#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:07:19 +0300 (Thu, 26 Apr 2018) $
#$Revision: 648 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000181.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_1000181
loop_
_publ_author_name
'Andrade, M. B.'
'Atencio, D.'
'Menezes, L. A. D.'
'Ellena, J.'
_publ_section_title
;
 The crystal structure of a microlite-group mineral with a formula near
 NaCaTa2O6F from the Morro Redondo mine, Coronel Murta, Minas Gerias,
 Brazil
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              615
_journal_page_last               621
_journal_paper_doi               10.3749/canmin.49.2.615
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        R120140
_chemical_formula_sum
'As0.04 Ca0.88 F0.73 H0.24 Na0.88 Nb0.14 O6 Pb0.02 Si0.12 Ta1.7'
_chemical_name_mineral           Fluornatromicrolite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.4396
_cell_length_b                   10.4396
_cell_length_c                   10.4396
_cell_volume                     1137.762
_exptl_crystal_density_diffrn    5.800
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Na.88 Ca.88 Pb.02 (Ta1.7 Nb.14 Si.12 As.04) O6 F.73 H.24'
_cod_database_code               9014190
_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            R120140.rod
_rod_data_source.block           3500000
_rod_database.code               1000181
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 9014190 COD http://www.crystallography.net/cod/9014190.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
110.4842 0.0000000E+00
110.9664 0.1633380
111.4485 6.0066000E-02
111.9306 1.9835999E-02
112.4127 0.2838210
112.8948 0.9539720
113.3769 1.681709
113.8591 2.028610
114.3412 1.723656
114.8233 1.506073
115.3054 1.394951
115.7875 1.350090
116.2696 1.349197
116.7517 1.389038
117.2339 1.489601
117.7160 1.529358
118.1981 1.252739
118.6802 1.016502
119.1623 0.9218900
119.6444 0.9823910
120.1266 1.182854
120.6087 1.649712
121.0908 2.144775
121.5729 2.309128
122.0550 2.080338
122.5371 1.665810
123.0193 1.172379
123.5014 0.5597920
123.9835 8.3655998E-02
124.4656 7.7705003E-02
124.9477 3.8833998E-02
125.4298 0.1226270
125.9120 0.4197010
126.3941 0.7983780
126.8762 1.197060
127.3583 1.654152
127.8404 2.065399
128.3225 2.534447
128.8047 2.928986
129.2868 3.027313
129.7689 2.618195
130.2510 1.740082
130.7331 1.272285
131.2152 1.660721
131.6974 2.054634
132.1795 2.293175
132.6616 2.386681
133.1437 2.406471
133.6258 2.432915
134.1079 2.487175
134.5901 2.516060
135.0722 2.380455
135.5543 2.299751
136.0364 2.478539
136.5185 2.917175
137.0006 3.366203
137.4828 3.508583
137.9649 3.301399
138.4470 3.239372
138.9291 3.492058
139.4112 3.735374
139.8933 3.711288
140.3755 3.405334
140.8576 3.127167
141.3397 3.264359
141.8218 3.633507
142.3039 3.830765
142.7860 3.760155
143.2681 3.543182
143.7503 3.411461
144.2324 3.387596
144.7145 3.427528
145.1966 3.551727
145.6787 3.742020
146.1608 3.880119
146.6430 3.877808
147.1251 3.718109
147.6072 3.539818
148.0893 3.253334
148.5714 3.032013
149.0535 3.053047
149.5357 3.339386
150.0178 3.661491
150.4999 3.628548
150.9820 2.994949
151.4641 2.587502
151.9462 2.645172
152.4284 2.817406
152.9105 2.796349
153.3926 2.475746
153.8747 1.997513
154.3568 1.717827
154.8389 1.831955
155.3211 1.935883
155.8032 2.064011
156.2853 2.155731
156.7674 2.105286
157.2495 1.848648
157.7316 1.466537
158.2138 1.314346
158.6959 1.562714
159.1780 1.810745
159.6601 2.012894
160.1422 2.148155
160.6243 2.161781
161.1065 2.002388
161.5886 1.704056
162.0707 1.448372
162.5528 1.172653
163.0349 0.9911420
163.5170 1.076691
163.9991 1.393623
164.4813 1.578743
164.9634 1.339005
165.4455 0.8139110
165.9276 0.3454740
166.4097 7.2227001E-02
166.8918 0.3897320
167.3740 0.5162350
167.8561 0.4182590
168.3382 0.2188110
168.8203 5.1010001E-02
169.3024 6.9472998E-02
169.7845 0.1066740
170.2667 3.1189000E-02
170.7488 0.1239550
171.2309 0.3051760
171.7130 0.5938490
172.1951 0.7446140
172.6772 0.6192400
173.1594 0.3287200
173.6415 1.9157000E-02
174.1236 0.2464220
174.6057 0.4603730
175.0878 0.5597990
175.5699 0.4217990
176.0521 0.2997820
176.5342 0.2251820
177.0163 0.2199860
177.4984 0.3380970
177.9805 0.6430890
178.4626 1.131271
178.9448 1.390686
179.4269 1.088860
179.9090 0.8617320
180.3911 0.9532780
180.8732 1.295822
181.3553 1.666168
181.8375 1.868622
182.3196 1.878296
182.8017 2.030418
183.2838 2.404396
183.7659 2.801964
184.2480 3.135086
184.7301 3.394859
185.2123 3.611565
185.6944 3.816582
186.1765 4.014893
186.6586 4.139442
187.1407 4.157417
187.6228 4.140205
188.1050 4.078384
188.5871 3.976707
189.0692 3.990746
189.5513 4.375465
190.0334 5.114082
190.5155 5.582642
190.9977 5.498024
191.4798 5.216370
191.9619 5.157310
192.4440 5.385307
192.9261 5.662064
193.4082 5.749504
193.8904 5.714615
194.3725 5.751572
194.8546 5.965775
195.3367 6.281784
195.8188 6.575523
196.3009 6.874359
196.7831 7.059769
197.2652 6.981071
197.7473 6.723007
198.2294 6.499420
198.7115 6.384651
199.1936 6.378654
199.6758 6.523651
200.1579 6.980988
200.6400 7.372925
201.1221 7.493942
201.6042 7.398483
202.0863 7.223625
202.5685 7.007820
203.0506 6.761322
203.5327 6.675407
204.0148 6.816032
204.4969 7.072266
204.9790 7.511162
205.4612 8.039574
205.9433 8.462357
206.4254 8.606453
206.9075 8.460388
207.3896 8.277443
207.8717 7.919655
208.3539 7.649696
208.8360 7.591156
209.3181 7.703064
209.8002 7.866058
210.2823 7.982956
210.7644 8.055283
211.2466 8.054039
211.7287 7.753242
212.2108 7.591583
212.6929 7.862846
213.1750 8.468369
213.6571 9.077217
214.1393 9.391068
214.6214 9.378143
215.1035 9.249290
215.5856 8.802406
216.0677 8.439690
216.5498 8.415047
217.0320 8.691895
217.5141 9.028793
217.9962 9.200142
218.4783 9.175232
218.9604 9.268120
219.4425 9.479622
219.9247 9.787872
220.4068 10.15073
220.8889 10.58049
221.3710 11.16296
221.8531 11.98200
222.3352 13.06433
222.8174 14.22659
223.2995 15.79994
223.7816 17.20836
224.2637 17.98239
224.7458 18.11085
225.2279 17.92293
225.7100 17.74030
226.1922 17.47295
226.6743 16.63791
227.1564 14.85139
227.6385 12.69363
228.1206 10.59502
228.6027 8.568192
229.0849 6.745506
229.5670 5.225304
230.0491 4.016846
230.5312 3.124794
231.0133 2.794090
231.4954 2.667709
231.9776 2.322098
232.4597 1.717751
232.9418 1.101570
233.4239 0.6199800
233.9060 0.2262650
234.3881 0.1439130
234.8703 0.5305180
235.3524 0.8716740
235.8345 1.093254
236.3166 1.192093
236.7987 1.190132
237.2808 1.009163
237.7630 0.7657620
238.2451 0.5743100
238.7272 0.4570920
239.2093 0.4224240
239.6914 0.5236050
240.1735 0.8278500
240.6557 1.057404
241.1378 1.085014
241.6199 0.9980320
242.1020 0.8566820
242.5841 0.6722490
243.0662 0.4708860
243.5484 0.2797470
244.0305 6.5651000E-02
244.5126 4.0955000E-02
244.9947 0.1249920
245.4768 0.3397450
245.9589 0.3955000
246.4410 0.2166140
246.9232 7.3569998E-02
247.4053 0.2907030
247.8874 0.4732970
248.3695 0.4743350
248.8516 2.6320000E-03
249.3337 0.4949490
249.8159 0.5806500
250.2980 0.1408390
250.7801 0.5158000
251.2622 0.8532560
251.7443 0.6722110
252.2264 0.6139530
252.7086 0.7907410
253.1907 1.054184
253.6728 1.331314
254.1549 1.592430
254.6370 1.812141
255.1191 1.903572
255.6013 1.625610
256.0834 1.772079
256.5655 2.773758
257.0476 3.822762
257.5297 4.273659
258.0118 4.070930
258.4940 3.751328
258.9761 4.093575
259.4582 5.549080
259.9403 6.521042
260.4224 6.723289
260.9045 6.779564
261.3867 7.097923
261.8688 7.704010
262.3509 8.321053
262.8330 8.602959
263.3151 8.370018
263.7972 8.471924
264.2794 9.003967
264.7615 9.715530
265.2436 10.57033
265.7257 11.50249
266.2078 12.36064
266.6899 12.97862
267.1721 13.29823
267.6542 13.73862
268.1363 14.26414
268.6184 14.91161
269.1005 15.74424
269.5826 16.72694
270.0648 17.74634
270.5469 18.70956
271.0290 19.60653
271.5111 20.57131
271.9932 21.67653
272.4753 22.76070
272.9575 23.67513
273.4396 24.49744
273.9217 25.45094
274.4038 26.70986
274.8859 28.24035
275.3680 29.59138
275.8501 30.71822
276.3322 31.76865
276.8144 32.67101
277.2965 33.53634
277.7786 34.60502
278.2607 36.02480
278.7428 37.71999
279.2249 39.39227
279.7071 41.02804
280.1892 42.66789
280.6713 44.31938
281.1534 45.98308
281.6355 47.70770
282.1176 49.54235
282.5998 51.35640
283.0819 52.69093
283.5640 53.00912
284.0461 53.91933
284.5282 56.14519
285.0103 59.05666
285.4925 61.76869
285.9746 64.00259
286.4567 65.91644
286.9388 67.72011
287.4209 69.28255
287.9030 71.14670
288.3852 73.47156
288.8673 76.10841
289.3494 79.00843
289.8315 82.18002
290.3136 85.20252
290.7957 87.57784
291.2779 89.24231
291.7600 90.58686
292.2421 91.75144
292.7242 92.53656
293.2063 92.63916
293.6884 92.03905
294.1706 91.18307
294.6527 90.40529
295.1348 89.73283
295.6169 89.26377
296.0990 89.13774
296.5811 89.10569
297.0633 88.99715
297.5454 88.79736
298.0275 88.52973
298.5096 88.22870
298.9917 87.88886
299.4738 87.45768
299.9560 87.07018
300.4381 86.48627
300.9202 85.49157
301.4023 84.14444
301.8844 82.70674
302.3665 81.28072
302.8487 79.85918
303.3308 78.41730
303.8129 76.89668
304.2950 75.45052
304.7771 74.33047
305.2592 73.34433
305.7414 71.98671
306.2235 70.03623
306.7056 67.67415
307.1877 65.21841
307.6698 62.65951
308.1519 60.12775
308.6341 57.60238
309.1162 55.13062
309.5983 52.85373
310.0804 50.83896
310.5625 48.93205
311.0446 46.92948
311.5268 44.81428
312.0089 42.82539
312.4910 41.03165
312.9731 39.37948
313.4552 37.79533
313.9373 36.27460
314.4195 34.83868
314.9016 33.55363
315.3837 32.39214
315.8658 31.08041
316.3479 29.36559
316.8300 27.66080
317.3121 26.34737
317.7943 25.40796
318.2764 24.54175
318.7585 23.54535
319.2406 22.46799
319.7227 21.51402
320.2048 20.73246
320.6870 20.01090
321.1691 19.22216
321.6512 18.43125
322.1333 17.89893
322.6154 17.84933
323.0975 18.01099
323.5797 17.65621
324.0618 16.51153
324.5439 15.53682
325.0260 15.18884
325.5081 15.22048
325.9902 15.18556
326.4724 14.95349
326.9545 14.57299
327.4366 14.04334
327.9187 13.30122
328.4008 12.83042
328.8829 12.88631
329.3651 13.13575
329.8472 13.25364
330.3293 13.21032
330.8114 13.07687
331.2935 12.84704
331.7756 12.48657
332.2578 12.29646
332.7399 12.49535
333.2220 12.76108
333.7041 12.83213
334.1862 12.68745
334.6683 12.45408
335.1505 12.22022
335.6326 12.00707
336.1147 11.86414
336.5968 11.81369
337.0789 11.79865
337.5610 11.79893
338.0432 11.79717
338.5253 11.77969
339.0074 11.75145
339.4895 11.72440
339.9716 11.69294
340.4537 11.61741
340.9359 11.52333
341.4180 11.46527
341.9001 11.42709
342.3822 11.34031
342.8643 11.16229
343.3464 10.94838
343.8286 10.80323
344.3107 10.78690
344.7928 10.71284
345.2749 10.52827
345.7570 10.32574
346.2391 10.21085
346.7213 10.17062
347.2034 10.03687
347.6855 9.626686
348.1676 8.917091
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349.1318 8.371574
349.6140 8.337440
350.0961 8.191727
350.5782 7.970833
351.0603 7.785179
351.5424 7.704025
352.0245 7.697350
352.5067 7.635460
352.9888 7.481491
353.4709 7.318085
353.9530 7.113167
354.4351 6.919823
354.9172 6.795166
355.3994 6.759872
355.8815 6.802727
356.3636 6.912292
356.8457 7.148720
357.3278 7.328072
357.8099 7.524628
358.2920 7.615685
358.7741 7.463608
359.2563 7.091881
359.7384 6.658905
360.2205 6.295090
360.7026 5.983299
361.1847 5.928703
361.6668 6.340652
362.1490 6.846527
362.6311 7.357170
363.1132 7.825706
363.5953 8.197830
364.0774 8.438293
364.5595 8.576424
365.0417 8.745514
365.5238 8.936096
366.0059 9.244461
366.4880 9.790886
366.9701 10.39732
367.4522 10.88805
367.9344 11.21372
368.4165 11.51437
368.8986 12.08667
369.3807 13.22620
369.8628 13.73905
370.3449 13.17725
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371.3092 11.64369
371.7913 11.05640
372.2734 10.45449
372.7555 9.734131
373.2376 8.898232
373.7198 7.964844
374.2019 6.671486
374.6840 5.606651
375.1661 5.057304
375.6482 4.827461
376.1303 4.617432
376.6125 4.281921
377.0946 3.888039
377.5767 3.583160
378.0588 3.409416
378.5409 3.204048
379.0230 2.882515
379.5052 2.537476
379.9873 2.237198
380.4694 1.995148
380.9515 1.785042
381.4336 1.579086
381.9157 1.377380
382.3979 1.206467
382.8800 1.077171
383.3621 0.9731140
383.8442 0.9034880
384.3263 0.8515320
384.8084 0.7611540
385.2906 0.5056000
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386.2548 0.2136230
386.7369 0.6432270
387.2190 0.9605790
387.7011 0.6963350
388.1833 0.1717760
388.6654 0.1463090
389.1475 7.6018997E-02
389.6296 4.4464000E-02
390.1117 0.1502150
390.5938 0.6065520
391.0760 0.8864060
391.5581 0.7685620
392.0402 0.5069890
392.5223 0.4576870
393.0044 0.6281200
393.4865 0.8281710
393.9687 1.043671
394.4508 1.223915
394.9329 1.259361
395.4150 1.120789
395.8971 0.9697270
396.3792 0.9930880
396.8614 1.156754
397.3435 1.105751
397.8256 0.5717770
398.3077 3.7300002E-02
398.7898 8.4868997E-02
399.2719 8.6783998E-02
399.7540 8.3480999E-02
400.2361 0.3618620
400.7183 1.079926
401.2004 1.578163
401.6825 1.862228
402.1646 1.964668
402.6467 1.586197
403.1288 1.167900
403.6110 1.253029
404.0931 1.951912
404.5752 2.966202
405.0573 3.988945
405.5394 5.053352
406.0215 5.886620
406.5037 6.401108
406.9858 6.797836
407.4679 7.155319
407.9500 7.479256
408.4321 7.746811
408.9142 7.942780
409.3964 8.091507
409.8785 8.323227
410.3606 9.037430
410.8427 9.285255
411.3248 8.702095
411.8069 7.785378
412.2891 6.991394
412.7712 6.444550
413.2533 5.990730
413.7354 5.445595
414.2175 4.816147
414.6996 4.060555
415.1818 2.875069
415.6639 1.848900
416.1460 1.286392
416.6281 1.074928
417.1102 0.9426800
417.5923 0.7666090
418.0745 0.4969250
418.5566 0.1075210
419.0387 1.303108
419.5208 2.249443
420.0029 2.596443
420.4850 2.644333
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