#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:01:17 +0300 (Thu, 26 Apr 2018) $
#$Revision: 605 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000144.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_1000144
loop_
_publ_author_name
'Biagioni, C.'
'Merlino, S.'
'Parodi, G. C.'
'Perchiazzi, N.'
_publ_section_title
;
 Crystal chemistry of minerals of the wohlerite group from the Los
 Archipelago, Guinea
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              593
_journal_page_last               609
_journal_paper_doi               10.3749/canmin.50.3.593
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'the nepheline syenites of the Los Archipelago, Guinea'
_chemical_formula_sum
'Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733'
_chemical_name_mineral           Lavenite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.392
_cell_angle_gamma                90
_cell_length_a                   10.8475
_cell_length_b                   9.9364
_cell_length_c                   7.1488
_cell_volume                     731.175
_exptl_crystal_density_diffrn    3.607
_cod_original_formula_sum
'Zr.733 Ti.477 Mn.79 (Ca.82 Na1.18) Si2 O7.75 F1.25'
_cod_database_code               9014318
_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            R120044.rod
_rod_data_source.block           3500000
_rod_database.code               1000144
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 9014318 COD http://www.crystallography.net/cod/9014318.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
105.1028 0.0000000E+00
105.5849 0.4963990
106.0670 7.6782003E-02
106.5491 0.3010860
107.0313 1.7792000E-02
107.5134 0.8727420
107.9955 2.076233
108.4776 3.318329
108.9597 4.548218
109.4418 5.814056
109.9240 7.013519
110.4061 8.266815
110.8882 9.573669
111.3703 10.90945
111.8524 12.42154
112.3345 14.56015
112.8167 17.92407
113.2988 21.14621
113.7809 23.92709
114.2630 26.46100
114.7451 29.10995
115.2272 32.11188
115.7094 35.43597
116.1915 37.91541
116.6736 39.04276
117.1557 39.99249
117.6378 40.97098
118.1199 42.06268
118.6021 43.43817
119.0842 45.33374
119.5663 47.77719
120.0484 49.68674
120.5305 50.55392
121.0126 51.20535
121.4948 52.51740
121.9769 54.67337
122.4590 56.76541
122.9411 57.69455
123.4232 57.74268
123.9053 57.62418
124.3875 57.52219
124.8696 57.42465
125.3517 57.26605
125.8338 56.95667
126.3159 56.69669
126.7980 56.60001
127.2802 56.65884
127.7623 56.82794
128.2444 57.17892
128.7265 57.75589
129.2086 58.03204
129.6907 57.55374
130.1729 57.05591
130.6550 57.01575
131.1371 57.42438
131.6192 57.80759
132.1013 57.45209
132.5834 55.82285
133.0656 54.47299
133.5477 53.19946
134.0298 52.28348
134.5119 52.16180
134.9940 52.93073
135.4761 54.06668
135.9583 54.36093
136.4404 52.89429
136.9225 51.68137
137.4046 51.15955
137.8867 50.88422
138.3688 50.11237
138.8510 48.39334
139.3331 46.18414
139.8152 45.04132
140.2973 45.66629
140.7794 46.09821
141.2615 45.46747
141.7437 43.96600
142.2258 42.22156
142.7079 40.38864
143.1900 38.55920
143.6721 36.88010
144.1542 35.44016
144.6364 34.15613
145.1185 32.96094
145.6006 31.84485
146.0827 30.73987
146.5648 29.64325
147.0469 28.48380
147.5291 27.29840
148.0112 26.10645
148.4933 24.91452
148.9754 23.70331
149.4575 22.31396
149.9396 21.20822
150.4218 20.69873
150.9039 20.46878
151.3860 20.08215
151.8681 19.24081
152.3502 18.01627
152.8323 17.08047
153.3145 16.81210
153.7966 16.48441
154.2787 15.88876
154.7608 15.11212
155.2429 14.37897
155.7250 13.89575
156.2072 13.70935
156.6893 13.02390
157.1714 11.11987
157.6535 9.462921
158.1356 8.787567
158.6177 9.004883
159.0999 9.474518
159.5820 9.603668
160.0641 9.312042
160.5462 9.284180
161.0283 9.945618
161.5104 10.57382
161.9926 10.51474
162.4747 9.691681
162.9568 8.545990
163.4389 7.838013
163.9210 7.549744
164.4031 7.343842
164.8853 7.307495
165.3674 7.284302
165.8495 7.033051
166.3316 6.477875
166.8137 5.802612
167.2958 5.041901
167.7780 4.251251
168.2601 3.740112
168.7422 3.917175
169.2243 4.562592
169.7064 4.744568
170.1885 4.064667
170.6707 3.268433
171.1528 2.860687
171.6349 2.782440
172.1170 2.748840
172.5991 2.461639
173.0812 1.895416
173.5634 1.620331
174.0455 2.205383
174.5276 2.658569
175.0097 2.474731
175.4918 1.701508
175.9739 0.7501830
176.4561 6.4606003E-02
176.9382 0.2815860
177.4203 0.6216130
177.9024 1.117249
178.3845 1.488190
178.8666 1.567596
179.3488 1.343781
179.8309 0.9079590
180.3130 0.3274230
180.7951 0.7364500
181.2772 1.094116
181.7593 0.2839660
182.2415 0.8331600
182.7236 1.710205
183.2057 2.191315
183.6878 2.352295
184.1699 2.293427
184.6520 1.908997
185.1342 1.465729
185.6163 0.7283330
186.0984 3.1280998E-02
186.5805 0.1594850
187.0626 0.3196410
187.5447 1.018646
188.0269 1.159119
188.5090 0.6647340
188.9911 7.4828997E-02
189.4732 0.7102360
189.9553 1.484802
190.4374 1.778961
190.9196 1.302032
191.4017 0.6506040
191.8838 0.7857670
192.3659 1.742340
192.8480 2.634857
193.3301 2.940796
193.8123 2.835663
194.2944 2.991119
194.7765 3.791718
195.2586 4.651154
195.7407 4.811401
196.2228 4.249390
196.7050 3.910828
197.1871 4.610229
197.6692 6.257019
198.1513 7.758301
198.6334 8.955414
199.1155 9.971558
199.5977 10.82034
200.0798 11.51743
200.5619 12.27121
201.0440 13.36728
201.5261 14.88333
202.0082 16.18454
202.4904 16.99472
202.9725 17.65494
203.4546 18.31680
203.9367 19.03973
204.4188 19.82849
204.9009 20.57263
205.3831 21.11017
205.8652 22.04803
206.3473 23.93454
206.8294 25.81430
207.3115 27.12137
207.7936 27.74988
208.2758 27.95523
208.7579 28.06250
209.2400 27.77594
209.7221 28.14722
210.2042 29.74896
210.6863 31.55161
211.1685 32.81631
211.6506 33.32449
212.1327 33.39886
212.6148 33.67215
213.0969 34.23004
213.5790 34.93024
214.0612 36.12134
214.5433 37.23361
215.0254 37.72333
215.5075 37.49042
215.9896 36.98734
216.4717 36.84918
216.9539 37.25516
217.4360 37.64871
217.9181 38.01721
218.4002 38.37180
218.8823 38.80106
219.3644 39.32767
219.8466 39.72211
220.3287 39.60028
220.8108 38.85898
221.2929 38.21091
221.7750 37.90570
222.2571 37.68481
222.7393 37.14713
223.2214 36.16382
223.7035 35.14584
224.1856 34.66898
224.6677 34.68497
225.1498 34.73975
225.6320 34.92664
226.1141 35.03247
226.5962 34.59027
227.0783 33.36270
227.5604 32.06021
228.0425 31.55234
228.5247 31.64407
229.0068 31.51498
229.4889 30.59677
229.9710 29.26144
230.4531 28.43854
230.9352 28.50641
231.4174 28.47787
231.8995 27.36945
232.3816 25.53754
232.8637 23.95529
233.3458 23.25504
233.8279 23.18198
234.3101 22.90146
234.7922 22.34241
235.2743 21.64078
235.7564 20.86679
236.2385 20.02820
236.7206 19.12631
237.2028 18.07434
237.6849 16.96661
238.1670 16.22595
238.6491 16.18881
239.1312 15.99722
239.6133 15.17892
240.0955 13.99161
240.5776 12.88226
241.0597 12.16281
241.5418 11.74454
242.0239 11.15656
242.5060 10.20361
242.9882 9.369781
243.4703 8.963837
243.9524 8.721771
244.4345 8.182098
244.9166 6.992218
245.3987 5.390594
245.8809 4.632813
246.3630 5.658752
246.8451 6.385681
247.3272 6.055634
247.8093 5.271332
248.2914 4.965149
248.7736 5.707153
249.2557 7.038727
249.7378 7.045532
250.2199 4.071472
250.7020 1.766449
251.1841 0.9372860
251.6663 0.9151610
252.1484 0.9228820
252.6305 0.5852360
253.1126 2.6946999E-02
253.5947 0.3693240
254.0768 0.6629030
254.5590 0.6730040
255.0411 4.7610002E-03
255.5232 0.8027650
256.0053 1.113403
256.4874 0.6585390
256.9695 0.2722780
257.4517 0.9792790
257.9338 1.390015
258.4159 1.627258
258.8980 1.719635
259.3801 1.629639
259.8622 1.214752
260.3444 0.4378360
260.8265 0.4281620
261.3086 0.8589170
261.7907 0.4536740
262.2728 0.2169190
262.7549 0.2814330
263.2371 0.4590760
263.7192 0.5208740
264.2013 0.4121700
264.6834 0.3252260
265.1655 0.5788880
265.6476 1.435730
266.1298 1.986938
266.6119 2.205505
267.0940 2.122345
267.5761 1.476410
268.0582 0.2674870
268.5403 0.6650090
269.0225 0.2170720
269.5046 2.055481
269.9867 3.817291
270.4688 4.727539
270.9509 5.286224
271.4330 5.920532
271.9152 6.678741
272.3973 7.339050
272.8794 7.616699
273.3615 7.483215
273.8436 7.660797
274.3257 8.360931
274.8079 9.237946
275.2900 9.921509
275.7721 10.43100
276.2542 11.22717
276.7363 12.77502
277.2184 14.96396
277.7006 16.80472
278.1827 18.08145
278.6648 19.12891
279.1469 20.04166
279.6290 20.86118
280.1111 21.86816
280.5933 23.29785
281.0754 25.02762
281.5575 26.59140
282.0396 27.78101
282.5217 29.05130
283.0038 30.90372
283.4860 33.17490
283.9681 34.98920
284.4502 35.74643
284.9323 36.00220
285.4144 36.91049
285.8965 38.60281
286.3787 40.55685
286.8608 42.46692
287.3429 44.35443
287.8250 46.50320
288.3071 49.23798
288.7892 52.08066
289.2714 54.35773
289.7535 56.04221
290.2356 57.50433
290.7177 58.85123
291.1998 60.10422
291.6819 61.32761
292.1641 62.51498
292.6462 63.71863
293.1283 65.03424
293.6104 66.44196
294.0925 67.79626
294.5746 69.10190
295.0568 70.29977
295.5389 71.21674
296.0210 71.75287
296.5031 72.24405
296.9852 73.15424
297.4673 74.29105
297.9495 75.07666
298.4316 74.89365
298.9137 74.41434
299.3958 74.86328
299.8779 76.51410
300.3600 77.88242
300.8422 77.62512
301.3243 76.44852
301.8064 75.52344
302.2885 75.25235
302.7706 75.18466
303.2527 74.82050
303.7349 74.14444
304.2170 73.36380
304.6991 72.60837
305.1812 71.77139
305.6633 70.64993
306.1454 69.07608
306.6276 67.57736
307.1097 66.78711
307.5918 66.65234
308.0739 66.19620
308.5560 65.06577
309.0381 63.43549
309.5203 61.51132
310.0024 59.25854
310.4845 57.03421
310.9666 55.00632
311.4487 53.18826
311.9308 51.72272
312.4130 50.93799
312.8951 50.15976
313.3772 48.73904
313.8593 46.71558
314.3414 44.48981
314.8235 42.03000
315.3057 39.50574
315.7878 37.36084
316.2699 35.73929
316.7520 34.30783
317.2341 33.05399
317.7162 31.84607
318.1984 30.29773
318.6805 27.74045
319.1626 24.97803
319.6447 23.55402
320.1268 23.79718
320.6089 23.79410
321.0911 21.99170
321.5732 19.38205
322.0553 17.38495
322.5374 16.59802
323.0195 15.99493
323.5016 14.16089
323.9838 11.05005
324.4659 8.908081
324.9480 9.414795
325.4301 10.74216
325.9122 10.50241
326.3943 8.313202
326.8765 5.991882
327.3586 4.919891
327.8407 4.833527
328.3228 4.668518
328.8049 4.206299
329.2870 3.551086
329.7692 2.742126
330.2513 1.800476
330.7334 0.9974370
331.2155 0.5432740
331.6976 0.3169560
332.1797 5.9905998E-02
332.6619 0.2341920
333.1440 0.6181950
333.6261 1.268433
334.1082 2.056671
334.5903 2.655701
335.0724 2.930023
335.5546 2.979675
336.0367 2.852539
336.5188 2.525055
337.0009 2.294495
337.4830 2.415619
337.9651 2.723755
338.4473 2.906433
338.9294 2.885315
339.4115 2.801819
339.8936 2.803345
340.3757 2.864380
340.8578 2.775543
341.3400 2.347107
341.8221 1.844238
342.3042 1.705536
342.7863 2.001312
343.2684 2.240967
343.7505 2.337402
344.2327 2.196411
344.7148 1.457794
345.1969 0.1369320
345.6790 1.850281
346.1611 2.748199
346.6432 2.960938
347.1254 3.153564
347.6075 3.760345
348.0896 4.310669
348.5717 3.891571
349.0538 2.375732
349.5359 1.306213
350.0181 2.155701
350.5002 4.471191
350.9823 6.001343
351.4644 5.944183
351.9465 5.644043
352.4286 6.014557
352.9108 6.942535
353.3929 7.915619
353.8750 8.724304
354.3571 9.378418
354.8392 9.873444
355.3214 10.04074
355.8035 10.43115
356.2856 11.32376
356.7677 12.55527
357.2498 13.89960
357.7319 15.32788
358.2141 16.66843
358.6962 17.60397
359.1783 18.01306
359.6604 18.79971
360.1425 20.48563
360.6246 22.34387
361.1068 23.59927
361.5889 24.22559
362.0710 24.83511
362.5531 26.00644
363.0352 27.72272
363.5173 28.91833
363.9995 29.23825
364.4816 29.45032
364.9637 29.59409
365.4458 29.89709
365.9279 31.01099
366.4100 33.38690
366.8922 36.53522
367.3743 38.80698
367.8564 39.66583
368.3385 40.47742
368.8206 41.45044
369.3027 42.44806
369.7849 43.21741
370.2670 43.70282
370.7491 44.24622
371.2312 45.41733
371.7133 47.74023
372.1954 48.96509
372.6776 48.03268
373.1597 46.97083
373.6418 47.08472
374.1239 48.29587
374.6060 49.72101
375.0881 50.65869
375.5703 51.12964
376.0524 51.99594
376.5345 54.08191
377.0166 55.62811
377.4987 55.86258
377.9808 55.41113
378.4630 55.23685
378.9451 55.78647
379.4272 56.69852
379.9093 57.08585
380.3914 56.44632
380.8735 56.11346
381.3557 56.13269
381.8378 56.43576
382.3199 57.20221
382.8020 58.32651
383.2841 59.25449
383.7662 59.27774
384.2484 58.22174
384.7305 57.47427
385.2126 57.46799
385.6947 57.35440
386.1768 56.77380
386.6589 55.88144
387.1411 54.97424
387.6232 54.17746
388.1053 53.57230
388.5874 53.53806
389.0695 54.55838
389.5516 55.21310
390.0338 55.07123
390.5159 54.52383
390.9980 53.89172
391.4801 53.25229
391.9622 52.54102
392.4443 51.64697
392.9265 50.55927
393.4086 49.63669
393.8907 49.02063
394.3728 48.53778
394.8549 48.08707
395.3370 47.65060
395.8192 47.25339
396.3013 47.08087
396.7834 46.98227
397.2655 46.31284
397.7476 44.79156
398.2297 43.41122
398.7119 42.86481
399.1940 42.75052
399.6761 42.53693
400.1582 42.00259
400.6403 41.43884
401.1224 41.23804
401.6046 41.37952
402.0867 41.40347
402.5688 41.17514
403.0509 40.82962
403.5330 40.33264
404.0151 39.66324
404.4973 39.42224
404.9794 40.43494
405.4615 41.88959
405.9436 42.19791
406.4257 41.05905
406.9078 39.74179
407.3900 39.37677
407.8721 39.75021
408.3542 39.66949
408.8363 38.42487
409.3184 37.27344
409.8005 37.24872
410.2827 38.05301
410.7648 38.60486
411.2469 38.37219
411.7290 37.73050
412.2111 37.56241
412.6932 38.09561
413.1754 38.45355
413.6575 38.45694
414.1396 38.22696
414.6217 37.77151
415.1038 37.13251
415.5859 36.60281
416.0681 36.48636
416.5502 36.82181
417.0323 37.18518
417.5144 37.66440
417.9965 38.07422
418.4786 38.49066
418.9608 38.76566
419.4429 38.57324
419.9250 37.72559
420.4071 36.47992
420.8892 35.45706
421.3713 33.42252
421.8535 33.69983
422.3356 38.91495
422.8177 44.55560
423.2998 47.07422
423.7819 46.10144
424.2640 43.56036
424.7462 41.25998
425.2283 39.18506
425.7104 37.44345
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