#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:55 +0300 (Thu, 24 May 2018) $
#$Revision: 728 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000233.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_1000233
loop_
_publ_author_name
'Ballirano, P.'
'Bosi, F.'
_publ_section_title
;
 Thermal behavior of afghanite, an ABABACAC member of the cancrinite group
;
_journal_name_full               'American Mineralogist'
_journal_page_first              630
_journal_page_last               640
_journal_paper_doi               10.2138/am.2012.3898
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Case Collina, Latium, Italy'
_chemical_formula_sum            'Al12 Ca5.515 Cl3 K2.505 Na7.5 O60 S3 Si12'
_chemical_name_mineral           Afghanite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.7961
_cell_length_b                   12.7961
_cell_length_c                   21.4094
_cell_volume                     3035.920
_exptl_crystal_density_diffrn    2.532
_cod_original_cell_volume        3035.921
_cod_original_formula_sum        'Na7.5 K2.505 Ca5.515 Si12 Al12 O60 S3 Cl3'
_cod_database_code               9016533
_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            R060422.rod
_rod_data_source.block           3500000
_rod_database.code               1000233
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 9016533 COD http://www.crystallography.net/cod/9016533.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
175.4057 0.0000000E+00
175.8878 3.1036001E-02
176.3699 1.0803000E-02
176.8520 0.4688420
177.3341 1.225372
177.8163 2.048584
178.2984 2.865540
178.7805 3.632599
179.2626 4.437775
179.7447 5.308411
180.2268 5.767914
180.7090 4.890991
181.1911 3.102020
181.6732 1.744354
182.1553 1.620758
182.6374 2.331390
183.1195 3.071228
183.6017 3.800537
184.0838 4.602753
184.5659 5.593994
185.0480 6.745026
185.5301 7.958893
186.0123 9.059937
186.4944 10.17123
186.9765 11.84961
187.4586 14.30450
187.9407 16.73312
188.4228 17.69067
188.9050 17.31857
189.3871 17.18799
189.8692 18.35239
190.3513 20.47784
190.8334 21.95184
191.3155 22.54309
191.7977 22.78082
192.2798 23.72049
192.7619 25.36481
193.2440 26.54092
193.7261 26.32016
194.2082 24.86646
194.6904 24.02213
195.1725 24.00723
195.6546 24.53772
196.1367 25.25400
196.6188 26.21445
197.1009 27.15311
197.5831 27.92276
198.0652 28.42786
198.5473 28.47760
199.0294 28.16751
199.5115 28.16916
199.9937 28.45154
200.4758 29.26874
200.9579 30.08960
201.4400 30.52429
201.9221 30.55569
202.4042 30.87619
202.8864 31.43231
203.3685 31.94272
203.8506 32.22284
204.3327 32.50006
204.8148 32.61847
205.2969 33.10092
205.7791 34.38251
206.2612 34.52469
206.7433 33.58896
207.2254 31.86636
207.7075 29.67593
208.1896 26.73596
208.6718 24.16592
209.1539 22.62048
209.6360 22.28549
210.1181 21.88791
210.6002 21.41568
211.0823 20.89041
211.5645 20.35468
212.0466 19.87738
212.5287 19.23813
213.0108 18.32629
213.4929 17.12512
213.9750 15.66180
214.4572 13.69339
214.9393 11.56659
215.4214 10.34891
215.9035 10.40527
216.3856 10.61322
216.8678 10.38657
217.3499 9.630341
217.8320 8.668243
218.3141 7.307037
218.7962 5.800659
219.2783 5.044342
219.7605 5.337952
220.2426 5.828369
220.7247 6.203003
221.2068 6.756226
221.6889 6.241394
222.1710 4.056702
222.6532 0.9013370
223.1353 0.8996580
223.6174 0.8273010
224.0995 0.2923890
224.5816 2.7679000E-02
225.0637 6.8145998E-02
225.5459 7.0923001E-02
226.0280 2.3468001E-02
226.5101 4.9438000E-02
226.9922 3.9886001E-02
227.4743 0.1947020
227.9564 0.2882390
228.4386 1.6510000E-02
228.9207 0.8301390
229.4028 1.540619
229.8849 2.181091
230.3670 2.668549
230.8492 2.734955
231.3313 2.124695
231.8134 1.483643
232.2955 1.115417
232.7776 1.188538
233.2597 0.8726200
233.7419 0.1708980
234.2240 0.6571040
234.7061 0.8116460
235.1882 0.3237610
235.6703 1.194916
236.1524 1.113464
236.6346 0.2835690
237.1167 1.866058
237.5988 3.821594
238.0809 5.898346
238.5630 7.513947
239.0451 8.469391
239.5273 9.256744
240.0094 10.09961
240.4915 11.18240
240.9736 11.72855
241.4557 11.34894
241.9378 10.59967
242.4200 10.65314
242.9021 11.78549
243.3842 13.30905
243.8663 15.03467
244.3484 17.11523
244.8306 18.92651
245.3127 20.49533
245.7948 21.75281
246.2769 22.43481
246.7590 21.96399
247.2411 21.93149
247.7233 22.96008
248.2054 25.35858
248.6875 27.69727
249.1696 30.16101
249.6517 32.45605
250.1338 34.02780
250.6160 34.54245
251.0981 34.90234
251.5802 35.36243
252.0623 35.93195
252.5444 36.55179
253.0265 37.08255
253.5087 37.76602
253.9908 38.98788
254.4729 41.00888
254.9550 43.07855
255.4371 45.10992
255.9192 47.16083
256.4014 48.53516
256.8835 48.92795
257.3656 48.93130
257.8477 49.25635
258.3298 49.96661
258.8120 50.97620
259.2941 52.47595
259.7762 54.61603
260.2583 55.32828
260.7404 54.00580
261.2225 52.01740
261.7047 50.81088
262.1868 50.65274
262.6689 50.56085
263.1510 50.28552
263.6331 49.84164
264.1152 49.79251
264.5974 50.46271
265.0795 51.01389
265.5616 50.55905
266.0437 48.80444
266.5258 46.95364
267.0079 45.06067
267.4901 43.20398
267.9722 42.28253
268.4543 42.67142
268.9364 43.24753
269.4185 43.05954
269.9006 41.94070
270.3828 40.78265
270.8649 39.61877
271.3470 38.51721
271.8291 37.84863
272.3112 37.73596
272.7933 37.68369
273.2755 37.32159
273.7576 36.60501
274.2397 35.87466
274.7218 35.15881
275.2039 34.44937
275.6860 33.78006
276.1682 33.18692
276.6503 32.45316
277.1324 31.32846
277.6145 29.78125
278.0966 28.59933
278.5787 27.88361
279.0609 27.54016
279.5430 27.39920
280.0251 27.48438
280.5072 27.55679
280.9893 27.67953
281.4715 27.95035
281.9536 27.12341
282.4357 24.61087
282.9178 21.95993
283.3999 22.72952
283.8820 27.17404
284.3642 30.28241
284.8463 28.66452
285.3284 22.85828
285.8105 19.34650
286.2926 18.45255
286.7747 18.70914
287.2569 18.25854
287.7390 17.12833
288.2211 16.06494
288.7032 15.55048
289.1853 15.43896
289.6674 14.88785
290.1496 13.85776
290.6317 12.52228
291.1138 10.88223
291.5959 9.057800
292.0780 7.750977
292.5602 7.373688
293.0423 7.493469
293.5244 7.147858
294.0065 6.387360
294.4886 5.577942
294.9707 4.965729
295.4529 4.467957
295.9350 3.773804
296.4171 2.548431
296.8992 1.311066
297.3813 1.097809
297.8634 1.850403
298.3456 2.890747
298.8277 4.167389
299.3098 5.329102
299.7919 5.436859
300.2740 3.930420
300.7561 1.960175
301.2383 0.7182920
301.7204 0.2189330
302.2025 0.6206670
302.6846 3.240051
303.1667 6.460907
303.6488 7.552032
304.1310 5.523651
304.6131 3.101166
305.0952 3.540375
305.5773 5.850708
306.0594 7.347900
306.5415 5.701782
307.0237 2.985748
307.5058 1.452637
307.9879 1.440491
308.4700 1.769287
308.9521 1.534332
309.4343 1.024017
309.9164 0.7448430
310.3985 1.186127
310.8806 1.753357
311.3627 2.010712
311.8448 1.941223
312.3270 1.704376
312.8091 1.194946
313.2912 0.6587520
313.7733 0.4112850
314.2554 0.8569640
314.7375 1.216858
315.2197 0.5599980
315.7018 0.8389280
316.1839 1.068237
316.6660 1.794403
317.1481 5.642212
317.6302 8.715057
318.1124 10.47098
318.5945 11.66840
319.0766 12.72852
319.5587 13.45102
320.0408 13.24628
320.5229 10.94785
321.0051 8.350769
321.4872 6.379211
321.9693 5.082184
322.4514 4.735107
322.9335 5.858215
323.4156 7.886322
323.8978 9.853180
324.3799 11.62292
324.8620 13.28610
325.3441 14.95709
325.8262 16.79666
326.3083 18.12082
326.7905 18.59250
327.2726 18.58334
327.7547 18.65448
328.2368 18.73792
328.7189 19.09567
329.2010 19.91275
329.6832 21.24432
330.1653 22.29590
330.6474 23.32996
331.1295 23.89120
331.6116 23.49240
332.0938 20.62949
332.5759 19.27609
333.0580 20.76944
333.5401 24.54413
334.0222 26.12659
334.5043 24.40567
334.9865 22.03751
335.4686 20.58942
335.9507 20.36176
336.4328 20.26257
336.9149 20.31421
337.3970 20.45316
337.8792 20.44565
338.3613 20.14890
338.8434 19.72629
339.3255 19.28882
339.8076 18.84409
340.2898 18.31750
340.7719 17.63150
341.2540 17.00446
341.7361 16.92636
342.2182 17.49411
342.7003 17.66553
343.1825 16.87985
343.6646 15.32568
344.1467 14.35019
344.6288 14.02313
345.1109 13.88525
345.5930 13.33890
346.0752 12.45734
346.5573 12.04547
347.0394 12.53979
347.5215 13.40280
348.0036 13.36530
348.4857 12.43854
348.9679 11.36298
349.4500 10.62433
349.9321 10.16110
350.4142 9.839813
350.8963 9.708557
351.3784 9.541809
351.8606 8.776123
352.3427 7.637238
352.8248 6.958801
353.3069 7.887695
353.7890 9.300110
354.2711 9.375702
354.7533 7.809265
355.2354 6.443298
355.7175 7.384064
356.1996 9.561554
356.6817 11.10287
357.1638 10.83960
357.6460 9.908630
358.1281 9.107391
358.6102 8.425964
359.0923 7.637695
359.5744 6.269653
360.0565 4.904694
360.5387 4.137512
361.0208 4.507202
361.5029 5.003082
361.9850 5.237183
362.4671 5.243683
362.9492 5.130829
363.4314 4.886993
363.9135 4.577911
364.3956 4.191162
364.8777 3.607697
365.3598 3.225861
365.8419 3.429657
366.3241 3.839752
366.8062 3.872253
367.2883 3.099060
367.7704 2.272766
368.2526 1.576050
368.7347 1.021118
369.2168 0.5541690
369.6989 0.2917790
370.1810 3.4485001E-02
370.6631 0.4136050
371.1453 1.552155
371.6274 2.113770
372.1095 1.650085
372.5916 0.3755800
373.0737 0.2097470
373.5558 0.2763060
374.0380 0.9287720
374.5201 1.139343
375.0022 0.7485050
375.4843 0.6914060
375.9664 1.175385
376.4485 1.864899
376.9307 2.067291
377.4128 1.704559
377.8949 1.198578
378.3770 0.6406250
378.8591 5.5023000E-02
379.3412 0.1292110
379.8234 0.2161560
380.3055 0.5114750
380.7876 0.1331790
381.2697 1.656616
381.7518 2.711578
382.2339 2.910217
382.7161 2.441528
383.1982 1.423676
383.6803 0.1042790
384.1624 1.187805
384.6445 0.6481320
385.1266 0.8739010
385.6088 1.685242
386.0909 1.361145
386.5730 0.8167720
387.0551 1.063049
387.5372 1.943665
388.0193 3.029327
388.5015 4.639709
388.9836 6.036407
389.4657 6.214966
389.9478 5.088959
390.4299 3.847809
390.9120 2.988983
391.3942 2.579773
391.8763 2.726959
392.3584 4.520081
392.8405 5.868530
393.3226 5.356995
393.8047 3.351929
394.2869 1.527374
394.7690 0.2353520
395.2511 1.089478
395.7332 0.2587890
396.2154 3.603271
396.6975 6.572571
397.1796 7.432190
397.6617 6.970825
398.1438 6.544769
398.6259 6.233734
399.1081 6.074951
399.5902 6.028046
400.0723 6.049469
400.5544 6.480774
401.0365 7.845306
401.5186 9.224792
402.0008 9.789764
402.4829 8.904968
402.9650 8.406158
403.4471 8.535583
403.9292 9.200958
404.4113 10.08917
404.8935 11.40857
405.3756 12.49188
405.8577 12.90372
406.3398 12.52908
406.8219 12.25836
407.3040 12.01559
407.7862 12.05655
408.2683 12.99896
408.7504 14.88580
409.2325 16.39334
409.7146 16.72922
410.1967 16.42270
410.6789 17.44260
411.1610 19.83707
411.6431 22.60471
412.1252 25.37827
412.6073 27.85950
413.0894 28.87827
413.5716 27.64514
414.0537 26.09286
414.5358 26.68759
415.0179 28.96823
415.5000 31.47452
415.9821 33.74036
416.4643 35.60635
416.9464 36.60684
417.4285 36.61578
417.9106 36.96164
418.3927 38.69821
418.8748 41.19586
419.3570 43.66461
419.8391 46.02167
420.3212 48.14426
420.8033 49.81708
421.2854 51.16245
421.7675 52.78662
422.2497 55.08698
422.7318 57.56851
423.2139 59.97427
423.6960 62.30707
424.1781 64.51328
424.6602 66.64624
425.1424 68.62650
425.6245 70.28998
426.1066 71.05847
426.5887 72.24139
427.0709 74.48236
427.5530 77.77832
428.0351 79.49542
428.5172 78.64844
428.9993 77.56860
429.4814 78.16803
429.9636 81.12537
430.4457 83.39536
430.9278 84.31952
431.4099 84.58371
431.8920 85.81985
432.3741 88.21918
432.8563 90.98672
433.3384 93.69623
433.8205 96.39725
434.3026 99.62201
434.7847 103.4485
435.2668 107.5026
435.7490 111.5209
436.2311 115.5078
436.7132 119.2162
437.1953 122.4217
437.6774 125.5282
438.1595 129.1504
438.6417 133.2154
439.1238 137.2595
439.6059 140.9909
440.0880 144.6400
440.5701 148.4816
441.0522 152.5997
441.5344 156.7090
442.0165 160.5686
442.4986 164.3340
442.9807 168.0531
443.4628 171.4928
443.9449 175.1348
444.4271 179.4157
444.9092 184.1595
445.3913 188.4586
445.8734 191.3569
446.3555 194.2773
446.8376 197.8750
447.3198 202.2833
447.8019 207.2598
448.2840 213.8364
448.7661 220.4843
449.2482 224.9470
449.7303 225.8770
450.2125 226.8739
450.6946 228.9140
451.1767 231.8726
451.6588 233.8038
452.1409 234.7906
452.6230 234.5820
453.1052 232.6382
453.5873 228.8947
454.0694 225.8186
454.5515 223.9088
455.0337 221.9761
455.5158 217.5015
455.9979 210.6602
456.4800 204.6300
456.9621 201.4238
457.4442 199.7250
457.9264 196.3802
458.4085 191.4487
458.8906 185.9666
459.3727 180.6209
459.8548 175.3553
460.3369 170.1948
460.8191 165.1264
461.3012 160.0881
461.7833 155.0636
462.2654 150.0244
462.7475 144.9272
463.2296 139.5421
463.7118 134.2042
464.1939 129.2549
464.6760 124.6784
465.1581 119.6859
465.6402 113.4992
466.1223 107.1471
466.6045 101.4261
467.0866 97.05441
467.5687 92.55817
468.0508 87.49451
468.5329 82.25607
469.0150 77.73053
469.4972 74.70593
469.9793 71.24292
470.4614 66.38361
470.9435 59.97437
471.4256 55.53040
471.9077 53.68915
472.3899 52.55734
472.8720 50.38068
473.3541 47.01874
473.8362 44.14578
474.3183 42.14236
474.8004 40.47275
475.2826 37.95697
475.7647 34.65808
476.2468 31.49188
476.7289 28.89536
477.2110 26.75327
477.6931 24.85080
478.1753 23.17468
478.6574 21.77225
479.1395 21.13837
479.6216 20.67471
480.1037 19.40643
480.5858 16.65930
481.0680 13.84717
481.5501 11.98697
482.0322 10.77328
482.5143 9.582214
482.9964 8.062073
483.4786 6.612305
483.9607 5.498962
484.4428 4.778320
484.9249 3.904205
485.4070 2.556915
485.8892 1.165375
486.3713 3.5431001E-02
486.8534 0.7030330
487.3355 1.384399
487.8176 2.297668
488.2997 3.068237
488.7819 2.723877
489.2640 0.5588070
489.7461 1.102173
490.2282 1.321594
490.7103 0.2070920
491.1924 0.3915410
491.6746 0.4077450
492.1567 0.2109990
492.6388 3.1311002E-02
493.1209 0.2753600
493.6030 6.2896997E-02
494.0851 0.7151180
494.5673 1.828644
495.0494 3.355591
495.5315 5.041901
496.0136 5.929199
496.4957 4.877747
496.9778 3.211029
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1302.596 0.0000000E+00
