600 53.07787 145.3421 54.94067 145.8242 57.76308 146.3063 60.21620 146.7885 61.69388 147.2706 62.96080 147.7527 65.27374 148.2348 69.28430 148.7169 73.71199 149.1990 75.90411 149.6812 75.99435 150.1633 74.76796 150.6454 71.80567 151.1275 67.62739 151.6096 64.36090 152.0917 62.27401 152.5739 60.67767 153.0560 58.43597 153.5381 55.00101 154.0202 51.33925 154.5023 48.74191 154.9844 47.54386 155.4665 46.54952 155.9487 45.75304 156.4308 45.44642 156.9129 45.79950 157.3950 46.86670 157.8771 48.52679 158.3592 50.63696 158.8414 53.22612 159.3235 56.23470 159.8056 60.76252 160.2877 65.14279 160.7698 67.88992 161.2519 68.43924 161.7341 67.42112 162.2162 66.16891 162.6983 65.36932 163.1804 63.20824 163.6625 58.80883 164.1446 53.50927 164.6268 48.20201 165.1089 43.15989 165.5910 38.87773 166.0731 35.81388 166.5552 35.27547 167.0373 34.64113 167.5195 33.44662 168.0016 31.76619 168.4837 29.73059 168.9658 27.34270 169.4479 24.66422 169.9300 22.86568 170.4122 22.57108 170.8943 22.36911 171.3764 22.02990 171.8585 21.37916 172.3406 19.67067 172.8227 15.82237 173.3049 10.31312 173.7870 6.947155 174.2691 6.812443 174.7512 8.009312 175.2333 9.280744 175.7154 10.58874 176.1976 11.78599 176.6797 12.77270 177.1618 13.56197 177.6439 14.13912 178.1260 14.09309 178.6081 13.98106 179.0903 14.61382 179.5724 16.05983 180.0545 18.08007 180.5366 21.18160 181.0187 24.66290 181.5008 27.30632 181.9830 28.15431 182.4651 27.72054 182.9472 28.04523 183.4293 29.81078 183.9114 31.26902 184.3935 31.69765 184.8757 31.41426 185.3578 30.89996 185.8399 30.49866 186.3220 30.18261 186.8041 29.33265 187.2862 27.64205 187.7684 25.74481 188.2505 23.75372 188.7326 21.63680 189.2147 19.26013 189.6968 16.43379 190.1789 13.20509 190.6611 10.47464 191.1432 8.435886 191.6253 6.658343 192.1074 5.185511 192.5895 3.898412 193.0716 2.488828 193.5538 0.5986840 194.0359 1.178138 194.5180 2.4666000E-02 195.0001 1.116988 195.4822 0.8807650 195.9643 0.7185650 196.4465 1.510499 196.9286 0.9968530 197.4107 0.9634860 197.8928 1.591400 198.3749 0.7063000 198.8570 0.8592370 199.3392 2.011430 199.8213 1.569081 200.3034 0.3994000 200.7855 1.389890 201.2676 1.146697 201.7497 1.083326 202.2319 0.8591610 202.7140 4.227952 203.1961 7.508298 203.6782 8.869636 204.1603 8.038536 204.6424 7.185533 205.1246 8.745216 205.6067 12.12925 206.0888 14.53896 206.5709 14.57313 207.0530 13.66230 207.5351 13.88273 208.0173 15.63459 208.4994 17.52048 208.9815 18.71521 209.4636 19.26075 209.9457 19.01645 210.4278 17.90757 210.9100 15.97411 211.3921 13.04919 211.8742 8.535863 212.3563 4.341068 212.8384 1.574089 213.3205 0.1387430 213.8027 1.380079 214.2848 2.286870 214.7669 1.976401 215.2490 1.224252 215.7311 4.2484999E-02 216.2132 0.8263720 216.6954 0.3236760 217.1775 0.8364500 217.6596 1.536847 218.1417 0.9413290 218.6238 0.6699850 219.1059 1.681658 219.5881 2.384538 220.0702 1.944125 220.5523 0.8198470 221.0344 0.9559190 221.5165 2.050649 221.9986 2.869325 222.4808 1.749439 222.9629 1.019101 223.4450 0.9240130 223.9271 1.017947 224.4092 1.332397 224.8913 1.759163 225.3735 2.103181 225.8556 2.203065 226.3377 2.112168 226.8198 2.475075 227.3019 4.386352 227.7840 5.603217 228.2662 4.809431 228.7483 3.032271 229.2304 2.251334 229.7125 3.878117 230.1946 7.558036 230.6767 9.338673 231.1589 7.749199 231.6410 6.037564 232.1231 4.753608 232.6052 3.944601 233.0873 3.565182 233.5694 3.593290 234.0516 4.013435 234.5337 4.762309 235.0158 6.157106 235.4979 7.470784 235.9800 8.600254 236.4621 9.491802 236.9443 10.02927 237.4264 10.11061 237.9085 9.824581 238.3906 9.573390 238.8727 8.361177 239.3548 8.234341 239.8370 10.81084 240.3191 15.08433 240.8012 18.51489 241.2833 19.72009 241.7654 19.40332 242.2475 19.67838 242.7297 20.57009 243.2118 21.86402 243.6939 23.62258 244.1760 25.73563 244.6581 27.91938 245.1402 30.15031 245.6224 32.25769 246.1045 33.80076 246.5866 34.38136 247.0687 35.49220 247.5508 38.47287 248.0329 42.73732 248.5151 46.07091 248.9972 47.22803 249.4793 47.76458 249.9614 50.15275 250.4435 54.70303 250.9256 58.98774 251.4078 61.63913 251.8899 62.72561 252.3720 63.43209 252.8541 63.91023 253.3362 64.24823 253.8183 64.53098 254.3005 64.68092 254.7826 64.42317 255.2647 63.42536 255.7468 61.82623 256.2289 60.25693 256.7110 58.56242 257.1931 57.21886 257.6753 56.82608 258.1574 57.17319 258.6395 57.22353 259.1216 56.22636 259.6037 54.50124 260.0858 53.54869 260.5680 54.11430 261.0501 54.39644 261.5322 52.81150 262.0143 49.95980 262.4964 47.66587 262.9785 47.33976 263.4607 48.66707 263.9428 49.72231 264.4249 49.96583 264.9070 50.75477 265.3891 52.97166 265.8712 56.12156 266.3534 59.18212 266.8355 61.43659 267.3176 63.13341 267.7997 65.53082 268.2818 69.76795 268.7639 72.88166 269.2461 73.57279 269.7282 72.69743 270.2103 71.53126 270.6924 70.82619 271.1745 70.18415 271.6566 68.16582 272.1388 63.86361 272.6209 59.80329 273.1030 56.74079 273.5851 54.21800 274.0672 51.76151 274.5493 49.26868 275.0315 46.73658 275.5136 43.92033 275.9957 40.34482 276.4778 37.55478 276.9599 35.79173 277.4420 34.67328 277.9242 33.97797 278.4063 33.69755 278.8884 33.99985 279.3705 35.20275 279.8526 37.39582 280.3347 40.14383 280.8169 43.43302 281.2990 47.02682 281.7811 50.81399 282.2632 54.73517 282.7453 58.73997 283.2274 62.60434 283.7096 65.89041 284.1917 70.14519 284.6738 75.49554 285.1559 81.54649 285.6380 88.32659 286.1201 95.62814 286.6023 103.0706 287.0844 110.4078 287.5665 117.8246 288.0486 124.5671 288.5307 131.4609 289.0128 137.0067 289.4950 140.5383 289.9771 142.0488 290.4592 141.8106 290.9413 140.0004 291.4234 136.5758 291.9055 132.2072 292.3877 127.0508 292.8698 120.8040 293.3519 112.5495 293.8340 103.0876 294.3161 93.98860 294.7982 86.39259 295.2804 80.17009 295.7625 74.04163 296.2446 67.26626 296.7267 61.40430 297.2088 56.60793 297.6909 52.96003 298.1731 50.86413 298.6552 50.62429 299.1373 51.62550 299.6194 51.51843 300.1015 48.72362 300.5836 46.69212 301.0658 45.99327 301.5479 46.07679 302.0300 46.57281 302.5121 47.30317 302.9942 47.87710 303.4763 47.45577 303.9585 45.40118 304.4406 43.20554 304.9227 41.19445 305.4048 38.88831 305.8869 35.58603 306.3690 31.26762 306.8512 26.84089 307.3333 23.69556 307.8154 22.31773 308.2975 20.57349 308.7796 18.22750 309.2617 15.89336 309.7439 14.05319 310.2260 12.65473 310.7081 11.23335 311.1902 9.292240 311.6723 6.672731 312.1544 4.644103 312.6366 3.054565 313.1187 1.983923 313.6008 1.677559 314.0829 1.998561 314.5650 2.607898 315.0471 3.259612 315.5293 3.972014 316.0114 4.998107 316.4935 6.918035 316.9756 8.511943 317.4577 9.547245 317.9398 10.08556 318.4220 10.14664 318.9041 9.721032 319.3862 9.015438 319.8683 8.693228 320.3504 9.444427 320.8326 9.708739 321.3147 9.036571 321.7968 8.034502 322.2789 7.339072 322.7610 7.148449 323.2431 7.114935 323.7253 6.584246 324.2074 4.839501 324.6895 4.057357 325.1716 4.606452 325.6537 5.688082 326.1358 7.015515 326.6180 8.408494 327.1001 9.547806 327.5822 10.04916 328.0643 9.761078 328.5464 9.597730 329.0285 10.11595 329.5107 10.22032 329.9928 9.342099 330.4749 7.640640 330.9570 5.537467 331.4391 3.257766 331.9212 0.8613210 332.4034 0.7506840 332.8855 0.3995770 333.3676 0.5310410 333.8497 2.176363 334.3318 2.480262 334.8139 0.9812500 335.2961 1.029094 335.7782 1.924743 336.2603 1.558408 336.7424 1.641240 337.2245 3.762510 337.7066 4.231334 338.1888 3.779370 338.6709 2.952741 339.1530 1.934947 339.6351 0.7097900 340.1172 0.9127390 340.5993 2.957093 341.0815 1.560903 341.5636 2.533956 342.0457 2.729640 342.5278 2.326797 343.0099 2.838598 343.4920 2.459168 343.9742 1.041327 344.4563 0.6847490 344.9384 2.679236 345.4205 5.982169 345.9026 8.509710 346.3847 8.946045 346.8669 8.278861 347.3490 8.398151 347.8311 10.59002 348.3132 14.14708 348.7953 16.11610 349.2774 15.19869 349.7596 14.68322 350.2417 15.18145 350.7238 16.32188 351.2059 17.87953 351.6880 19.76578 352.1701 21.67362 352.6523 23.14111 353.1344 24.20661 353.6165 24.68493 354.0986 24.17337 354.5807 23.38452 355.0628 22.76892 355.5450 22.32335 356.0271 21.69031 356.5092 20.58494 356.9913 19.01900 357.4734 16.84791 357.9555 12.94527 358.4377 9.737691 358.9198 8.685760 359.4019 9.021720 359.8840 9.116915 360.3661 7.863485 360.8482 5.833295 361.3304 4.891199 361.8125 5.702878 362.2946 6.139211 362.7767 5.293430 363.2588 3.808936 363.7409 2.112607 364.2231 0.2202660 364.7052 1.223601 365.1873 1.093214 365.6694 0.8274510 366.1515 2.320138 366.6336 2.721303 367.1158 2.620847 367.5979 2.400468 368.0800 2.086304 368.5621 1.638402 369.0442 0.7491910 369.5263 0.3807410 370.0085 0.7191000 370.4906 5.2579999E-02 370.9727 1.209956 371.4548 2.527603 371.9369 3.839944 372.4190 4.717918 372.9012 4.406474 373.3833 3.950533 373.8654 5.312849 374.3475 8.770052 374.8296 11.61471 375.3117 12.05134 375.7939 11.26363 376.2760 10.97241 376.7581 11.33945 377.2402 12.18270 377.7223 13.66939 378.2044 15.60947 378.6866 17.10615 379.1687 17.74029 379.6508 18.14643 380.1329 19.29283 380.6150 21.15712 381.0971 22.59755 381.5793 22.49833 382.0614 22.07492 382.5435 23.29889 383.0256 26.46436 383.5077 29.80353 383.9898 31.92753 384.4720 32.96082 384.9541 34.25749 385.4362 36.03518 385.9183 37.91530 386.4004 39.57121 386.8825 41.11113 387.3647 42.96014 387.8468 45.34996 388.3289 48.10570 388.8110 50.85102 389.2931 53.89231 389.7752 56.34415 390.2574 57.35853 390.7395 57.98185 391.2216 59.51912 391.7037 62.13241 392.1858 64.88490 392.6679 66.90056 393.1501 68.05369 393.6322 68.69479 394.1143 69.31232 394.5964 68.99231 395.0785 66.98121 395.5606 63.63406 396.0428 59.74298 396.5249 55.70594 397.0070 51.68265 397.4891 48.04815 397.9712 44.92337 398.4533 42.27601 398.9355 40.14404 399.4176 38.48393 399.8997 37.40889 400.3818 36.95177 400.8639 36.69968 401.3460 36.03023 401.8282 34.57351 402.3103 33.76328 402.7924 33.33055 403.2745 33.59382 403.7566 34.91748 404.2387 37.12074 404.7209 39.68152 405.2030 42.27905 405.6851 44.87435 406.1672 46.91520 406.6493 48.33043 407.1314 49.30658 407.6136 49.63771 408.0957 49.71455 408.5778 49.95280 409.0599 50.49994 409.5420 51.21496 410.0241 52.07492 410.5063 53.25357 410.9884 53.61440 411.4705 52.05537 411.9526 50.39791 412.4347 49.24324 412.9168 48.80426 413.3990 49.58465 413.8811 52.55650 414.3632 57.08567 414.8453 60.89909 415.3274 64.04197 415.8095 66.33839 416.2917 67.18153 416.7738 67.28030 417.2559 67.56539 417.7380 68.41692 418.2201 69.17609 418.7022 68.89822 419.1844 67.74187 419.6665 67.29160 420.1486 68.26276 420.6307 69.81281 421.1128 70.74620 421.5949 71.06230 422.0771 71.82681 422.5592 73.57991 423.0413 75.90241 423.5234 78.28033 424.0055 80.56087 424.4876 82.66018 424.9698 84.54513 425.4519 86.16212 425.9340 87.39864 426.4161 88.58797 426.8982 89.06696 427.3803 88.42779 427.8625 86.84118 428.3446 84.55693 428.8267 81.54873 429.3088 78.21554 429.7909 75.26279 430.2730 72.88311 430.7552 70.48049 431.2373 68.22306 431.7194 65.82664 432.2015 63.04247 432.6836 59.90773 433.1657 56.45897 433.6479 52.54284 434.1300 48.34505 434.6121 46.34603 435.0942 49.53165 435.5763 51.49611 436.0584 50.44754 436.5406 47.98544 437.0227 45.90042 437.5048 44.83220 437.9869 44.31884 438.4690 43.69389 438.9511 42.96441 439.4333 42.09830 439.9154 41.88708 440.3975 40.80322 440.8796 37.47185 441.3617 32.60405 441.8438 28.11243 442.3260 25.30198 442.8081 23.76621 443.2902 22.38274 443.7723 21.39381 444.2544 19.92075 444.7365 17.17617 445.2187 14.06405 445.7008 11.33521 446.1829 9.131329 446.6650 7.389812 447.1471 6.274758 447.6292 5.663082 448.1114 4.871098 448.5935 3.813523 449.0756 2.533962 449.5577 0.8526870 450.0398 1.053098 450.5219 1.697737 451.0041 0.5646040 451.4862 0.1800480 451.9683 0.5521670 452.4504 0.5755000 452.9325 0.4416810 453.4146 0.3240040 453.8968 1.2654000E-02 454.3789 1.370041 454.8610 0.2605110 455.3431 2.161554 455.8252 1.613020 456.3073 5.0510000E-03 456.7895 1.405220 457.2716 1.659382 457.7537 1.135553 458.2358 1.118125 458.7179 1.607492 459.2000 1.580162 459.6822 0.4129870 460.1643 0.4651870 460.6464 0.5536670 461.1285 0.1492350 461.6106 0.3304050 462.0927 0.7260660 462.5748 1.144953 463.0569 1.811364 463.5391 0.7817680 464.0212 2.5103999E-02 464.5033 0.2749780 464.9854 0.4261850 465.4675 0.5156320 465.9496 0.6802330 466.4318 1.191930 466.9139 2.276509 467.3960 3.769601 467.8781 5.175753 468.3602 6.606865 468.8423 7.946609 469.3245 8.518064 469.8066 9.439746 470.2887 11.88707 470.7708 16.01264 471.2529 20.40612 471.7350 23.50342 472.2172 25.88455 472.6993 29.75621 473.1814 35.35201 473.6635 42.35158 474.1456 51.39885 474.6277 61.68120 475.1099 71.11065 475.5920 78.62738 476.0741 86.12982 476.5562 95.67240 477.0383 106.3461 477.5204 115.6324 478.0026 122.9478 478.4847 128.0113 478.9668 130.3408 479.4489 129.8378 479.9310 126.4806 480.4131 118.7356 480.8953 109.4115 481.3774 99.79416 481.8595 90.22954 482.3416 81.07240 482.8237 72.44767 483.3058 64.48689 483.7880 57.58442 484.2701 52.08510 484.7522 47.28516 485.2343 42.79855 485.7164 39.19081 486.1985 36.97896 486.6807 36.14175 487.1628 36.23035 487.6449 36.87042 488.1270 38.06910 488.6091 39.93823 489.0912 42.94721 489.5734 45.90253 490.0555 48.52078 490.5376 50.86895 491.0197 52.65213 491.5018 53.70239 491.9839 55.53737 492.4661 60.26186 492.9482 67.52542 493.4303 74.08745 493.9124 79.51061 494.3945 84.15875 494.8766 87.96726 495.3588 91.20809 495.8409 94.52142 496.3230 97.92155 496.8051 101.5846 497.2872 105.8838 497.7693 110.6066 498.2515 114.9133 498.7336 118.4052 499.2157 121.5687 499.6978 125.2411 500.1799 129.6383 500.6620 133.7273 501.1442 136.9549 501.6263 140.2640 502.1084 144.0601 502.5905 148.5037 503.0726 153.9639 503.5547 160.7351 504.0369 168.4898 504.5190 176.1448 505.0011 183.8996 505.4832 191.2528 505.9653 200.0617 506.4474 207.1388 506.9296 210.3730 507.4117 209.5558 507.8938 205.4429 508.3759 198.6468 508.8580 189.1952 509.3401 176.8212 509.8223 160.4251 510.3044 143.3644 510.7865 125.1286 511.2686 107.7361 511.7507 93.56419 512.2328 83.11546 512.7150 74.04617 513.1971 64.08142 513.6792 53.89954 514.1613 45.32136 514.6434 38.50874 515.1255 33.15862 515.6077 29.57370 516.0898 27.34772 516.5719 24.57156 517.0540 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