#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:42:37 +0300 (Thu, 26 Apr 2018) $
#$Revision: 519 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000071.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_1000071
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 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            R060666.rod
_rod_data_source.block           3500000
_rod_database.code               1000071
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
95.41687 0.0000000E+00
95.89898 2.677002
96.38110 8.252197
96.86321 14.74658
97.34533 20.92676
97.82745 17.46411
98.30956 12.08984
98.79168 5.059326
99.27380 2.470459
99.75591 5.753418
100.2380 10.41016
100.7201 13.13403
101.2023 12.70532
101.6844 10.28198
102.1665 7.689697
102.6486 3.773926
103.1307 0.6855470
103.6128 0.1704100
104.0950 0.3396000
104.5771 1.197754
105.0592 4.256348
105.5413 7.579102
106.0234 10.80786
106.5055 15.05859
106.9877 21.23291
107.4698 26.03613
107.9519 27.93506
108.4340 29.84912
108.9161 32.26074
109.3982 33.36450
109.8804 32.33301
110.3625 27.38892
110.8446 17.38477
111.3267 11.61353
111.8088 13.21851
112.2909 15.63037
112.7731 15.70239
113.2552 13.02759
113.7373 9.312988
114.2194 7.013184
114.7015 7.276611
115.1836 7.582520
115.6658 8.596924
116.1479 9.309082
116.6300 8.343750
117.1121 5.120117
117.5942 0.8212890
118.0763 1.698486
118.5584 2.365723
119.0406 2.096191
119.5227 0.3134770
120.0048 2.330811
120.4869 3.850342
120.9690 2.634277
121.4511 0.3229980
121.9333 0.1445310
122.4154 2.584961
122.8975 6.264893
123.3796 10.35059
123.8617 15.01416
124.3438 19.33838
124.8260 23.61108
125.3081 27.08032
125.7902 28.45386
126.2723 26.59961
126.7544 23.15210
127.2365 21.65869
127.7187 22.90308
128.2008 24.80371
128.6829 26.66724
129.1650 28.65063
129.6471 31.05518
130.1292 34.13599
130.6114 37.81055
131.0935 41.36401
131.5756 44.70776
132.0577 48.06592
132.5398 52.22729
133.0219 56.57153
133.5041 59.49854
133.9862 59.26709
134.4683 54.90210
134.9504 54.19019
135.4325 59.28491
135.9146 65.68701
136.3968 70.62769
136.8789 73.83691
137.3610 76.92212
137.8431 81.88135
138.3252 89.18262
138.8073 96.38892
139.2895 103.0967
139.7716 110.0657
140.2537 118.1440
140.7358 127.5122
141.2179 136.9604
141.7000 145.3831
142.1821 152.8555
142.6643 158.0698
143.1464 160.5505
143.6285 160.1370
144.1106 157.8975
144.5927 153.6333
145.0748 148.1985
145.5570 143.0210
146.0391 138.1462
146.5212 132.7686
147.0033 126.2085
147.4854 118.4409
147.9675 109.9075
148.4497 99.04565
148.9318 88.45386
149.4139 79.63062
149.8960 72.53784
150.3781 66.35229
150.8602 60.35889
151.3424 54.13062
151.8245 49.10303
152.3066 46.28174
152.7887 43.97925
153.2708 42.34570
153.7529 39.04443
154.2351 34.92310
154.7172 32.12549
155.1993 30.48218
155.6814 30.64966
156.1635 34.56250
156.6456 39.73364
157.1278 43.16309
157.6099 43.36816
158.0920 41.02344
158.5741 38.76343
159.0562 35.38940
159.5383 33.32520
160.0205 33.53149
160.5026 35.50854
160.9847 38.27979
161.4668 41.53735
161.9489 45.06763
162.4310 47.89209
162.9131 50.31348
163.3953 51.85107
163.8774 51.45972
164.3595 49.38403
164.8416 48.12695
165.3237 49.75806
165.8058 53.26099
166.2880 56.08643
166.7701 57.46851
167.2522 58.48999
167.7343 60.54932
168.2164 63.90479
168.6985 66.94775
169.1807 68.93286
169.6628 70.09424
170.1449 70.46777
170.6270 69.89990
171.1091 68.58643
171.5912 67.00513
172.0734 65.20361
172.5555 63.06201
173.0376 60.96533
173.5197 58.49707
174.0018 54.92993
174.4839 49.65552
174.9661 42.93213
175.4482 36.45679
175.9303 29.89014
176.4124 24.10083
176.8945 19.16187
177.3766 15.28076
177.8588 12.84155
178.3409 12.25854
178.8230 13.49023
179.3051 13.19019
179.7872 9.805664
180.2693 6.660400
180.7515 4.696777
181.2336 3.743896
181.7157 3.219727
182.1978 2.665039
182.6799 2.063232
183.1620 1.249023
183.6441 6.7626998E-02
184.1263 1.345703
184.6084 2.352295
185.0905 3.062012
185.5726 3.548584
186.0547 3.877197
186.5368 4.026855
187.0190 3.939209
187.5011 3.464600
187.9832 2.843262
188.4653 2.093750
188.9474 1.238281
189.4296 0.6623540
189.9117 0.9833980
190.3938 2.138428
190.8759 2.610840
191.3580 1.577393
191.8401 9.9120997E-02
192.3223 0.4812010
192.8044 0.1267090
193.2865 0.8630370
193.7686 0.5283200
194.2507 0.5468750
194.7328 1.381836
195.2150 1.552490
195.6971 1.293457
196.1792 1.002930
196.6613 0.5952150
197.1434 0.4021000
197.6255 0.9282230
198.1077 1.869141
198.5898 2.445557
199.0719 1.791992
199.5540 0.3173830
200.0361 1.0986000E-02
200.5182 2.004150
201.0004 3.531982
201.4825 2.796875
201.9646 0.4304200
202.4467 1.989746
202.9288 3.492432
203.4109 4.101563
203.8930 4.145996
204.3752 2.993408
204.8573 1.862061
205.3394 1.241211
205.8215 1.011963
206.3036 0.8188480
206.7857 0.3125000
207.2679 0.5441890
207.7500 0.9992680
208.2321 0.6650390
208.7142 0.2585450
209.1963 2.2705000E-02
209.6784 0.2082520
210.1606 0.3962400
210.6427 0.6870120
211.1248 1.104980
211.6069 1.487061
212.0890 2.542725
212.5711 2.941895
213.0533 1.632568
213.5354 0.9726560
214.0175 3.535645
214.4996 4.783203
214.9817 4.475342
215.4638 4.415771
215.9460 4.962646
216.4281 5.373535
216.9102 4.749512
217.3923 3.428711
217.8744 2.939941
218.3565 4.960205
218.8387 9.968506
219.3208 12.86157
219.8029 12.15259
220.2850 10.82251
220.7671 10.36475
221.2492 10.93555
221.7314 12.34766
222.2135 14.64185
222.6956 17.87671
223.1777 20.54736
223.6598 21.98022
224.1419 23.33618
224.6240 25.83276
225.1062 29.45288
225.5883 32.61743
226.0704 33.71655
226.5525 33.03931
227.0346 33.23486
227.5167 34.64819
227.9989 36.88892
228.4810 39.86816
228.9631 43.60400
229.4452 47.29346
229.9273 50.21265
230.4094 52.61475
230.8916 55.23022
231.3737 58.50464
231.8558 61.85156
232.3379 64.43481
232.8200 66.11475
233.3021 67.92725
233.7843 70.51904
234.2664 73.70483
234.7485 77.32227
235.2306 81.59326
235.7127 86.06616
236.1948 90.03638
236.6770 93.35596
237.1591 96.90649
237.6412 101.7258
238.1233 106.8525
238.6054 111.1494
239.0875 114.0012
239.5697 116.2908
240.0518 119.6382
240.5339 124.6279
241.0160 128.7695
241.4981 130.6223
241.9802 131.3423
242.4624 132.0925
242.9445 133.4253
243.4266 134.4963
243.9087 133.7610
244.3908 130.8135
244.8729 127.1240
245.3550 122.8340
245.8372 118.2271
246.3193 113.5803
246.8014 108.9910
247.2835 104.2058
247.7656 98.63379
248.2477 91.99097
248.7299 85.06152
249.2120 77.48706
249.6941 70.19336
250.1762 63.77197
250.6583 58.35913
251.1404 53.83057
251.6226 50.16162
252.1047 47.93481
252.5868 45.39209
253.0689 41.53076
253.5510 37.87817
254.0331 35.61841
254.5153 35.01514
254.9974 35.31519
255.4795 35.44238
255.9616 35.45020
256.4437 35.15454
256.9258 34.18506
257.4080 33.23950
257.8901 32.76294
258.3722 32.87231
258.8543 33.35352
259.3364 33.98853
259.8185 35.00586
260.3007 35.44580
260.7828 34.73560
261.2649 34.05176
261.7470 34.21729
262.2291 35.32080
262.7112 36.76367
263.1934 37.87427
263.6755 38.56885
264.1576 39.05884
264.6397 38.96362
265.1218 39.01831
265.6039 39.98413
266.0861 41.64233
266.5682 42.88721
267.0503 42.46289
267.5324 39.86938
268.0145 38.90405
268.4966 41.16309
268.9788 43.24951
269.4609 43.42554
269.9430 41.83447
270.4251 39.67358
270.9072 37.94312
271.3893 36.66870
271.8715 35.10718
272.3536 31.74316
272.8357 29.59326
273.3178 30.62451
273.7999 34.04492
274.2820 37.73218
274.7642 40.39258
275.2463 42.01343
275.7284 42.31055
276.2105 40.40918
276.6926 38.50073
277.1747 36.79956
277.6568 35.59570
278.1389 35.66064
278.6211 37.60059
279.1032 40.87280
279.5853 43.12524
280.0674 43.48389
280.5495 44.06689
281.0316 45.62988
281.5138 47.75220
281.9959 49.61328
282.4780 50.80518
282.9601 51.73584
283.4422 53.57324
283.9243 57.39575
284.4065 60.04395
284.8886 60.16626
285.3707 58.92334
285.8528 57.81519
286.3349 57.26636
286.8170 57.40869
287.2992 58.80371
287.7813 62.15210
288.2634 64.27588
288.7455 63.82690
289.2276 62.22144
289.7097 61.10742
290.1919 60.85352
290.6740 61.05322
291.1561 61.44238
291.6382 62.15625
292.1203 61.80005
292.6024 60.03369
293.0846 57.24194
293.5667 53.25903
294.0488 48.09863
294.5309 43.38696
295.0130 40.90088
295.4951 40.68359
295.9773 39.56470
296.4594 36.47510
296.9415 33.13013
297.4236 31.05884
297.9057 30.21313
298.3878 29.21118
298.8700 26.91162
299.3521 23.58838
299.8342 21.15942
300.3163 19.95264
300.7984 19.32031
301.2805 19.45679
301.7627 20.04956
302.2448 19.48901
302.7269 16.31006
303.2090 11.87061
303.6911 10.31152
304.1732 13.61963
304.6554 16.30151
305.1375 15.00586
305.6196 11.17114
306.1017 8.601318
306.5838 8.926025
307.0659 10.83228
307.5481 11.81494
308.0302 11.72681
308.5123 11.64209
308.9944 11.55713
309.4765 11.77490
309.9586 12.94824
310.4408 15.33618
310.9229 18.28809
311.4050 20.93311
311.8871 23.23730
312.3692 25.85059
312.8513 29.39795
313.3335 33.07031
313.8156 35.99292
314.2977 38.02686
314.7798 39.29126
315.2619 39.46558
315.7440 38.67944
316.2262 38.90845
316.7083 40.81470
317.1904 43.43359
317.6725 45.93970
318.1546 48.33936
318.6367 51.16968
319.1188 54.91016
319.6010 59.39453
320.0831 63.68481
320.5652 67.35498
321.0473 71.27759
321.5294 76.46069
322.0115 82.42773
322.4937 87.34668
322.9758 89.95166
323.4579 91.45752
323.9400 94.97729
324.4221 100.6892
324.9042 107.1943
325.3864 114.7200
325.8685 122.9189
326.3506 130.9045
326.8327 138.2693
327.3148 145.3250
327.7969 152.7356
328.2791 160.6663
328.7612 168.2769
329.2433 174.5793
329.7254 180.6609
330.2075 188.5071
330.6896 198.5068
331.1718 207.9690
331.6539 213.9333
332.1360 216.0134
332.6181 218.6829
333.1002 224.2070
333.5823 229.0212
334.0645 230.1475
334.5466 227.5850
335.0287 223.4133
335.5108 219.1187
335.9929 214.5420
336.4750 208.6189
336.9572 200.6362
337.4393 191.9578
337.9214 182.5579
338.4035 172.9004
338.8856 164.3054
339.3677 157.5879
339.8499 151.9351
340.3320 144.9631
340.8141 135.7595
341.2962 126.9153
341.7783 119.2712
342.2604 112.1445
342.7426 104.5222
343.2247 96.14868
343.7068 87.87207
344.1889 80.98730
344.6710 76.17163
345.1531 70.74878
345.6353 63.90576
346.1174 57.10107
346.5995 51.47339
347.0816 47.12427
347.5637 43.35376
348.0458 39.57397
348.5280 35.74951
349.0101 32.86890
349.4922 31.64282
349.9743 30.48608
350.4564 28.76221
350.9385 26.60669
351.4207 24.34888
351.9028 22.16309
352.3849 20.11450
352.8670 18.45728
353.3491 17.32324
353.8312 16.42798
354.3134 15.69702
354.7955 15.20874
355.2776 15.11768
355.7597 15.47095
356.2418 16.04785
356.7239 16.50317
357.2061 16.97974
357.6882 16.95947
358.1703 15.65503
358.6524 14.46973
359.1345 14.65063
359.6166 16.09668
360.0987 17.55737
360.5808 17.67944
361.0630 16.18628
361.5451 15.99561
362.0272 18.20190
362.5093 20.47070
362.9914 22.47363
363.4735 23.93140
363.9557 24.30371
364.4378 23.16187
364.9199 21.00122
365.4020 19.93677
365.8841 20.87109
366.3662 21.75684
366.8484 22.00537
367.3305 22.27612
367.8126 23.43481
368.2947 25.69629
368.7768 28.22437
369.2589 29.71289
369.7411 29.90771
370.2232 29.71045
370.7053 29.08887
371.1874 28.15845
371.6695 26.70874
372.1516 24.90820
372.6338 23.29346
373.1159 22.52563
373.5980 22.55542
374.0801 21.71411
374.5622 19.10791
375.0443 16.68164
375.5265 14.81299
376.0086 13.57715
376.4907 13.23706
376.9728 14.10864
377.4549 15.47437
377.9370 15.73364
378.4192 14.67676
378.9013 13.09534
379.3834 11.07971
379.8655 8.717896
380.3476 5.663696
380.8297 1.880249
381.3119 1.293579
381.7940 1.830933
382.2761 0.1903080
382.7582 0.6756590
383.2403 1.998779
383.7224 5.037964
384.2046 6.561646
384.6867 6.826660
385.1688 6.900146
385.6509 7.605225
386.1330 8.457031
386.6151 8.198486
387.0973 6.554443
387.5794 4.817017
388.0615 3.776123
388.5436 3.105347
389.0257 2.261353
389.5078 0.8099370
389.9900 0.1970210
390.4721 0.7165530
390.9542 3.249512
391.4363 4.851563
391.9184 4.344482
392.4005 2.968262
392.8827 2.559692
393.3648 3.200195
393.8469 3.525513
394.3290 2.690186
394.8111 1.290649
395.2932 0.2034910
395.7754 0.4682620
396.2575 0.7407230
396.7396 0.3028560
397.2217 0.6701660
397.7038 0.5800780
398.1859 1.620117
398.6681 4.050293
399.1501 5.802002
399.6323 6.799194
400.1144 6.717773
400.5965 5.146729
401.0786 2.784058
401.5607 1.721680
402.0428 2.213623
402.5250 3.273682
403.0071 5.404907
403.4892 7.699707
403.9713 8.850098
404.4534 8.628784
404.9355 8.244751
405.4177 9.198120
405.8998 11.91125
406.3819 13.85864
406.8640 14.88257
407.3461 15.41077
407.8282 15.16052
408.3104 14.57776
408.7925 14.80725
409.2746 16.69812
409.7567 19.63159
410.2388 20.70654
410.7209 17.50000
411.2031 15.53369
411.6852 15.58594
412.1673 16.87061
412.6494 19.07654
413.1315 21.93518
413.6136 24.53003
414.0958 25.38513
414.5779 23.78992
415.0600 23.32129
415.5421 25.54492
416.0242 27.47205
416.5063 27.43335
416.9885 26.13232
417.4706 25.32178
417.9527 26.01038
418.4348 28.10156
418.9169 31.53125
419.3990 37.19141
419.8812 42.18481
420.3633 45.29175
420.8454 47.53625
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