#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:45:40 +0300 (Thu, 26 Apr 2018) $ #$Revision: 567 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000112.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_1000112 loop_ _publ_author_name 'Gatehouse, B. M.' 'Leverett, P.' _publ_section_title ; Lithium triniobate(V), LiNb3O8 Note: isostructural with lithiotantite ; _journal_name_full 'Crystal Structure Communications' _journal_page_first 83 _journal_page_last 86 _journal_volume 1 _journal_year 1972 _chemical_compound_source Synthetic _chemical_formula_sum 'Li Nb3 O8' _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 107.33 _cell_angle_gamma 90 _cell_length_a 7.459 _cell_length_b 5.034 _cell_length_c 15.270 _cell_volume 547.339 _exptl_crystal_density_diffrn 5.020 _cod_database_code 9014478 _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 R100165.rod _rod_data_source.block 3500000 _rod_database.code 1000112 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 9014478 COD http://www.crystallography.net/cod/9014478.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 90.60547 0.0000000E+00 91.08759 37.29736 91.56970 2.419434 92.05182 3.338379 92.53394 66.97852 93.01605 157.2075 93.49817 254.8525 93.98029 363.2637 94.46240 475.6724 94.94452 588.3638 95.42664 704.8140 95.90874 826.8618 96.39086 955.8335 96.87298 1091.792 97.35509 1236.242 97.83721 1387.132 98.31933 1525.236 98.80145 1655.986 99.28356 1775.364 99.76568 1880.722 100.2478 1971.827 100.7299 2048.958 101.2120 2112.220 101.6941 2149.021 102.1763 2184.644 102.6584 2221.337 103.1405 2257.542 103.6226 2302.978 104.1047 2353.349 104.5868 2385.966 105.0690 2394.804 105.5511 2400.519 106.0332 2389.243 106.5153 2355.425 106.9974 2298.771 107.4795 2218.875 107.9617 2111.593 108.4438 1978.977 108.9259 1832.630 109.4080 1664.092 109.8901 1484.102 110.3722 1304.848 110.8544 1124.615 111.3365 951.9099 111.8186 787.7876 112.3007 633.5879 112.7828 494.1042 113.2649 372.7817 113.7471 268.8821 114.2292 180.8181 114.7113 112.9744 115.1934 58.59106 115.6755 14.90454 116.1576 18.17236 116.6397 40.35083 117.1219 50.91431 117.6040 48.25293 118.0861 37.13159 118.5682 20.33667 119.0503 4.618896 119.5324 40.24341 120.0146 86.65649 120.4967 141.5691 120.9788 200.9470 121.4609 266.3455 121.9430 334.9846 122.4251 405.9741 122.9073 480.6133 123.3894 560.7300 123.8715 648.4243 124.3536 741.7236 124.8357 836.2852 125.3178 934.4717 125.8000 1040.624 126.2821 1154.693 126.7642 1273.563 127.2463 1390.905 127.7284 1503.211 128.2105 1610.728 128.6927 1716.231 129.1748 1822.151 129.6569 1925.792 130.1390 2026.017 130.6211 2123.984 131.1032 2222.288 131.5854 2322.250 132.0675 2423.979 132.5496 2527.778 133.0317 2634.502 133.5138 2742.319 133.9959 2848.747 134.4781 2958.339 134.9602 3058.855 135.4423 3149.430 135.9244 3230.199 136.4065 3301.797 136.8886 3365.773 137.3708 3421.579 137.8529 3456.594 138.3350 3467.956 138.8171 3459.891 139.2992 3431.870 139.7813 3384.624 140.2635 3319.004 140.7456 3235.729 141.2277 3133.399 141.7098 3016.469 142.1919 2882.364 142.6740 2739.780 143.1561 2590.374 143.6383 2435.814 144.1204 2280.888 144.6025 2129.959 145.0846 1984.380 145.5667 1845.893 146.0488 1712.893 146.5310 1585.302 147.0131 1463.805 147.4952 1348.271 147.9773 1239.531 148.4594 1141.259 148.9415 1049.110 149.4237 963.2886 149.9058 886.7400 150.3879 817.1116 150.8700 750.3550 151.3521 684.9680 151.8342 622.9729 152.3164 564.4202 152.7985 509.4836 153.2806 457.4119 153.7627 408.6978 154.2448 363.2690 154.7269 318.3303 155.2091 271.4326 155.6912 226.9407 156.1733 187.7676 156.6554 153.7605 157.1375 122.6062 157.6196 91.21216 158.1018 58.44189 158.5839 28.99829 159.0660 2.808838 159.5481 20.41406 160.0302 40.53735 160.5123 57.57861 160.9945 71.73633 161.4766 83.28101 161.9587 92.37598 162.4408 98.18042 162.9229 99.97827 163.4050 99.06201 163.8871 96.82495 164.3693 93.77979 164.8514 89.01709 165.3335 80.05469 165.8156 63.62817 166.2977 47.58618 166.7798 33.02051 167.2620 19.21289 167.7441 5.536377 168.2262 7.966553 168.7083 22.26367 169.1904 40.14111 169.6725 62.19507 170.1547 85.58569 170.6368 109.0229 171.1189 132.8088 171.6010 157.9944 172.0831 185.1931 172.5652 214.1133 173.0474 243.8379 173.5295 273.6216 174.0116 304.4187 174.4937 337.3660 174.9758 373.2285 175.4579 409.3777 175.9401 446.7222 176.4222 483.4775 176.9043 516.5820 177.3864 544.1709 177.8685 568.9175 178.3506 595.5684 178.8328 626.3691 179.3149 650.8516 179.7970 662.5950 180.2791 668.1282 180.7612 672.4951 181.2433 677.6494 181.7255 682.0784 182.2076 682.6165 182.6897 678.6655 183.1718 671.1489 183.6539 657.5581 184.1360 642.1982 184.6181 629.7512 185.1003 622.5713 185.5824 619.1431 186.0645 614.1711 186.5466 605.7346 187.0287 598.0796 187.5108 594.9275 187.9930 592.1682 188.4751 584.6094 188.9572 569.3398 189.4393 547.2664 189.9214 523.2175 190.4035 500.1738 190.8857 471.9995 191.3678 434.9480 191.8499 392.2878 192.3320 349.1511 192.8141 308.4695 193.2962 270.0498 193.7784 231.8735 194.2605 190.9788 194.7426 153.2673 195.2247 120.4836 195.7068 92.39136 196.1889 68.04517 196.6711 47.10498 197.1532 29.65234 197.6353 14.62866 198.1174 1.523438 198.5995 9.143311 199.0816 17.70972 199.5638 23.98706 200.0459 26.50659 200.5280 23.97046 201.0101 16.67432 201.4922 7.260742 201.9743 4.925537 202.4565 18.51343 202.9386 31.69971 203.4207 44.42480 203.9028 59.81665 204.3849 80.29321 204.8670 104.4956 205.3492 130.4670 205.8313 158.1475 206.3134 187.1465 206.7955 216.3774 207.2776 245.3633 207.7597 276.8760 208.2419 312.6523 208.7240 351.5164 209.2061 392.5837 209.6882 435.5735 210.1703 480.6692 210.6524 528.1812 211.1346 577.6084 211.6167 630.2346 212.0988 685.3967 212.5809 743.6633 213.0630 806.7861 213.5451 875.4443 214.0273 947.6609 214.5094 1018.820 214.9915 1087.042 215.4736 1157.899 215.9557 1234.270 216.4378 1312.142 216.9200 1388.075 217.4021 1460.130 217.8842 1529.202 218.3663 1596.745 218.8484 1666.469 219.3305 1729.078 219.8127 1784.627 220.2948 1833.434 220.7769 1876.463 221.2590 1914.222 221.7411 1945.913 222.2232 1968.926 222.7054 1979.331 223.1875 1984.779 223.6696 1985.948 224.1517 1983.036 224.6338 1975.599 225.1159 1963.425 225.5980 1947.612 226.0802 1931.222 226.5623 1914.982 227.0444 1896.592 227.5265 1874.353 228.0086 1850.010 228.4907 1825.971 228.9729 1803.153 229.4550 1781.246 229.9371 1759.706 230.4192 1736.510 230.9013 1716.613 231.3834 1702.056 231.8656 1691.028 232.3477 1681.090 232.8298 1671.400 233.3119 1662.055 233.7940 1653.540 234.2761 1647.028 234.7583 1638.471 235.2404 1627.453 235.7225 1613.641 236.2046 1596.344 236.6867 1575.126 237.1688 1550.464 237.6510 1522.508 238.1331 1491.801 238.6152 1458.255 239.0973 1420.327 239.5794 1379.552 240.0615 1338.514 240.5437 1296.213 241.0258 1257.063 241.5079 1226.039 241.9900 1202.226 242.4721 1185.935 242.9542 1179.175 243.4364 1180.166 243.9185 1183.695 244.4006 1187.140 244.8827 1196.500 245.3648 1217.749 245.8469 1249.691 246.3290 1287.203 246.8112 1328.692 247.2933 1373.742 247.7754 1422.008 248.2575 1473.320 248.7396 1529.637 249.2217 1591.787 249.7039 1659.329 250.1860 1730.572 250.6681 1805.524 251.1502 1883.203 251.6323 1961.804 252.1144 2041.822 252.5966 2120.997 253.0787 2198.626 253.5608 2274.411 254.0429 2348.562 254.5250 2421.324 255.0071 2492.062 255.4893 2560.154 255.9714 2627.053 256.4535 2686.490 256.9356 2739.898 257.4177 2784.899 257.8998 2817.772 258.3820 2836.332 258.8641 2841.239 259.3462 2834.312 259.8283 2815.951 260.3104 2783.170 260.7925 2735.511 261.2747 2676.104 261.7568 2608.564 262.2389 2533.597 262.7210 2453.020 263.2031 2370.572 263.6852 2283.961 264.1674 2199.127 264.6495 2114.491 265.1316 2033.335 265.6137 1959.043 266.0958 1892.993 266.5779 1835.519 267.0601 1787.427 267.5422 1747.629 268.0243 1721.484 268.5064 1708.225 268.9885 1706.852 269.4706 1716.451 269.9528 1736.702 270.4349 1768.253 270.9170 1812.562 271.3991 1870.321 271.8812 1940.811 272.3633 2023.721 272.8455 2116.618 273.3276 2217.416 273.8097 2325.762 274.2918 2441.966 274.7739 2566.272 275.2560 2697.924 275.7382 2841.088 276.2202 2998.166 276.7024 3162.462 277.1845 3331.479 277.6666 3504.606 278.1487 3681.549 278.6308 3864.301 279.1129 4059.284 279.5951 4235.264 280.0772 4407.236 280.5593 4552.466 281.0414 4666.833 281.5235 4745.273 282.0056 4777.573 282.4878 4752.697 282.9699 4666.698 283.4520 4544.781 283.9341 4368.748 284.4162 4180.024 284.8983 3987.029 285.3805 3794.535 285.8626 3607.514 286.3447 3428.680 286.8268 3258.836 287.3089 3106.323 287.7910 2975.564 288.2732 2855.948 288.7553 2748.111 289.2374 2649.783 289.7195 2559.583 290.2016 2477.149 290.6837 2401.072 291.1659 2321.130 291.6480 2239.702 292.1301 2152.179 292.6122 2057.884 293.0943 1956.917 293.5764 1849.009 294.0586 1733.391 294.5407 1611.920 295.0228 1489.028 295.5049 1359.508 295.9870 1234.933 296.4691 1114.184 296.9513 999.2583 297.4334 892.2051 297.9155 794.1479 298.3976 703.7881 298.8797 619.3181 299.3618 541.1711 299.8440 469.7678 300.3261 405.1067 300.8082 347.4736 301.2903 297.6663 301.7724 255.6682 302.2545 218.5134 302.7367 182.6523 303.2188 148.1736 303.7009 115.6997 304.1830 83.52197 304.6651 54.28296 305.1472 30.35571 305.6294 11.29761 306.1115 5.694824 306.5936 23.07422 307.0757 41.04346 307.5578 55.83130 308.0399 65.95239 308.5221 75.05786 309.0042 84.49219 309.4863 94.19824 309.9684 103.5820 310.4505 112.2664 310.9326 120.2834 311.4148 127.5032 311.8969 137.1226 312.3790 142.5342 312.8611 140.9612 313.3432 134.3289 313.8253 125.8860 314.3075 117.1736 314.7896 107.0901 315.2717 92.56665 315.7538 71.51953 316.2359 48.82104 316.7180 26.22339 317.2001 1.500732 317.6823 27.90576 318.1644 62.84717 318.6465 101.8054 319.1286 142.6389 319.6107 184.6174 320.0928 230.5857 320.5750 281.2295 321.0571 335.3628 321.5392 391.8235 322.0213 450.4502 322.5034 513.1133 322.9855 581.3796 323.4677 656.5808 323.9498 732.3728 324.4319 805.8982 324.9140 882.6123 325.3961 965.9409 325.8782 1054.994 326.3604 1147.513 326.8425 1241.942 327.3246 1340.977 327.8067 1439.547 328.2888 1547.696 328.7709 1657.719 329.2531 1768.736 329.7352 1880.410 330.2173 1992.572 330.6994 2105.247 331.1815 2217.811 331.6636 2329.490 332.1458 2436.162 332.6279 2547.167 333.1100 2664.120 333.5921 2784.241 334.0742 2904.594 334.5563 3023.752 335.0385 3145.555 335.5206 3274.397 336.0027 3412.242 336.4848 3554.364 336.9669 3703.642 337.4490 3855.618 337.9312 4008.038 338.4133 4161.057 338.8954 4315.462 339.3775 4473.693 339.8596 4637.952 340.3417 4781.588 340.8239 4909.805 341.3060 5015.342 341.7881 5103.956 342.2702 5167.594 342.7523 5191.913 343.2344 5168.569 343.7166 5098.041 344.1987 4982.167 344.6808 4804.697 345.1629 4593.653 345.6450 4338.699 346.1271 4057.468 346.6093 3764.404 347.0914 3467.602 347.5735 3169.294 348.0556 2878.297 348.5377 2585.003 349.0198 2316.748 349.5020 2071.538 349.9841 1848.352 350.4662 1649.976 350.9483 1476.202 351.4304 1323.513 351.9125 1189.686 352.3947 1075.301 352.8768 977.8120 353.3589 901.3110 353.8410 837.5286 354.3231 785.8501 354.8052 744.9297 355.2874 712.6389 355.7695 687.7971 356.2516 670.5242 356.7337 661.1641 357.2158 662.3599 357.6979 668.8972 358.1800 679.9792 358.6621 695.3696 359.1443 714.8022 359.6264 738.2705 360.1085 765.7048 360.5906 797.7976 361.0727 836.4771 361.5548 874.9844 362.0370 912.2383 362.5191 949.3508 363.0012 987.9998 363.4833 1027.716 363.9654 1064.556 364.4475 1094.890 364.9297 1118.422 365.4118 1139.280 365.8939 1159.115 366.3760 1174.672 366.8581 1184.222 367.3402 1188.567 367.8224 1189.553 368.3045 1188.427 368.7866 1184.596 369.2687 1175.780 369.7508 1160.247 370.2329 1143.194 370.7151 1129.495 371.1972 1114.734 371.6793 1093.334 372.1614 1063.340 372.6435 1029.988 373.1256 1001.099 373.6078 977.8032 374.0899 950.1753 374.5720 916.0520 375.0541 876.0452 375.5362 829.2637 376.0183 775.3438 376.5005 718.5889 376.9826 659.5571 377.4647 599.4463 377.9468 542.5449 378.4289 489.9631 378.9110 438.6982 379.3932 385.2283 379.8753 331.5901 380.3574 282.0698 380.8395 238.4199 381.3216 198.9883 381.8037 161.6936 382.2859 126.4077 382.7680 95.54395 383.2501 70.86011 383.7322 51.26929 384.2143 33.71069 384.6964 17.92407 385.1786 5.346924 385.6607 3.297363 386.1428 7.950684 386.6249 8.096680 387.1070 3.044678 387.5891 5.018311 388.0713 13.74927 388.5534 23.11987 389.0355 34.83618 389.5176 49.31104 389.9997 66.25732 390.4818 85.79175 390.9640 107.8672 391.4461 131.3213 391.9282 155.8640 392.4103 181.0952 392.8924 205.0205 393.3745 226.1165 393.8567 247.6841 394.3388 272.2527 394.8209 298.0200 395.3030 321.0757 395.7851 340.0510 396.2672 356.3701 396.7494 372.7595 397.2315 389.7109 397.7136 405.2332 398.1957 419.0061 398.6778 431.5613 399.1599 442.8130 399.6420 453.0608 400.1241 463.4727 400.6063 474.9819 401.0884 487.6265 401.5705 501.6785 402.0526 517.0225 402.5347 533.7258 403.0168 550.7932 403.4990 569.5085 403.9811 591.6572 404.4632 618.0115 404.9453 648.4255 405.4274 682.5662 405.9095 720.9082 406.3917 762.4102 406.8738 808.8596 407.3559 856.5942 407.8380 903.7261 408.3201 949.6843 408.8022 994.5461 409.2844 1038.883 409.7665 1082.535 410.2486 1125.169 410.7307 1167.629 411.2128 1207.766 411.6949 1246.535 412.1771 1282.201 412.6592 1312.505 413.1413 1336.443 413.6234 1354.027 414.1055 1364.945 414.5876 1368.478 415.0698 1367.502 415.5519 1365.393 416.0340 1357.103 416.5161 1337.729 416.9982 1306.931 417.4803 1270.396 417.9625 1231.136 418.4446 1189.750 418.9267 1148.397 419.4088 1107.327 419.8909 1066.172 420.3730 1025.809 420.8552 985.5188 421.3373 943.7285 421.8194 897.3872 422.3015 852.0356 422.7836 814.2515 423.2657 784.0452 423.7479 757.7627 424.2300 732.9277 424.7121 712.5930 425.1942 700.2544 425.6763 696.2200 426.1584 697.6663 426.6406 706.1541 427.1227 718.7085 427.6048 730.3618 428.0869 740.3538 428.5690 750.3157 429.0511 762.4954 429.5333 776.5632 430.0154 786.0056 430.4975 790.4258 430.9796 790.6960 431.4617 787.2625 431.9438 779.8113 432.4260 767.3633 432.9081 749.3662 433.3902 726.7769 433.8723 701.8501 434.3544 672.8789 434.8365 644.8394 435.3187 617.8486 435.8008 591.3174 436.2829 565.5559 436.7650 540.4746 437.2471 514.8916 437.7292 487.1982 438.2114 456.9468 438.6935 430.8442 439.1756 412.9297 439.6577 395.3618 440.1398 375.5032 440.6219 354.7991 441.1040 335.6689 441.5862 319.4055 442.0683 305.5911 442.5504 293.7122 443.0325 284.2646 443.5146 274.0325 443.9967 261.2788 444.4789 249.3784 444.9610 240.3313 445.4431 234.0610 445.9252 229.1501 446.4073 224.7654 446.8894 220.9180 447.3716 217.5291 447.8537 213.6536 448.3358 212.7090 448.8179 217.4304 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62.81006 476.2986 45.04980 476.7807 32.87964 477.2628 27.69800 477.7449 24.22559 478.2270 18.75610 478.7091 11.74146 479.1913 5.327148 479.6734 0.4294430 480.1555 5.526367 480.6376 10.03101 481.1197 13.86938 481.6018 16.88696 482.0839 19.03101 482.5660 20.37915 483.0482 20.91479 483.5303 20.21289 484.0124 20.25391 484.4945 20.94019 484.9766 22.41211 485.4587 25.20605 485.9409 28.85938 486.4230 32.30981 486.9051 34.96045 487.3872 37.11523 487.8693 39.75659 488.3514 43.96631 488.8336 46.56616 489.3157 46.86914 489.7978 46.12866 490.2799 44.55957 490.7620 42.57788 491.2441 41.32446 491.7263 42.30273 492.2084 44.73315 492.6905 44.58057 493.1726 40.73169 493.6547 36.95093 494.1368 35.50269 494.6190 34.56689 495.1011 31.88525 495.5832 26.78931 496.0653 22.20215 496.5474 21.56738 497.0295 23.28467 497.5117 22.14307 497.9938 16.89307 498.4759 10.89673 498.9580 7.335449 499.4401 5.440430 499.9222 1.198242 500.4044 7.785889 500.8865 16.94482 501.3686 24.47754 501.8507 30.46899 502.3328 34.74097 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716.8746 227.1261 717.3567 211.8668 717.8388 197.3125 718.3209 183.9711 718.8030 170.7931 719.2852 156.9797 719.7673 143.2220 720.2494 130.1840 720.7315 118.1268 721.2136 107.1594 721.6957 97.80249 722.1779 89.43799 722.6600 79.56592 723.1421 67.67834 723.6242 57.80530 724.1063 51.80798 724.5884 47.19690 725.0706 41.59534 725.5527 34.97974 726.0348 28.63330 726.5169 22.41382 726.9990 16.67725 727.4811 11.42566 727.9633 6.751953 728.4454 3.284912 728.9275 0.7626950 729.4096 2.077881 729.8917 6.210693 730.3738 10.79651 730.8560 14.12158 731.3381 16.14050 731.8202 17.78955 732.3023 19.25146 732.7844 20.23425 733.2665 19.92261 733.7487 18.99890 734.2308 20.12170 734.7129 25.06604 735.1950 28.58752 735.6771 28.79797 736.1592 27.95105 736.6414 27.27185 737.1235 27.15405 737.6056 28.49194 738.0877 31.83435 738.5698 34.70654 739.0519 32.93469 739.5341 27.14832 740.0162 23.30847 740.4983 22.02942 740.9804 21.01526 741.4625 18.71497 741.9446 16.38208 742.4268 16.77380 742.9089 20.66370 743.3910 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