#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:35:02 +0300 (Thu, 24 May 2018) $
#$Revision: 745 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000249.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_1000249
loop_
_publ_author_name
'Hatert, F.'
'Lefevre, P.'
'Fransolet, A. M.'
_publ_section_title
;
 The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4]
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1079
_journal_page_last               1087
_journal_paper_doi               10.3749/canmin.49.4.1079
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Buranga pegmatite, Rwanda'
_chemical_formula_sum            'Al4 Ca0.87 H4 Li3.72 Na0.41 O20 P4'
_chemical_name_mineral           Bertossaite
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2a 2'
_symmetry_space_group_name_H-M   'I m c b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.476
_cell_length_b                   15.744
_cell_length_c                   7.228
_cell_volume                     1305.942
_exptl_crystal_density_diffrn    3.184
_cod_original_formula_sum        'Li3.72 Na.41 Ca.87 Al4 P4 O20 H4'
_cod_database_code               9016383
_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            R060666.rod
_rod_data_source.block           3500000
_rod_database.code               1000249
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 9016383 COD http://www.crystallography.net/cod/9016383.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
125.867 0.000
126.349 98.088
126.831 184.863
127.313 276.911
127.795 380.120
128.277 495.957
128.759 622.607
129.241 761.227
129.723 917.289
130.206 1069.647
130.688 1238.050
131.170 1389.520
131.652 1512.056
132.134 1600.048
132.616 1640.160
133.098 1604.070
133.580 1443.286
134.062 1293.492
134.545 1157.039
135.027 1034.420
135.509 927.093
135.991 835.216
136.473 757.771
136.955 691.243
137.437 628.018
137.919 590.082
138.402 580.154
138.884 593.216
139.366 625.135
139.848 674.311
140.330 739.422
140.812 818.627
141.294 914.925
141.776 1023.191
142.258 1142.685
142.741 1274.407
143.223 1423.893
143.705 1595.988
144.187 1781.618
144.669 1945.899
145.151 2076.621
145.633 2200.365
146.115 2326.696
146.598 2449.127
147.080 2559.711
147.562 2655.334
148.044 2733.324
148.526 2770.633
149.008 2748.260
149.490 2715.629
149.972 2691.762
150.454 2669.656
150.936 2630.230
151.419 2560.128
151.901 2462.827
152.383 2373.447
152.865 2287.135
153.347 2211.100
153.829 2152.398
154.311 2107.592
154.794 2064.882
155.276 2015.167
155.758 1961.199
156.240 1922.556
156.722 1905.220
157.204 1896.152
157.686 1885.908
158.168 1876.076
158.650 1877.084
159.133 1896.598
159.615 1935.262
160.097 1980.105
160.579 2033.079
161.061 2090.078
161.543 2148.838
162.025 2209.172
162.507 2270.838
162.990 2333.609
163.472 2397.811
163.954 2463.188
164.436 2526.538
164.918 2593.344
165.400 2675.308
165.882 2772.286
166.364 2858.657
166.846 2916.034
167.329 2945.459
167.811 2960.603
168.293 2973.651
168.775 2966.262
169.257 2910.980
169.739 2804.563
170.221 2692.349
170.703 2613.186
171.185 2556.013
171.668 2480.014
172.150 2362.787
172.632 2232.625
173.114 2119.979
173.596 2026.514
174.078 1942.432
174.560 1865.394
175.042 1792.792
175.525 1717.802
176.007 1631.119
176.489 1544.698
176.971 1476.651
177.453 1429.869
177.935 1386.652
178.417 1326.006
178.899 1258.068
179.381 1210.753
179.863 1206.521
180.346 1220.486
180.828 1216.209
181.310 1188.538
181.792 1161.471
182.274 1156.182
182.756 1164.437
183.238 1171.259
183.721 1172.660
184.203 1169.648
184.685 1158.608
185.167 1136.240
185.649 1118.252
186.131 1122.210
186.613 1138.307
187.095 1149.336
187.577 1146.653
188.059 1136.969
188.542 1107.346
189.024 1093.409
189.506 1105.669
189.988 1111.611
190.470 1111.575
190.952 1087.563
191.434 1094.582
191.917 1089.207
192.399 1083.350
192.881 1094.816
193.363 1085.968
193.845 1067.251
194.327 1055.876
194.809 1041.047
195.291 1014.289
195.773 984.767
196.255 970.030
196.738 974.749
197.220 975.914
197.702 950.103
198.184 912.924
198.666 885.041
199.148 847.534
199.630 839.203
200.112 826.274
200.595 843.251
201.077 852.994
201.559 855.893
202.041 831.390
202.523 842.318
203.005 839.076
203.487 835.273
203.969 851.247
204.452 830.834
204.934 846.533
205.416 847.844
205.898 855.770
206.380 849.436
206.862 847.532
207.344 847.843
207.826 853.057
208.308 904.091
208.790 943.845
209.273 932.732
209.755 896.971
210.237 868.180
210.719 850.674
211.201 844.719
211.683 858.997
212.165 895.936
212.648 918.453
213.130 893.032
213.612 851.337
214.094 835.839
214.576 861.280
215.058 897.117
215.540 913.380
216.022 909.875
216.504 909.597
216.986 925.896
217.469 947.737
217.951 960.326
218.433 959.838
218.915 956.595
219.397 956.372
219.879 959.479
220.361 969.959
220.844 989.990
221.326 1018.557
221.808 1053.340
222.290 1095.518
222.772 1140.280
223.254 1185.752
223.736 1231.515
224.218 1273.047
224.700 1302.544
225.182 1334.339
225.665 1387.420
226.147 1465.124
226.629 1544.843
227.111 1610.133
227.593 1666.451
228.075 1731.894
228.557 1809.955
229.040 1900.523
229.522 2003.022
230.004 2116.885
230.486 2237.356
230.968 2358.796
231.450 2485.091
231.932 2625.842
232.414 2784.272
232.896 2954.417
233.378 3130.577
233.861 3311.801
234.343 3503.708
234.825 3711.751
235.307 3931.640
235.789 4158.772
236.271 4396.814
236.753 4630.306
237.235 4843.572
237.718 5038.967
238.200 5213.276
238.682 5380.935
239.164 5521.415
239.646 5604.767
240.128 5626.659
240.610 5623.282
241.092 5639.478
241.574 5667.592
242.057 5611.966
242.539 5418.469
243.021 5170.410
243.503 4929.197
243.985 4699.124
244.467 4467.025
244.949 4221.288
245.431 3964.537
245.913 3724.547
246.396 3497.960
246.878 3289.866
247.360 3104.130
247.842 2940.372
248.324 2801.487
248.806 2691.547
249.288 2607.335
249.770 2525.819
250.253 2441.394
250.735 2364.643
251.217 2300.862
251.699 2247.629
252.181 2197.572
252.663 2145.185
253.145 2097.041
253.627 2077.939
254.109 2112.011
254.592 2141.590
255.074 2148.513
255.556 2146.593
256.038 2157.577
256.520 2190.396
257.002 2233.985
257.484 2265.233
257.966 2276.224
258.449 2284.899
258.931 2290.588
259.413 2294.792
259.895 2297.674
260.377 2299.656
260.859 2303.508
261.341 2313.246
261.823 2329.912
262.306 2351.506
262.788 2387.676
263.270 2421.489
263.752 2441.549
264.234 2446.590
264.716 2441.392
265.198 2429.265
265.680 2406.352
266.162 2395.155
266.645 2407.165
267.127 2418.677
267.609 2423.033
268.091 2418.156
268.573 2401.231
269.055 2367.358
269.537 2316.761
270.019 2279.840
270.501 2262.572
270.984 2254.651
271.466 2263.503
271.948 2279.167
272.430 2284.921
272.912 2269.634
273.394 2238.994
273.876 2214.629
274.358 2192.228
274.841 2184.704
275.323 2194.767
275.805 2218.911
276.287 2254.547
276.769 2300.828
277.251 2355.597
277.733 2414.398
278.215 2475.432
278.698 2545.517
279.180 2631.369
279.662 2723.377
280.144 2814.852
280.626 2904.455
281.108 2995.076
281.590 3091.184
282.072 3193.590
282.554 3294.376
283.036 3385.937
283.519 3481.555
284.001 3595.636
284.483 3726.446
284.965 3851.962
285.447 3966.596
285.929 4065.752
286.411 4125.604
286.893 4132.724
287.376 4119.168
287.858 4110.951
288.340 4104.063
288.822 4083.064
289.304 4042.271
289.786 3983.903
290.268 3910.542
290.750 3822.625
291.233 3719.092
291.715 3590.705
292.197 3446.177
292.679 3307.295
293.161 3182.742
293.643 3061.236
294.125 2936.462
294.607 2807.948
295.089 2670.551
295.572 2516.078
296.054 2354.490
296.536 2213.435
297.018 2092.978
297.500 1988.780
297.982 1906.057
298.464 1838.544
298.946 1773.798
299.428 1707.794
299.911 1642.910
300.393 1582.778
300.875 1528.647
301.357 1476.597
301.839 1428.018
302.321 1380.476
302.803 1328.941
303.285 1273.167
303.767 1221.386
304.250 1182.005
304.732 1156.201
305.214 1140.646
305.696 1145.981
306.178 1150.561
306.660 1140.591
307.142 1119.177
307.625 1097.889
308.107 1084.812
308.589 1079.891
309.071 1082.295
309.553 1094.577
310.035 1112.057
310.517 1138.039
310.999 1167.611
311.481 1193.475
311.964 1211.768
312.446 1226.902
312.928 1248.949
313.410 1275.239
313.892 1314.836
314.374 1376.688
314.856 1445.331
315.338 1506.076
315.820 1556.503
316.303 1610.452
316.785 1684.919
317.267 1781.491
317.749 1884.766
318.231 1989.131
318.713 2105.598
319.195 2240.417
319.677 2392.435
320.159 2558.515
320.642 2730.033
321.124 2913.213
321.606 3127.303
322.088 3378.465
322.570 3651.666
323.052 3942.283
323.534 4248.581
324.016 4571.366
324.499 4914.172
324.981 5272.460
325.463 5643.287
325.945 6026.142
326.427 6409.589
326.909 6783.296
327.391 7158.256
327.873 7565.750
328.355 8058.713
328.838 8473.453
329.320 8713.021
329.802 8825.361
330.284 8911.746
330.766 9004.147
331.248 9062.326
331.730 9027.479
332.212 8886.403
332.694 8691.209
333.177 8429.936
333.659 8126.198
334.141 7783.835
334.623 7410.837
335.105 7034.204
335.587 6672.326
336.069 6327.147
336.552 5987.695
337.034 5651.292
337.516 5323.391
337.998 4996.715
338.480 4679.012
338.962 4380.298
339.444 4105.767
339.926 3853.462
340.408 3619.950
340.891 3399.891
341.373 3207.539
341.855 3078.622
342.337 2952.886
342.819 2767.574
343.301 2513.533
343.783 2253.917
344.265 2063.034
344.747 1947.181
345.230 1843.556
345.712 1757.472
346.194 1674.350
346.676 1588.595
347.158 1499.684
347.640 1408.357
348.122 1308.725
348.604 1207.871
349.086 1124.138
349.569 1059.410
350.051 1004.162
350.533 956.445
351.015 914.278
351.497 875.380
351.979 839.089
352.461 806.826
352.944 780.407
353.426 759.293
353.908 741.486
354.390 727.732
354.872 715.004
355.354 696.121
355.836 668.280
356.318 648.356
356.800 641.712
357.283 644.231
357.765 652.251
358.247 665.063
358.729 683.193
359.211 709.939
359.693 747.232
360.175 763.699
360.657 738.582
361.139 717.600
361.622 722.448
362.104 744.463
362.586 764.969
363.068 773.930
363.550 775.359
364.032 781.251
364.514 794.493
364.996 807.854
365.478 827.379
365.961 842.552
366.443 842.328
366.925 825.915
367.407 804.940
367.889 792.636
368.371 789.595
368.853 784.660
369.335 781.142
369.818 770.620
370.300 748.179
370.782 716.076
371.264 679.516
371.746 636.019
372.228 593.105
372.710 566.386
373.192 558.383
373.674 546.579
374.157 520.680
374.639 484.519
375.121 444.297
375.603 396.906
376.085 354.090
376.567 326.011
377.049 306.192
377.531 281.181
378.013 247.521
378.496 209.124
378.978 168.519
379.460 123.773
379.942 90.546
380.424 79.687
380.906 71.431
381.388 51.094
381.871 21.603
382.353 4.304
382.835 17.562
383.317 21.311
383.799 31.958
384.281 62.521
384.763 83.727
385.245 84.198
385.727 78.733
386.210 84.577
386.692 105.316
387.174 126.650
387.656 127.768
388.138 104.687
388.620 87.080
389.102 73.287
389.584 68.767
390.066 85.343
390.549 113.879
391.031 129.579
391.513 113.729
391.995 80.733
392.477 56.053
392.959 39.914
393.441 32.062
393.923 40.346
394.405 52.772
394.888 49.048
395.370 23.545
395.852 3.988
396.334 23.720
396.816 38.376
397.298 51.784
397.780 64.433
398.263 80.240
398.745 105.210
399.227 141.909
399.709 169.454
400.191 175.160
400.673 184.045
401.155 216.414
401.637 262.716
402.119 298.473
402.602 309.213
403.084 303.053
403.566 305.064
404.048 319.034
404.530 335.802
405.012 355.462
405.494 376.871
405.976 402.743
406.458 431.747
406.941 454.362
407.423 456.222
407.905 438.741
408.387 435.824
408.869 458.607
409.351 477.707
409.833 470.783
410.315 451.527
410.797 444.503
411.280 463.054
411.762 487.604
412.244 492.168
412.726 481.126
413.208 489.700
413.690 537.058
414.172 596.992
414.654 622.742
415.137 608.205
415.619 608.259
416.101 642.670
416.583 689.754
417.065 732.691
417.547 769.437
418.029 800.852
418.511 825.782
418.993 846.341
419.476 882.044
419.958 944.874
420.440 1009.503
420.922 1082.092
421.404 1150.307
421.886 1193.763
422.368 1209.455
422.850 1225.230
423.332 1281.151
423.815 1382.576
424.297 1478.479
424.779 1566.675
425.261 1649.301
425.743 1722.908
426.225 1792.295
426.707 1868.107
427.190 1956.314
427.672 2051.775
428.154 2144.011
428.636 2233.644
429.118 2334.423
429.600 2456.666
430.082 2587.069
430.564 2701.959
431.046 2796.770
431.529 2899.932
432.011 3029.036
432.493 3164.584
432.975 3282.792
433.457 3382.615
433.939 3482.861
434.421 3600.046
434.903 3731.535
435.385 3843.610
435.868 3927.846
436.350 4001.547
436.832 4071.430
437.314 4130.027
437.796 4165.842
438.278 4176.428
438.760 4177.341
439.242 4194.573
439.724 4232.941
440.207 4238.634
440.689 4201.379
441.171 4138.687
441.653 4052.806
442.135 3950.921
442.617 3849.709
443.099 3754.660
443.581 3663.379
444.064 3575.146
444.546 3489.115
445.028 3396.522
445.510 3292.254
445.992 3184.290
446.474 3086.207
446.956 2997.363
447.438 2915.882
447.921 2841.402
448.403 2773.517
448.885 2713.246
449.367 2660.188
449.849 2614.206
450.331 2575.673
450.813 2542.870
451.295 2505.809
451.777 2456.321
452.259 2414.283
452.742 2378.361
453.224 2352.707
453.706 2341.601
454.188 2345.262
454.670 2358.417
455.152 2384.491
455.634 2420.018
456.116 2427.903
456.599 2393.145
457.081 2361.413
457.563 2362.510
458.045 2382.088
458.527 2400.079
459.009 2413.543
459.491 2423.399
459.973 2431.045
460.456 2435.436
460.938 2437.876
461.420 2440.062
461.902 2427.054
462.384 2378.361
462.866 2286.681
463.348 2205.498
463.830 2142.051
464.312 2081.260
464.795 2024.906
465.277 1965.208
465.759 1887.170
466.241 1783.279
466.723 1667.155
467.205 1565.560
467.687 1484.214
468.169 1397.179
468.651 1289.529
469.134 1187.371
469.616 1107.711
470.098 1046.038
470.580 982.790
471.062 903.905
471.544 821.096
472.026 749.907
472.508 690.264
472.991 641.643
473.473 607.893
473.955 580.736
474.437 544.664
474.919 497.801
475.401 451.739
475.883 409.045
476.365 367.485
476.848 319.589
477.330 269.199
477.812 232.648
478.294 222.661
478.776 232.888
479.258 234.661
479.740 226.202
480.222 211.526
480.704 185.807
481.186 158.775
481.669 136.847
482.151 121.215
482.633 111.029
483.115 104.521
483.597 102.919
484.079 113.124
484.561 138.334
485.043 160.293
485.526 169.061
486.008 168.018
486.490 164.805
486.972 155.667
487.454 152.993
487.936 169.988
488.418 192.110
488.900 196.347
489.383 181.441
489.865 169.538
490.347 180.911
490.829 214.181
491.311 241.167
491.793 265.400
492.275 277.966
492.757 269.007
493.239 252.611
493.722 241.751
494.204 239.704
494.686 243.893
495.168 253.478
495.650 267.719
496.132 282.154
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