#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:43:05 +0300 (Thu, 07 Jun 2018) $
#$Revision: 951 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000419.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_1000419
loop_
_publ_author_name
'Angel, R. J.'
'Carpenter, M. A.'
'Finger, L. W.'
_publ_section_title
;
 Structural variation associated with compositional variation and
 order-disorder behavior in anorthite-rich feldspars sample from Monte
 Somma
;
_journal_name_full               'American Mineralogist'
_journal_page_first              150
_journal_page_last               162
_journal_volume                  75
_journal_year                    1990
_chemical_compound_source        R100170
_chemical_formula_sum            'Al Ca O4 Si'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                93.134
_cell_angle_beta                 115.885
_cell_angle_gamma                91.236
_cell_length_a                   8.1796
_cell_length_b                   12.8747
_cell_length_c                   14.172
_cell_volume                     1338.993
_exptl_crystal_density_diffrn    3.158
_cod_original_formula_sum        'Si Al Ca O4'
_cod_database_code               9001260
_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            R100170.rod
_rod_data_source.block           3500000
_rod_database.code               1000419
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 9001260 COD http://www.crystallography.net/cod/9001260.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
158.0495 0.0000000E+00
158.5316 2.689941
159.0137 1.234497
159.4958 1.355591
159.9779 0.6812740
160.4600 2.367981
160.9422 6.364624
161.4243 9.655640
161.9064 13.95264
162.3885 20.34198
162.8706 29.48138
163.3527 40.23596
163.8349 52.17487
164.3170 65.32092
164.7991 79.98962
165.2812 96.48694
165.7633 114.4385
166.2454 133.4891
166.7276 152.9363
167.2097 173.9702
167.6918 198.3214
168.1739 225.4384
168.6560 252.7670
169.1381 278.2764
169.6203 302.8771
170.1024 321.4932
170.5845 339.8557
171.0666 358.0762
171.5487 373.4965
172.0309 386.2199
172.5130 397.4630
172.9951 407.8981
173.4772 417.4572
173.9593 426.0414
174.4414 433.1157
174.9236 439.4648
175.4057 445.9045
175.8878 452.5437
176.3699 458.8204
176.8520 465.1951
177.3341 470.8778
177.8163 474.2427
178.2984 474.2758
178.7805 471.7182
179.2626 466.8204
179.7447 459.4800
180.2268 452.1222
180.7090 447.8427
181.1911 445.7529
181.6732 443.1774
182.1553 439.1139
182.6374 433.7178
183.1195 427.0039
183.6017 418.6554
184.0838 410.3519
184.5659 404.1450
185.0480 399.6917
185.5301 394.9467
186.0123 388.5341
186.4944 381.0216
186.9765 374.5824
187.4586 369.3829
187.9407 364.5461
188.4228 358.3235
188.9050 350.9379
189.3871 344.5588
189.8692 341.1729
190.3513 340.0837
190.8334 337.7464
191.3155 333.4943
191.7977 328.6241
192.2798 324.4812
192.7619 320.9089
193.2440 319.2308
193.7261 321.9722
194.2082 327.7233
194.6904 330.9263
195.1725 331.8301
195.6546 330.2558
196.1367 326.0204
196.6188 319.3809
197.1009 313.7678
197.5831 310.8077
198.0652 310.6326
198.5473 309.7617
199.0294 308.1718
199.5115 305.5442
199.9937 300.7710
200.4758 293.6035
200.9579 286.2524
201.4400 280.0728
201.9221 275.1517
202.4042 270.1248
202.8864 265.1057
203.3685 259.7377
203.8506 252.9323
204.3327 244.4500
204.8148 235.7684
205.2969 227.5867
205.7791 219.8891
206.2612 213.0157
206.7433 207.6348
207.2254 202.6036
207.7075 194.5496
208.1896 182.4508
208.6718 170.2516
209.1539 159.8204
209.6360 151.3646
210.1181 144.3301
210.6002 139.4202
211.0823 135.5307
211.5645 129.2188
212.0466 119.4760
212.5287 109.6730
213.0108 101.7874
213.4929 96.34589
213.9750 90.62000
214.4572 84.48578
214.9393 77.98456
215.4214 70.87177
215.9035 62.28418
216.3856 54.00903
216.8678 46.90253
217.3499 41.01746
217.8320 35.84979
218.3141 31.60602
218.7962 27.94653
219.2783 23.80389
219.7605 18.73456
220.2426 14.00122
220.7247 10.40521
221.2068 8.385864
221.6889 6.182129
222.1710 3.440552
222.6532 0.5403440
223.1353 1.108582
223.6174 0.8724980
224.0995 0.4641110
224.5816 0.6806030
225.0637 1.543945
225.5459 3.050537
226.0280 5.591248
226.5101 8.691589
226.9922 10.73846
227.4743 11.22534
227.9564 11.49713
228.4386 12.37543
228.9207 14.62622
229.4028 15.48560
229.8849 14.17902
230.3670 11.65070
230.8492 10.67792
231.3313 12.37939
231.8134 13.95325
232.2955 14.16840
232.7776 12.75165
233.2597 10.44537
233.7419 6.529907
234.2240 1.908630
234.7061 0.8244020
235.1882 0.6372680
235.6703 0.1652830
236.1524 0.5266110
236.6346 2.083984
237.1167 3.686829
237.5988 5.397156
238.0809 7.135742
238.5630 8.620239
239.0451 9.179077
239.5273 10.47571
240.0094 13.40057
240.4915 18.99847
240.9736 23.43689
241.4557 26.26855
241.9378 28.14862
242.4200 30.46704
242.9021 33.62128
243.3842 36.60559
243.8663 38.92877
244.3484 40.13678
244.8306 42.07532
245.3127 45.02966
245.7948 48.54688
246.2769 51.73657
246.7590 54.17896
247.2411 56.97559
247.7233 60.75128
248.2054 66.13605
248.6875 70.05646
249.1696 71.65540
249.6517 72.34491
250.1338 74.51453
250.6160 79.09619
251.0981 83.49176
251.5802 86.77716
252.0623 88.71429
252.5444 90.87402
253.0265 93.18683
253.5087 95.77301
253.9908 98.84167
254.4729 102.7503
254.9550 106.4582
255.4371 109.5207
255.9192 111.7405
256.4014 114.8143
256.8835 119.2337
257.3656 124.0200
257.8477 128.0059
258.3298 130.7173
258.8120 133.7355
259.2941 137.7396
259.7762 142.8711
260.2583 146.7068
260.7404 148.8009
261.2225 150.1561
261.7047 151.6623
262.1868 152.8821
262.6689 155.4775
263.1510 160.4429
263.6331 167.6273
264.1152 172.6786
264.5974 174.8414
265.0795 176.0503
265.5616 178.1589
266.0437 181.5992
266.5258 184.5260
267.0079 186.4297
267.4901 187.4812
267.9722 188.9757
268.4543 191.0054
268.9364 193.4064
269.4185 196.0985
269.9006 199.1578
270.3828 202.1981
270.8649 205.2885
271.3470 208.3301
271.8291 210.9367
272.3112 213.1910
272.7933 214.8211
273.2755 215.0543
273.7576 213.3952
274.2397 213.9335
274.7218 218.1152
275.2039 224.2147
275.6860 226.6425
276.1682 224.6573
276.6503 221.8373
277.1324 220.3458
277.6145 220.2970
278.0966 220.5258
278.5787 221.0882
279.0609 221.7808
279.5430 222.0898
280.0251 221.9755
280.5072 221.8292
280.9893 221.9078
281.4715 222.2991
281.9536 222.3847
282.4357 222.1401
282.9178 221.4634
283.3999 220.0477
283.8820 217.7866
284.3642 215.3491
284.8463 213.3616
285.3284 211.7668
285.8105 209.1338
286.2926 205.2280
286.7747 200.6238
287.2569 196.3005
287.7390 192.3571
288.2211 188.3201
288.7032 183.9997
289.1853 179.1962
289.6674 173.4943
290.1496 166.8750
290.6317 160.0660
291.1138 153.7522
291.5959 147.9852
292.0780 142.6782
292.5602 137.7062
293.0423 132.8577
293.5244 127.9504
294.0065 123.0581
294.4886 118.1920
294.9707 113.1682
295.4529 108.0157
295.9350 103.0676
296.4171 98.48187
296.8992 93.99048
297.3813 88.90900
297.8634 83.34711
298.3456 78.25751
298.8277 75.14154
299.3098 73.05054
299.7919 69.71326
300.2740 64.18140
300.7561 58.14703
301.2383 53.90826
301.7204 51.19678
302.2025 49.08807
302.6846 47.16779
303.1667 45.44861
303.6488 43.99213
304.1310 42.94684
304.6131 41.87238
305.0952 40.31610
305.5773 38.33777
306.0594 36.15887
306.5415 33.44641
307.0237 30.69696
307.5058 28.49426
307.9879 27.11084
308.4700 25.68689
308.9521 23.13965
309.4343 20.13312
309.9164 17.68903
310.3985 16.76379
310.8806 16.32452
311.3627 15.60724
311.8448 14.47845
312.3270 13.30164
312.8091 12.23846
313.2912 11.33704
313.7733 10.69348
314.2554 10.64276
314.7375 10.44830
315.2197 9.615417
315.7018 8.259460
316.1839 7.022339
316.6660 6.070618
317.1481 5.422852
317.6302 5.124756
318.1124 5.316345
318.5945 5.452271
319.0766 5.256470
319.5587 4.921875
320.0408 4.949280
320.5229 6.330505
321.0051 7.490601
321.4872 7.424438
321.9693 5.153137
322.4514 3.231689
322.9335 2.243469
323.4156 1.960327
323.8978 1.932068
324.3799 2.496155
324.8620 2.931091
325.3441 2.824585
325.8262 1.758545
326.3083 1.409302
326.7905 2.359375
327.2726 3.954285
327.7547 5.374146
328.2368 6.806885
328.7189 7.849548
329.2010 8.398987
329.6832 8.434875
330.1653 8.184509
330.6474 7.403687
331.1295 6.515320
331.6116 5.825500
332.0938 5.160889
332.5759 4.986389
333.0580 5.557739
333.5401 6.749939
334.0222 7.632507
334.5043 8.269226
334.9865 8.515625
335.4686 8.170227
335.9507 6.827209
336.4328 6.022217
336.9149 6.025879
337.3970 6.516296
337.8792 6.636414
338.3613 6.303284
338.8434 5.845459
339.3255 5.273132
339.8076 4.493042
340.2898 4.500488
340.7719 5.628845
341.2540 6.989624
341.7361 7.046448
342.2182 5.630798
342.7003 4.565857
343.1825 4.577515
343.6646 5.515625
344.1467 6.462036
344.6288 7.456116
345.1109 8.294189
345.5930 8.661438
346.0752 8.604065
346.5573 8.733826
347.0394 9.416077
347.5215 10.17731
348.0036 9.698792
348.4857 8.009460
348.9679 6.424255
349.4500 5.979736
349.9321 6.400696
350.4142 6.952759
350.8963 7.603638
351.3784 8.147583
351.8606 8.340698
352.3427 8.200806
352.8248 7.786194
353.3069 6.738953
353.7890 5.593384
354.2711 5.243103
354.7533 5.854370
355.2354 6.392151
355.7175 5.743286
356.1996 4.436340
356.6817 3.392273
357.1638 3.374207
357.6460 3.490234
358.1281 2.827515
358.6102 1.469604
359.0923 0.5330200
359.5744 1.303711
360.0565 2.522217
360.5387 2.945068
361.0208 1.737610
361.5029 0.2868040
361.9850 0.9914550
362.4671 2.060791
362.9492 2.786865
363.4314 3.331482
363.9135 3.367798
364.3956 2.515015
364.8777 2.6672000E-02
365.3598 1.688171
365.8419 1.607300
366.3241 0.5712280
366.8062 0.1659550
367.2883 0.2579960
367.7704 0.3319090
368.2526 0.6804810
368.7347 3.137512
369.2168 4.320496
369.6989 3.243774
370.1810 1.593079
370.6631 0.6931150
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372.5916 1.120239
373.0737 1.794983
373.5558 1.272705
374.0380 0.5310060
374.5201 5.2062999E-02
375.0022 0.7019040
375.4843 0.2899780
375.9664 1.728149
376.4485 4.353088
376.9307 5.455688
377.4128 4.623474
377.8949 3.829285
378.3770 3.980347
378.8591 5.069946
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379.8234 7.397034
380.3055 8.308716
380.7876 8.565369
381.2697 8.262329
381.7518 8.163879
382.2339 8.425415
382.7161 9.068970
383.1982 10.39722
383.6803 12.34949
384.1624 14.13733
384.6445 15.45984
385.1266 16.19922
385.6088 15.66040
386.0909 13.22968
386.5730 10.82318
387.0551 10.77850
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388.0193 15.18665
388.5015 18.26996
388.9836 21.32440
389.4657 23.62079
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393.3226 30.52563
393.8047 31.27936
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394.7690 35.90009
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397.1796 38.87012
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398.1438 45.06702
398.6259 48.30951
399.1081 50.64984
399.5902 51.42065
400.0723 50.30334
400.5544 49.68536
401.0365 49.60431
401.5186 50.02686
402.0008 50.91425
402.4829 52.37292
402.9650 54.13336
403.4471 56.49255
403.9292 59.12488
404.4113 60.48810
404.8935 60.10461
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406.8219 62.07690
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410.1967 47.36200
410.6789 44.62811
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412.1252 36.46942
412.6073 33.69733
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414.5358 31.37622
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415.9821 26.38672
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417.9106 20.14777
418.3927 18.29333
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419.3570 14.29211
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437.1953 2.901672
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438.1595 2.3190000E-03
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451.1767 1.717834
451.6588 2.725281
452.1409 2.944275
452.6230 3.797241
453.1052 6.741760
453.5873 12.05377
454.0694 16.08179
454.5515 18.32910
455.0337 19.62201
455.5158 20.78003
455.9979 21.89233
456.4800 24.11884
456.9621 28.64813
457.4442 34.45758
457.9264 38.93945
458.4085 42.13336
458.8906 45.65332
459.3727 51.31842
459.8548 58.02271
460.3369 63.59039
460.8191 66.87512
461.3012 70.74988
461.7833 78.24225
462.2654 88.03247
462.7475 97.33154
463.2296 104.3082
463.7118 111.0956
464.1939 118.7386
464.6760 127.3720
465.1581 136.7340
465.6402 146.5212
466.1223 157.0455
466.6045 168.4006
467.0866 181.9607
467.5687 194.5801
468.0508 205.3098
468.5329 215.1223
469.0150 226.4634
469.4972 240.4893
469.9793 254.0012
470.4614 265.2265
470.9435 273.8929
471.4256 286.2505
471.9077 303.5762
472.3899 322.0705
472.8720 338.0761
473.3541 351.5351
473.8362 365.8779
474.3183 382.0028
474.8004 398.7917
475.2826 414.0984
475.7647 427.9768
476.2468 441.2170
476.7289 453.9918
477.2110 466.4968
477.6931 479.2142
478.1753 492.1915
478.6574 504.3716
479.1395 515.2189
479.6216 524.6185
480.1037 532.3258
480.5858 538.0200
481.0680 542.5492
481.5501 546.8751
482.0322 550.4997
482.5143 552.3195
482.9964 550.6527
483.4786 548.1793
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