#\#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
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