#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:59:04 +0300 (Thu, 24 May 2018) $
#$Revision: 840 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000327.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_1000327
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
'Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil'
_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 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            R120127.rod
_rod_data_source.block           3500000
_rod_database.code               1000327
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
197.8379 0.0000000E+00
198.3200 6.2286001E-02
198.8021 0.2686770
199.2842 1.498016
199.7664 3.760345
200.2485 5.484192
200.7306 6.191864
201.2127 6.067932
201.6948 6.272339
202.1769 6.937042
202.6591 7.843567
203.1412 8.826569
203.6233 9.983643
204.1054 10.58444
204.5875 10.03912
205.0696 8.690948
205.5518 8.740814
206.0339 10.40726
206.5160 12.52869
206.9981 14.24619
207.4802 15.88757
207.9623 16.32739
208.4445 16.18024
208.9266 16.36047
209.4087 16.32071
209.8908 15.67450
210.3729 14.35944
210.8550 12.89432
211.3372 12.53735
211.8193 12.33963
212.3014 11.29245
212.7835 9.006744
213.2656 7.183228
213.7477 5.876984
214.2299 4.976166
214.7120 4.251038
215.1941 3.766235
215.6762 3.233398
216.1583 2.457092
216.6404 1.392029
217.1226 0.9991760
217.6047 1.642975
218.0868 2.517731
218.5689 2.604370
219.0510 1.569366
219.5331 0.5359190
220.0153 0.2319640
220.4974 0.7146910
220.9795 1.140930
221.4616 1.574341
221.9437 1.875916
222.4258 1.797699
222.9080 1.042389
223.3901 0.5375370
223.8722 0.5864870
224.3543 1.253937
224.8364 1.909790
225.3185 2.680389
225.8007 3.331482
226.2828 3.536530
226.7649 3.111328
227.2470 2.634796
227.7291 2.317657
228.2112 2.217834
228.6934 1.838715
229.1755 1.117371
229.6576 0.1831970
230.1397 0.8174740
230.6218 2.029694
231.1039 3.072235
231.5861 3.807434
232.0682 4.204803
232.5503 4.625732
233.0324 4.968903
233.5145 5.435120
233.9966 6.270691
234.4788 7.454681
234.9609 9.073364
235.4430 11.36664
235.9251 14.55356
236.4072 16.83206
236.8893 17.71390
237.3715 18.09097
237.8536 19.06610
238.3357 20.90302
238.8178 22.88715
239.2999 24.95609
239.7820 27.16663
240.2642 28.81351
240.7463 29.54626
241.2284 29.99051
241.7105 30.95142
242.1926 32.78149
242.6747 34.46506
243.1569 35.73160
243.6390 36.54202
244.1211 37.26169
244.6032 37.93329
245.0853 38.48251
245.5674 38.78308
246.0496 38.61841
246.5317 38.62866
247.0138 39.06219
247.4959 39.99634
247.9780 40.54092
248.4601 40.56931
248.9423 40.36087
249.4244 40.22278
249.9065 40.23227
250.3886 40.17703
250.8707 39.93661
251.3528 39.49377
251.8350 39.44272
252.3171 40.02945
252.7992 40.74026
253.2813 41.01355
253.7634 40.60257
254.2455 40.26697
254.7277 40.14062
255.2098 40.21893
255.6919 40.47830
256.1740 40.93863
256.6561 41.41452
257.1382 41.64554
257.6204 41.33316
258.1025 41.51486
258.5846 42.58228
259.0667 44.47443
259.5488 45.77499
260.0309 46.26654
260.5131 46.45966
260.9952 46.71332
261.4773 46.90048
261.9594 47.55307
262.4415 48.92850
262.9236 50.93924
263.4058 52.45361
263.8879 53.19531
264.3700 53.94290
264.8521 55.41626
265.3342 57.86383
265.8163 60.13391
266.2985 61.90027
266.7806 63.31543
267.2627 65.36307
267.7448 68.15384
268.2269 71.31458
268.7090 74.64981
269.1912 78.27576
269.6733 81.63895
270.1554 84.51898
270.6375 87.11694
271.1196 90.19327
271.6017 93.84454
272.0839 97.70242
272.5660 101.4175
273.0481 104.9617
273.5302 108.6823
274.0123 112.6170
274.4944 116.7545
274.9766 121.1531
275.4587 125.8169
275.9408 130.9492
276.4229 136.7776
276.9050 143.4001
277.3871 149.3559
277.8693 154.4497
278.3514 158.9656
278.8335 163.2668
279.3156 167.2733
279.7977 171.7900
280.2798 177.7855
280.7620 185.2661
281.2441 191.3733
281.7262 195.6047
282.2083 198.9286
282.6904 203.1080
283.1725 208.1799
283.6547 213.3544
284.1368 218.3597
284.6189 223.1899
285.1010 227.8755
285.5831 232.4036
286.0652 236.7593
286.5474 240.9719
287.0295 245.0449
287.5116 248.8722
287.9937 252.1027
288.4758 254.9592
288.9579 258.6276
289.4401 263.2285
289.9222 268.1818
290.4043 273.1217
290.8864 277.9644
291.3685 281.9994
291.8506 284.4731
292.3328 285.9832
292.8149 288.2142
293.2970 291.2025
293.7791 294.5309
294.2612 297.8521
294.7433 301.1603
295.2255 304.3980
295.7076 307.5509
296.1897 310.5994
296.6718 313.6597
297.1539 316.7068
297.6360 319.0897
298.1182 319.7557
298.6003 319.2932
299.0824 319.2366
299.5645 320.2888
300.0466 321.6223
300.5287 322.1637
301.0109 321.9482
301.4930 321.1966
301.9751 319.8164
302.4572 318.0570
302.9393 316.4709
303.4214 315.4215
303.9036 314.0925
304.3857 311.6024
304.8678 308.0962
305.3499 304.0033
305.8320 299.2831
306.3141 294.2735
306.7963 289.6292
307.2784 285.6787
307.7605 281.2695
308.2426 274.9809
308.7247 267.4317
309.2068 260.1136
309.6890 254.2887
310.1711 248.7065
310.6532 242.3048
311.1353 234.8777
311.6174 227.1593
312.0995 219.1817
312.5817 211.3730
313.0638 204.3089
313.5459 198.7467
314.0280 193.5356
314.5101 187.9869
314.9922 182.0721
315.4744 176.0605
315.9565 169.7843
316.4386 163.6057
316.9207 158.0449
317.4028 153.9220
317.8849 149.8640
318.3671 145.1570
318.8492 139.8374
319.3313 134.9716
319.8134 130.7216
320.2955 127.2195
320.7776 124.5990
321.2598 123.3280
321.7419 122.4547
322.2240 121.7492
322.7061 121.2341
323.1882 121.0719
323.6703 120.8712
324.1525 121.3196
324.6346 122.8310
325.1167 126.3189
325.5988 129.6481
326.0809 132.4608
326.5630 134.9839
327.0452 137.8165
327.5273 140.6259
328.0094 144.0214
328.4915 148.3010
328.9736 153.8748
329.4557 159.3215
329.9379 164.7062
330.4200 169.9938
330.9021 174.9645
331.3842 178.7594
331.8663 183.3744
332.3484 189.7950
332.8306 198.4415
333.3127 205.6209
333.7948 210.7181
334.2769 214.7993
334.7590 219.0536
335.2411 223.7459
335.7233 228.2894
336.2054 232.6040
336.6875 236.7087
337.1696 240.4331
337.6517 243.9728
338.1339 246.6848
338.6160 247.9940
339.0981 247.8063
339.5802 246.8418
340.0623 245.1011
340.5444 242.6408
341.0266 240.0491
341.5087 237.4479
341.9908 233.9045
342.4729 228.5318
342.9550 221.3851
343.4371 214.0268
343.9193 206.5473
344.4014 199.0782
344.8835 192.1631
345.3656 185.8005
345.8477 179.3286
346.3298 172.5436
346.8120 165.3714
347.2941 157.5823
347.7762 148.9578
348.2583 140.5008
348.7404 133.5250
349.2225 127.7729
349.7047 122.1392
350.1868 116.1192
350.6689 110.0216
351.1510 104.2812
351.6331 98.91537
352.1152 93.76053
352.5974 88.58389
353.0795 83.53571
353.5616 78.92770
354.0437 75.02386
354.5258 71.38696
355.0079 67.54962
355.4901 63.56223
355.9722 59.56491
356.4543 55.43723
356.9364 51.45395
357.4185 47.81961
357.9006 44.56198
358.3828 41.71973
358.8649 39.56766
359.3470 37.81903
359.8291 35.87152
360.3112 33.16599
360.7933 30.41074
361.2755 28.00958
361.7576 26.03632
362.2397 24.13409
362.7218 21.98459
363.2039 19.88986
363.6860 18.19019
364.1682 17.52338
364.6503 16.70712
365.1324 15.26361
365.6145 13.21030
366.0966 11.42899
366.5787 10.12646
367.0609 9.083862
367.5430 8.170929
368.0251 7.770569
368.5072 7.030090
368.9893 5.661499
369.4714 3.890472
369.9536 2.496552
370.4357 1.567230
370.9178 0.9151000
371.3999 0.5451970
371.8820 0.6954350
372.3641 0.4146420
372.8463 0.8779300
373.3284 2.217468
373.8105 1.790405
374.2926 1.716339
374.7747 3.951782
375.2568 3.083038
375.7390 0.9440920
376.2211 2.616211
376.7032 1.194244
377.1853 0.9693910
377.6674 1.517944
378.1495 0.2535100
378.6317 0.9255070
379.1138 1.698181
379.5959 2.129333
380.0780 2.413666
380.5601 2.530426
381.0422 2.629791
381.5244 2.855774
382.0065 3.178711
382.4886 3.344635
382.9707 3.288757
383.4528 3.174713
383.9349 3.326630
384.4171 3.686371
384.8992 3.918488
385.3813 3.825256
385.8634 3.509247
386.3455 3.093964
386.8276 2.590393
387.3098 2.194427
387.7919 2.217560
388.2740 2.447754
388.7561 2.506409
389.2382 2.103699
389.7203 1.680359
390.2025 1.771606
390.6846 2.230988
391.1667 2.393738
391.6488 1.408051
392.1309 0.2233580
392.6130 0.3232120
393.0952 0.1516720
393.5773 0.7580870
394.0594 1.312012
394.5415 1.740997
395.0236 1.882019
395.5057 1.354340
395.9879 0.8019100
396.4700 0.5411990
396.9521 0.6636050
397.4342 0.5955810
397.9163 0.2017210
398.3984 0.3925780
398.8806 1.081635
399.3627 2.291046
399.8448 3.111938
400.3269 3.211304
400.8090 2.707397
401.2911 2.596954
401.7733 3.177643
402.2554 3.814026
402.7375 4.143921
403.2196 3.960968
403.7017 3.994965
404.1838 4.340393
404.6660 4.837891
405.1481 5.192780
405.6302 5.371704
406.1123 5.608429
406.5944 5.949554
407.0765 6.382141
407.5587 6.611877
408.0408 6.597351
408.5229 6.718323
409.0050 7.449158
409.4871 8.731293
409.9692 9.890961
410.4514 10.88544
410.9335 11.63937
411.4156 11.84457
411.8977 11.53954
412.3798 11.28380
412.8619 11.46629
413.3441 11.95712
413.8262 12.55916
414.3083 13.28065
414.7904 13.93082
415.2725 14.27122
415.7546 14.41812
416.2368 14.56088
416.7189 14.86101
417.2010 15.11809
417.6831 15.15152
418.1652 14.99240
418.6473 14.85580
419.1295 14.75264
419.6116 14.77464
420.0937 15.00005
420.5758 15.51978
421.0579 16.15269
421.5400 17.09061
422.0222 18.11687
422.5043 18.69669
422.9864 17.96762
423.4685 17.40820
423.9506 17.73590
424.4327 19.43977
424.9149 20.55385
425.3970 20.85191
425.8791 20.64217
426.3612 20.18140
426.8433 19.17897
427.3254 18.39598
427.8076 17.99564
428.2897 17.91937
428.7718 17.78532
429.2539 17.51788
429.7360 17.34308
430.2181 17.41241
430.7003 17.73662
431.1824 18.16663
431.6645 18.85147
432.1466 19.50990
432.6287 19.45042
433.1108 18.66174
433.5930 17.97379
434.0751 17.70067
434.5572 17.83377
435.0393 18.09021
435.5214 18.45340
436.0035 18.78986
436.4857 18.98215
436.9678 19.03395
437.4499 18.91759
437.9320 18.50356
438.4141 18.17989
438.8962 18.57436
439.3784 19.43446
439.8605 20.03249
440.3426 19.54004
440.8247 18.91624
441.3068 19.20911
441.7889 20.59712
442.2711 21.45705
442.7532 20.34744
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444.1995 18.31467
444.6816 18.97855
445.1638 18.48148
445.6459 17.15941
446.1280 16.64505
446.6101 18.17883
447.0922 19.78673
447.5743 20.58391
448.0565 20.19554
448.5386 19.79543
449.0207 19.62173
449.5028 19.39017
449.9849 18.50946
450.4670 16.27655
450.9492 14.83136
451.4313 14.96960
451.9134 16.38350
452.3955 16.75873
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453.3597 14.75226
453.8419 13.67297
454.3240 12.68394
454.8061 12.00386
455.2882 11.77081
455.7703 11.61955
456.2524 10.83786
456.7346 9.529282
457.2167 8.469437
457.6988 8.154755
458.1809 8.159103
458.6630 7.703430
459.1451 6.810654
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461.5557 3.690598
462.0378 3.309937
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463.0021 0.9640350
463.4842 9.0636998E-02
463.9663 0.4808810
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469.2696 3.133118
469.7517 3.163788
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470.7159 2.776047
471.1981 2.368042
471.6802 1.784866
472.1623 1.541092
472.6444 1.780884
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473.6086 1.529282
474.0908 0.4085850
474.5729 0.3975370
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479.3940 1.459244
479.8762 2.016144
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480.8404 3.991165
481.3225 5.020309
481.8046 6.036163
482.2867 7.038361
482.7689 8.022720
483.2510 8.983017
483.7331 9.756561
484.2152 10.65398
484.6973 11.84570
485.1794 13.41217
485.6616 14.96184
486.1437 16.25412
486.6258 17.64746
487.1079 19.46140
487.5900 22.04007
488.0721 24.41629
488.5543 26.25961
489.0364 27.91701
489.5185 30.41066
490.0006 33.84695
490.4827 37.67487
490.9648 41.55846
491.4470 45.53375
491.9291 50.13081
492.4112 55.39191
492.8933 60.97073
493.3754 66.44339
493.8575 71.91620
494.3397 77.74011
494.8218 83.86624
495.3039 90.51343
495.7860 97.76511
496.2681 105.6767
496.7502 114.3947
497.2324 124.5702
497.7145 135.3388
498.1966 145.5840
498.6787 155.3356
499.1608 166.1177
499.6429 179.2815
500.1251 193.6087
500.6072 208.3744
501.0893 223.1101
501.5714 238.4079
502.0535 254.6287
502.5356 271.5745
503.0178 288.8754
503.4999 306.7538
503.9820 325.0422
504.4641 343.4378
504.9462 361.9030
505.4283 381.5964
505.9105 403.1785
506.3926 424.7668
506.8747 444.6632
507.3568 462.4100
507.8389 481.5039
508.3210 502.5160
508.8032 523.9205
509.2853 543.3874
509.7674 560.9001
510.2495 575.9329
510.7316 587.9507
511.2137 597.5997
511.6959 607.1607
512.1780 616.3234
512.6601 622.3087
513.1422 622.4261
513.6243 618.3907
514.1064 612.2437
514.5886 604.2422
515.0707 594.4903
515.5528 582.6140
516.0349 569.2066
516.5170 554.9279
516.9991 539.7800
517.4813 524.0323
517.9634 507.5476
518.4455 490.4341
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1301.403 8.4699999E-04
1301.885 0.0000000E+00
