#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:23:22 +0300 (Thu, 24 May 2018) $ #$Revision: 701 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000211.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_1000211 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 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 R060201.rod _rod_data_source.block 3500000 _rod_database.code 1000211 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 137.3971 0.0000000E+00 137.8792 3.603850 138.3613 0.4937460 138.8434 4.425716 139.3255 13.32606 139.8077 25.19026 140.2898 39.96646 140.7719 56.60080 141.2540 72.21999 141.7361 86.52811 142.2182 99.18050 142.7004 109.6453 143.1825 117.1863 143.6646 123.2463 144.1467 127.9338 144.6288 131.2994 145.1109 132.8732 145.5931 132.4252 146.0752 130.4809 146.5573 127.5191 147.0394 122.4437 147.5215 117.5463 148.0036 113.5072 148.4858 110.5746 148.9679 107.0339 149.4500 103.1643 149.9321 98.58072 150.4142 92.82345 150.8963 83.63840 151.3785 75.58430 151.8606 70.07668 152.3427 67.78836 152.8248 65.94814 153.3069 64.18031 153.7890 63.39465 154.2712 63.14436 154.7533 61.26328 155.2354 62.45302 155.7175 65.37856 156.1996 68.97890 156.6817 72.37807 157.1639 74.38014 157.6460 75.83215 158.1281 77.28102 158.6102 78.26001 159.0923 79.20147 159.5744 80.60338 160.0566 84.43559 160.5387 85.75336 161.0208 82.18661 161.5029 74.94524 161.9850 67.48957 162.4671 61.61615 162.9493 55.60938 163.4314 48.29533 163.9135 39.21186 164.3956 31.53452 164.8777 25.46541 165.3598 19.55993 165.8420 14.45115 166.3241 9.520908 166.8062 5.116414 167.2883 2.284749 167.7704 2.289694 168.2525 2.704850 168.7346 1.893121 169.2168 0.3522260 169.6989 0.8746500 170.1810 1.647895 170.6631 2.629611 171.1452 1.797019 171.6273 0.5669750 172.1095 0.9747520 172.5916 3.646128 173.0737 2.297792 173.5558 0.7924470 174.0379 2.154735 174.5201 1.984979 175.0022 1.251272 175.4843 8.7069999E-03 175.9664 2.457236 176.4485 1.943549 176.9306 0.2274350 177.4128 3.240672 177.8949 3.485971 178.3770 2.653820 178.8591 2.910781 179.3412 5.781646 179.8233 10.00784 180.3055 13.82874 180.7876 17.29667 181.2697 20.13900 181.7518 21.67745 182.2339 22.29184 182.7160 23.27436 183.1982 25.87692 183.6803 29.13155 184.1624 30.63801 184.6445 30.20986 185.1266 29.18214 185.6087 29.66174 186.0909 31.19307 186.5730 31.25900 187.0551 28.11681 187.5372 22.60078 188.0193 17.21914 188.5014 11.94421 188.9836 7.080926 189.4657 3.161948 189.9478 0.1195430 190.4299 3.152436 190.9120 0.2623270 191.3941 0.3331830 191.8763 3.306557 192.3584 3.114236 192.8405 2.200879 193.3226 0.9515540 193.8047 0.6391710 194.2868 1.837394 194.7690 2.189494 195.2511 1.530550 195.7332 0.7361310 196.2153 3.3202000E-02 196.6974 0.8300740 197.1795 1.847033 197.6617 3.098718 198.1438 4.431299 198.6259 3.937848 199.1080 2.353806 199.5901 1.226490 200.0722 0.7329580 200.5544 0.4496970 201.0365 0.3131370 201.5186 1.549198 202.0007 1.841112 202.4828 0.7241550 202.9649 4.187726 203.4471 2.912911 203.9292 1.267221 204.4113 0.3612210 204.8934 0.2278340 205.3755 0.4565430 205.8576 0.5201930 206.3398 0.4412850 206.8219 0.1704920 207.3040 9.5264003E-02 207.7861 0.2612860 208.2682 0.5947230 208.7503 0.9801090 209.2325 1.465692 209.7146 1.855879 210.1967 2.354317 210.6788 3.342265 211.1609 2.421343 211.6430 1.127034 212.1252 3.518204 212.6073 0.1411950 213.0894 1.454497 213.5715 4.2994998E-02 214.0536 0.8127220 214.5357 1.183847 215.0179 0.5795630 215.5000 1.299325 215.9821 0.2733530 216.4642 2.593057 216.9463 4.306753 217.4284 3.696362 217.9105 1.287678 218.3927 1.787303 218.8748 4.864487 219.3569 7.619413 219.8390 10.54796 220.3211 14.96970 220.8032 21.62653 221.2854 28.42207 221.7675 34.52331 222.2496 39.42888 222.7317 45.00491 223.2138 51.56182 223.6959 58.61805 224.1781 65.22868 224.6602 70.90067 225.1423 76.92283 225.6244 83.86774 226.1065 92.54271 226.5886 100.0254 227.0708 106.1704 227.5529 111.2008 228.0350 115.6405 228.5171 119.1888 228.9992 122.7877 229.4813 126.9789 229.9635 132.2936 230.4456 135.9753 230.9277 137.3348 231.4098 137.6507 231.8919 139.3331 232.3740 143.3242 232.8562 147.4394 233.3383 150.9097 233.8204 153.4416 234.3025 156.2093 234.7846 159.4212 235.2667 162.6528 235.7489 165.5688 236.2310 168.2843 236.7131 170.4988 237.1952 172.2490 237.6773 173.6828 238.1594 173.8498 238.6416 171.8990 239.1237 169.1971 239.6058 168.0527 240.0879 169.4883 240.5700 170.8186 241.0521 171.1606 241.5343 170.2513 242.0164 169.4391 242.4985 168.5343 242.9806 167.8462 243.4627 167.9485 243.9448 169.5676 244.4270 170.6980 244.9091 170.5032 245.3912 168.5075 245.8733 167.7390 246.3554 168.5623 246.8375 170.2982 247.3197 172.0282 247.8018 173.4631 248.2839 175.1334 248.7660 177.1937 249.2481 179.4572 249.7302 182.6831 250.2124 187.3062 250.6945 192.9414 251.1766 199.2972 251.6587 206.5768 252.1408 214.0721 252.6229 221.7755 253.1051 229.8581 253.5872 237.8216 254.0693 245.9689 254.5514 253.7981 255.0335 260.7041 255.5156 265.9628 255.9978 271.8786 256.4799 279.2484 256.9620 288.0851 257.4441 295.3416 257.9262 301.2351 258.4083 305.1977 258.8904 306.7057 259.3726 305.7631 259.8547 302.3583 260.3368 296.4124 260.8189 287.8431 261.3010 277.8754 261.7831 266.1400 262.2653 253.3559 262.7474 239.8120 263.2295 224.2929 263.7116 211.1373 264.1937 201.1691 264.6758 194.0416 265.1580 187.3707 265.6401 181.2671 266.1222 176.1990 266.6043 173.0018 267.0864 171.4324 267.5685 171.9446 268.0507 175.3417 268.5328 180.8390 269.0149 185.5485 269.4970 189.1783 269.9791 192.0923 270.4612 195.1553 270.9434 198.5955 271.4255 200.7890 271.9076 201.5121 272.3897 201.0674 272.8718 200.1636 273.3539 198.7647 273.8361 197.2332 274.3182 195.4303 274.8003 193.1844 275.2824 191.4040 275.7645 190.1484 276.2466 189.3979 276.7288 189.1523 277.2109 189.2490 277.6930 189.7022 278.1751 190.1620 278.6572 190.7630 279.1393 193.2971 279.6215 197.6660 280.1036 203.7228 280.5857 211.7510 281.0678 222.0647 281.5499 233.3934 282.0320 244.4371 282.5142 255.2855 282.9963 269.0031 283.4784 286.2524 283.9605 304.5949 284.4426 321.1981 284.9247 336.0488 285.4069 349.9969 285.8890 363.6268 286.3711 376.5478 286.8532 387.4926 287.3353 396.4297 287.8174 403.5953 288.2996 409.5756 288.7817 414.2674 289.2638 415.8573 289.7459 413.3332 290.2280 407.6488 290.7101 401.4723 291.1923 394.8321 291.6744 386.7397 292.1565 375.9430 292.6386 362.7555 293.1207 348.6068 293.6028 333.2226 294.0850 317.6741 294.5671 303.1534 295.0492 289.6631 295.5313 277.3081 296.0134 266.2160 296.4955 256.3789 296.9777 248.0036 297.4598 241.3514 297.9419 235.8190 298.4240 231.0553 298.9061 226.9398 299.3882 222.7222 299.8704 218.3287 300.3525 213.4922 300.8346 207.4320 301.3167 199.9478 301.7988 191.9550 302.2809 184.5888 302.7631 177.5550 303.2452 169.7319 303.7273 160.3753 304.2094 150.0175 304.6915 139.5593 305.1736 128.9787 305.6558 117.9994 306.1379 105.6611 306.6200 92.76021 307.1021 80.84598 307.5842 71.06860 308.0663 62.15976 308.5485 52.38765 309.0306 41.84360 309.5127 32.36525 309.9948 25.55369 310.4769 20.45292 310.9590 15.86652 311.4412 11.20588 311.9233 7.063757 312.4054 3.649293 312.8875 1.000238 313.3696 0.5322670 313.8517 0.2880300 314.3339 0.9221780 314.8160 2.396252 315.2981 3.757516 315.7802 5.681009 316.2623 8.972226 316.7444 13.14179 317.2266 16.94146 317.7087 20.17652 318.1908 22.61252 318.6729 24.12940 319.1550 24.65870 319.6371 24.39857 320.1193 23.87336 320.6014 22.53945 321.0835 19.48642 321.5656 13.29732 322.0477 6.313284 322.5298 0.8012040 323.0120 7.637105 323.4941 1.037871 323.9762 5.136653 324.4583 4.921568 324.9404 0.9718660 325.4225 0.7844930 325.9047 2.018488 326.3868 3.079945 326.8689 3.997512 327.3510 4.501577 327.8331 4.034213 328.3152 3.458624 328.7974 3.370448 329.2795 4.187370 329.7616 5.003739 330.2437 5.723809 330.7258 6.377470 331.2079 7.152131 331.6901 8.301001 332.1722 8.836771 332.6543 8.303782 333.1364 7.792066 333.6185 8.136087 334.1006 9.344434 334.5828 7.750916 335.0649 4.994157 335.5470 0.7655210 336.0291 3.432645 336.5112 6.858999 336.9933 7.483549 337.4755 4.352647 337.9576 0.3335010 338.4397 4.330689 338.9218 9.363955 339.4039 6.816264 339.8860 1.107109 340.3681 5.495338 340.8503 12.96161 341.3324 19.75174 341.8145 25.60844 342.2966 31.76177 342.7787 39.38720 343.2608 48.41162 343.7430 59.01666 344.2251 71.29919 344.7072 85.06369 345.1893 99.45998 345.6714 114.6386 346.1535 130.2155 346.6357 145.7405 347.1178 161.3683 347.5999 178.4023 348.0820 197.7617 348.5641 217.0698 349.0462 232.7946 349.5284 245.1697 350.0105 256.5551 350.4926 269.6462 350.9747 282.4390 351.4568 290.4468 351.9389 293.3781 352.4211 292.5232 352.9032 288.6204 353.3853 281.8850 353.8674 272.8070 354.3495 260.6613 354.8316 246.8590 355.3138 232.7389 355.7959 218.3298 356.2780 203.9564 356.7601 189.0370 357.2422 174.4165 357.7243 160.9356 358.2065 148.5102 358.6886 138.0034 359.1707 130.4181 359.6528 125.3369 360.1349 121.5077 360.6170 118.8002 361.0992 116.7982 361.5813 115.1650 362.0634 113.7693 362.5455 113.0505 363.0276 113.5229 363.5097 114.7093 363.9919 115.9023 364.4740 116.1094 364.9561 116.9836 365.4382 119.3774 365.9203 123.4582 366.4024 127.5373 366.8846 131.2624 367.3667 134.8925 367.8488 138.6391 368.3309 142.4737 368.8130 146.4930 369.2951 150.5689 369.7773 154.8101 370.2594 159.7315 370.7415 165.5892 371.2236 171.8278 371.7057 178.4200 372.1878 185.6303 372.6700 192.8054 373.1521 199.5360 373.6342 206.3253 374.1163 214.2215 374.5984 223.7238 375.0805 233.2425 375.5627 242.5051 376.0448 251.6071 376.5269 259.3962 377.0090 265.3792 377.4911 271.0087 377.9732 278.5332 378.4554 288.5087 378.9375 296.3783 379.4196 300.8753 379.9017 302.7438 380.3838 304.2644 380.8659 304.8650 381.3481 306.4469 381.8302 309.7064 382.3123 314.6820 382.7944 321.1082 383.2765 329.0229 383.7586 337.8950 384.2408 346.7384 384.7229 355.7071 385.2050 366.3236 385.6871 379.1900 386.1692 394.1361 386.6513 411.4550 387.1335 430.9639 387.6156 452.4368 388.0977 476.0474 388.5798 501.1142 389.0619 526.8199 389.5440 553.0947 390.0262 579.3359 390.5083 606.9848 390.9904 635.2537 391.4725 659.3012 391.9546 678.0137 392.4367 690.4246 392.9189 696.1884 393.4010 696.0053 393.8831 686.7372 394.3652 663.9859 394.8473 631.8381 395.3294 596.8079 395.8116 556.6023 396.2937 518.0588 396.7758 483.2630 397.2579 452.4210 397.7400 427.1923 398.2221 408.5165 398.7043 394.9735 399.1864 385.6455 399.6685 381.4148 400.1506 380.0983 400.6327 381.7348 401.1148 386.1578 401.5970 392.7850 402.0791 402.8496 402.5612 413.9194 403.0433 424.9938 403.5254 436.4986 404.0075 446.8312 404.4897 456.0467 404.9718 463.9278 405.4539 470.1519 405.9360 474.7615 406.4181 477.8612 406.9002 479.3467 407.3824 479.3249 407.8645 478.5360 408.3466 476.8920 408.8287 474.7066 409.3108 472.0630 409.7929 469.0288 410.2751 466.7834 410.7572 465.3337 411.2393 464.9331 411.7214 466.1673 412.2035 468.9665 412.6856 472.8676 413.1678 477.2491 413.6499 482.6091 414.1320 490.1488 414.6141 499.8796 415.0962 510.7934 415.5783 523.0779 416.0605 536.0093 416.5426 547.9955 417.0247 557.9305 417.5068 568.0677 417.9889 580.3038 418.4710 594.6522 418.9532 608.9769 419.4353 621.9547 419.9174 634.3859 420.3995 646.8260 420.8816 659.8378 421.3637 671.9475 421.8459 683.3298 422.3280 693.2432 422.8101 700.7032 423.2922 705.0583 423.7743 707.1725 424.2564 707.2994 424.7386 705.4829 425.2207 701.3607 425.7028 694.4207 426.1849 685.4916 426.6670 675.2000 427.1491 664.7437 427.6313 651.0361 428.1134 632.9011 428.5955 611.7183 429.0776 591.2141 429.5597 571.3292 430.0418 551.7349 430.5240 531.8741 431.0061 511.6893 431.4882 493.0820 431.9703 476.3707 432.4524 460.7800 432.9345 445.3643 433.4167 430.1543 433.8988 415.7696 434.3809 402.5179 434.8630 390.3712 435.3451 380.0030 435.8272 371.3422 436.3094 362.3344 436.7915 351.9863 437.2736 340.1905 437.7557 326.6093 438.2378 310.9621 438.7199 294.6872 439.2020 279.0046 439.6841 263.7783 440.1663 248.7276 440.6484 234.1468 441.1305 219.3290 441.6126 203.2358 442.0947 186.1548 442.5768 170.2918 443.0590 157.6705 443.5411 146.2118 444.0232 134.2633 444.5053 121.1609 444.9874 108.2672 445.4695 95.54810 445.9517 83.53685 446.4338 72.95700 446.9159 64.70660 447.3980 57.12206 447.8801 49.87796 448.3622 42.91545 448.8444 36.45124 449.3265 30.79936 449.8086 25.35365 450.2907 19.61094 450.7728 12.81369 451.2549 7.357306 451.7371 3.716998 452.2192 1.322838 452.7013 1.077169 453.1834 3.607596 453.6655 5.586539 454.1476 6.596357 454.6298 6.716069 455.1119 6.663255 455.5940 6.303632 456.0761 6.482345 456.5582 8.564011 457.0403 6.739124 457.5225 4.037804 458.0046 3.263570 458.4867 3.021484 458.9688 1.053141 459.4509 2.266425 459.9330 5.273637 460.4152 6.650547 460.8973 7.456713 461.3794 7.104215 461.8615 4.549656 462.3436 2.133513 462.8257 0.5838800 463.3079 0.5067840 463.7900 1.589717 464.2721 2.673322 464.7542 3.948256 465.2363 5.825441 465.7184 7.995576 466.2006 7.023949 466.6827 6.752181 467.1648 6.607366 467.6469 6.063953 468.1290 4.950178 468.6111 3.984156 469.0933 2.677710 469.5754 1.852852 470.0575 2.254298 470.5396 4.296671 471.0217 6.726351 471.5038 6.700906 471.9860 3.700489 472.4681 0.1930980 472.9502 3.854294 473.4323 7.244039 473.9144 2.623999 474.3965 2.141295 474.8787 7.494128 475.3608 0.9258640 475.8429 9.955299 476.3250 17.76599 476.8071 24.68900 477.2892 32.65790 477.7714 42.80997 478.2535 53.13781 478.7356 60.79301 479.2177 66.05514 479.6998 69.98508 480.1819 73.39811 480.6641 75.75946 481.1462 76.03493 481.6283 74.03581 482.1104 72.09895 482.5925 71.14227 483.0746 71.13441 483.5568 72.04389 484.0389 73.14074 484.5210 75.93898 485.0031 81.02258 485.4852 88.13755 485.9673 96.64892 486.4495 107.0029 486.9316 118.1396 487.4137 129.2959 487.8958 139.9275 488.3779 153.5406 488.8600 170.8384 489.3422 190.4736 489.8243 211.6142 490.3064 234.1008 490.7885 257.9871 491.2706 283.6408 491.7527 310.3541 492.2349 337.1539 492.7170 363.7960 493.1991 390.7653 493.6812 418.3779 494.1633 446.2473 494.6454 474.5206 495.1276 503.1587 495.6097 528.6442 496.0918 547.7914 496.5739 561.2502 497.0560 569.7381 497.5381 573.7493 498.0203 572.6875 498.5024 564.9124 498.9845 551.7248 499.4666 535.7738 499.9487 517.2254 500.4308 497.2724 500.9130 476.0339 501.3951 453.6493 501.8772 431.8700 502.3593 410.7336 502.8414 390.9864 503.3235 372.8558 503.8057 355.6374 504.2878 341.4377 504.7699 330.9791 505.2520 323.2639 505.7341 316.9435 506.2162 313.3044 506.6984 308.5691 507.1805 302.0748 507.6626 293.7503 508.1447 282.9614 508.6268 269.6667 509.1089 254.0467 509.5911 235.5668 510.0732 214.4716 510.5553 193.0889 511.0374 171.2661 511.5195 150.1788 512.0016 130.8772 512.4838 113.4983 512.9659 98.78453 513.4480 87.36294 513.9301 77.96284 514.4122 68.88281 514.8943 60.41171 515.3765 53.63852 515.8586 50.31664 516.3407 48.11381 516.8228 45.11982 517.3049 40.70628 517.7870 36.88845 518.2692 34.97072 518.7513 33.89512 519.2334 32.64486 519.7155 31.29297 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