#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:40:01 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1208 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000622.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_1000622
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        R040059
_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 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            R040059.rod
_rod_data_source.block           3500000
_rod_database.code               1000622
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
114.2189 0.0000000E+00
114.7010 9.6252002E-02
115.1832 0.4733890
115.6653 1.169891
116.1474 2.154602
116.6295 1.431580
117.1116 0.1009830
117.5937 0.4497990
118.0759 0.3229680
118.5580 1.454071
119.0401 2.016296
119.5222 1.827423
120.0043 1.723816
120.4864 2.908905
120.9686 5.190948
121.4507 7.242249
121.9328 8.378723
122.4149 8.983398
122.8970 9.992096
123.3791 11.59738
123.8613 13.65854
124.3434 16.02399
124.8255 18.76062
125.3076 21.68146
125.7897 24.69403
126.2718 27.72433
126.7540 30.62067
127.2361 32.78418
127.7182 35.19440
128.2003 38.61813
128.6824 43.16205
129.1645 47.99890
129.6467 51.86426
130.1288 54.07727
130.6109 56.56134
131.0930 59.67914
131.5751 62.97073
132.0572 66.17755
132.5394 69.18527
133.0215 71.87933
133.5036 73.90289
133.9857 74.87164
134.4678 75.62415
134.9499 76.55176
135.4321 77.46640
135.9142 79.19553
136.3963 82.72247
136.8784 87.85745
137.3605 92.49435
137.8426 96.28421
138.3248 99.39911
138.8069 101.9905
139.2890 104.5275
139.7711 107.0171
140.2532 109.1964
140.7353 111.3453
141.2175 114.3453
141.6996 119.1241
142.1817 124.3126
142.6638 128.8229
143.1459 132.7459
143.6280 135.3734
144.1102 136.3317
144.5923 135.7007
145.0744 133.1154
145.5565 127.7977
146.0386 120.4174
146.5207 112.9338
147.0029 105.5779
147.4850 97.67157
147.9671 88.43610
148.4492 78.44815
148.9313 68.95538
149.4134 61.10464
149.8955 54.95816
150.3777 48.21289
150.8598 39.38074
151.3419 31.18527
151.8240 24.61188
152.3061 19.56494
152.7882 15.39569
153.2704 11.42410
153.7525 7.588867
154.2346 4.218262
154.7167 0.8784180
155.1988 1.836823
155.6809 3.354645
156.1631 3.701965
156.6452 3.535248
157.1273 3.740204
157.6094 4.510986
158.0915 5.312469
158.5736 6.472565
159.0558 7.507019
159.5379 7.912354
160.0200 7.535217
160.5021 6.654877
160.9842 5.712830
161.4663 4.744751
161.9485 3.629150
162.4306 2.383453
162.9127 0.9667360
163.3948 0.7018430
163.8769 2.625336
164.3590 4.874268
164.8412 7.568451
165.3233 10.78226
165.8054 14.03485
166.2875 17.05539
166.7696 19.87918
167.2517 22.63315
167.7339 25.21155
168.2160 27.87341
168.6981 30.80359
169.1802 34.01382
169.6623 37.49054
170.1444 41.40494
170.6266 45.89795
171.1087 49.89127
171.5908 52.15079
172.0729 54.31662
172.5550 57.60593
173.0371 62.41687
173.5193 67.84735
174.0014 72.49673
174.4835 76.09119
174.9656 79.39679
175.4477 82.25537
175.9298 85.12286
176.4120 88.37088
176.8941 92.17239
177.3762 96.28937
177.8583 100.0023
178.3404 102.6903
178.8225 105.8116
179.3047 109.5261
179.7868 113.7284
180.2689 118.4810
180.7510 123.8181
181.2331 129.5126
181.7152 134.4045
182.1974 137.9338
182.6795 141.3293
183.1616 144.6834
183.6437 148.0517
184.1258 151.6150
184.6079 155.5489
185.0900 159.6861
185.5722 162.8123
186.0543 164.3631
186.5364 165.7563
187.0185 167.2077
187.5006 168.8450
187.9827 171.1701
188.4649 174.7606
188.9470 179.1974
189.4291 182.5369
189.9112 184.5171
190.3933 185.7408
190.8754 186.4215
191.3576 186.5822
191.8397 186.4968
192.3218 186.4251
192.8039 186.1503
193.2860 185.2467
193.7681 183.3742
194.2503 181.1111
194.7324 179.0925
195.2145 177.3714
195.6966 175.5073
196.1787 173.2840
196.6608 170.7441
197.1430 167.8505
197.6251 164.5252
198.1072 160.9045
198.5893 157.2268
199.0714 153.5146
199.5535 149.6212
200.0357 144.7841
200.5178 139.9460
200.9999 136.3289
201.4820 134.7015
201.9641 134.3334
202.4462 133.1364
202.9284 130.4244
203.4105 127.9980
203.8926 126.9423
204.3747 126.2703
204.8568 124.6146
205.3389 121.0846
205.8211 116.2279
206.3032 112.6326
206.7853 111.6708
207.2674 110.3565
207.7495 107.9446
208.2316 104.8650
208.7138 101.7634
209.1959 99.04846
209.6780 96.61493
210.1601 93.77798
210.6422 90.26343
211.1243 86.59833
211.6065 82.68982
212.0886 78.69870
212.5707 74.87814
213.0528 71.34317
213.5349 68.08472
214.0170 64.65067
214.4992 61.12888
214.9813 57.41327
215.4634 53.07047
215.9455 48.48950
216.4276 44.32605
216.9097 40.99792
217.3919 38.54037
217.8740 37.09885
218.3561 37.15692
218.8382 37.53406
219.3203 38.24463
219.8024 39.00485
220.2845 39.02570
220.7667 37.70694
221.2488 35.23096
221.7309 32.96387
222.2130 30.89578
222.6951 29.01920
223.1772 27.45023
223.6594 26.11575
224.1415 24.66165
224.6236 22.81409
225.1057 20.71750
225.5878 18.85272
226.0699 16.99658
226.5521 15.59146
227.0342 15.22974
227.5163 15.79849
227.9984 16.07581
228.4805 15.08450
228.9626 13.59015
229.4448 13.05841
229.9269 13.82477
230.4090 15.19070
230.8911 16.60825
231.3732 18.07135
231.8553 19.82574
232.3375 22.21368
232.8196 24.83929
233.3017 27.20834
233.7838 29.22076
234.2659 31.05215
234.7480 32.79361
235.2302 34.42041
235.7123 36.19687
236.1944 37.99771
236.6765 40.14066
237.1586 43.07123
237.6407 46.97693
238.1229 51.11044
238.6050 54.44601
239.0871 56.74545
239.5692 59.45093
240.0513 63.64304
240.5334 67.99631
241.0156 71.55447
241.4977 74.08160
241.9798 76.27496
242.4619 79.16446
242.9440 83.11685
243.4261 86.36652
243.9083 87.70349
244.3904 88.85803
244.8725 91.18176
245.3546 94.85806
245.8367 98.66904
246.3188 100.8071
246.8010 100.6134
247.2831 100.7704
247.7652 101.8535
248.2473 103.0562
248.7294 103.8461
249.2115 104.1687
249.6937 104.3868
250.1758 104.9868
250.6579 106.1304
251.1400 107.2391
251.6221 108.2442
252.1042 109.2725
252.5864 110.4792
253.0685 111.8372
253.5506 113.1219
254.0327 114.1277
254.5148 114.9864
254.9969 115.0600
255.4790 113.9371
255.9612 112.5193
256.4433 111.3656
256.9254 110.4569
257.4075 109.3267
257.8896 107.4049
258.3718 104.3828
258.8539 101.9767
259.3360 100.8344
259.8181 99.61713
260.3002 97.32904
260.7823 94.19016
261.2645 91.33041
261.7466 89.90082
262.2287 90.19464
262.7108 89.73123
263.1929 87.88940
263.6750 86.04849
264.1572 84.57785
264.6393 83.61694
265.1214 83.43015
265.6035 84.37817
266.0856 86.52197
266.5677 87.55038
267.0499 86.41504
267.5320 85.45880
268.0141 85.90033
268.4962 87.40536
268.9783 88.83282
269.4604 89.37790
269.9426 89.12958
270.4247 89.24457
270.9068 90.07733
271.3889 90.82501
271.8710 91.27249
272.3531 91.40146
272.8352 91.16541
273.3174 90.49899
273.7995 89.53287
274.2816 88.81815
274.7637 88.15701
275.2458 87.86667
275.7279 88.24432
276.2101 89.05429
276.6922 89.85614
277.1743 90.48212
277.6564 90.90518
278.1385 90.97546
278.6206 90.48764
279.1028 90.14114
279.5849 90.40759
280.0670 90.93390
280.5491 90.99393
281.0312 90.23822
281.5133 89.15881
281.9955 88.87991
282.4776 89.80536
282.9597 89.97903
283.4418 88.31812
283.9239 85.74170
284.4060 83.92053
284.8882 83.44870
285.3703 83.05356
285.8524 80.59021
286.3345 75.83591
286.8166 71.62738
287.2987 68.95551
287.7809 66.98517
288.2630 64.70483
288.7451 61.96841
289.2272 58.99231
289.7093 56.07722
290.1914 53.18208
290.6736 49.98619
291.1557 46.13258
291.6378 42.06564
292.1199 38.10941
292.6020 34.30734
293.0841 31.04158
293.5663 28.88838
294.0484 27.59889
294.5305 25.92067
295.0126 23.28952
295.4947 20.56595
295.9768 18.47290
296.4590 17.01181
296.9411 15.85918
297.4232 14.88762
297.9053 14.10857
298.3874 13.43803
298.8695 12.81888
299.3517 12.37994
299.8338 12.47641
300.3159 12.98331
300.7980 12.99306
301.2801 11.87021
301.7622 10.14761
302.2444 8.913910
302.7265 8.187668
303.2086 7.897552
303.6907 8.335358
304.1728 9.259415
304.6549 9.737915
305.1371 9.325836
305.6192 8.546417
306.1013 8.221863
306.5834 8.407028
307.0655 8.499390
307.5476 8.311310
308.0298 7.837280
308.5119 6.948334
308.9940 5.450821
309.4761 3.951385
309.9582 3.227173
310.4403 3.157791
310.9225 3.129105
311.4046 2.955414
311.8867 2.695267
312.3688 2.405762
312.8509 2.069458
313.3330 1.818451
313.8152 1.766312
314.2973 1.895981
314.7794 2.202484
315.2615 2.543243
315.7436 3.143570
316.2257 4.460449
316.7079 6.535477
317.1900 8.406403
317.6721 9.407593
318.1542 9.781006
318.6363 10.18901
319.1184 10.73016
319.6006 11.25101
320.0827 11.51064
320.5648 11.57195
321.0469 11.99657
321.5290 13.38423
322.0111 14.94647
322.4933 15.21193
322.9754 13.79724
323.4575 12.30136
323.9396 11.81724
324.4217 11.95531
324.9038 11.44676
325.3860 9.740982
325.8681 7.632538
326.3502 6.265823
326.8323 5.617676
327.3144 4.874176
327.7965 3.487305
328.2787 1.885452
328.7608 0.8866580
329.2429 0.6994170
329.7250 0.7041780
330.2071 0.2489620
330.6892 0.5728000
331.1714 1.221313
331.6535 1.556198
332.1356 1.696991
332.6177 1.704163
333.0998 1.582199
333.5819 1.496124
334.0641 1.623444
334.5462 1.865967
335.0283 1.865509
335.5104 1.335373
335.9925 0.8296510
336.4746 0.7456360
336.9568 1.015686
337.4389 1.337891
337.9210 1.612656
338.4031 1.828918
338.8852 1.971359
339.3673 2.046631
339.8495 2.052124
340.3316 1.978897
340.8137 1.833557
341.2958 1.544861
341.7779 1.021072
342.2600 0.6060790
342.7421 0.9936520
343.2242 2.310959
343.7064 3.183807
344.1885 3.056503
344.6706 2.508545
345.1527 2.112885
345.6348 1.955811
346.1169 2.014450
346.5991 2.334213
347.0812 2.929047
347.5633 3.340378
348.0454 3.597458
348.5275 3.653366
349.0096 3.319153
349.4918 2.694977
349.9739 2.256729
350.4560 2.364944
350.9381 2.854858
351.4202 2.897675
351.9023 2.149246
352.3845 1.435196
352.8666 1.076752
353.3487 0.9130860
353.8308 0.6525730
354.3129 0.1777500
354.7950 0.4214480
355.2772 0.9810180
355.7593 1.500992
356.2414 1.979034
356.7235 2.353149
357.2056 2.718887
357.6877 3.110764
358.1699 3.554947
358.6520 4.176987
359.1341 5.142715
359.6162 6.532211
360.0983 7.885498
360.5804 9.364624
361.0626 10.67249
361.5447 11.58640
362.0268 12.17894
362.5089 12.67677
362.9910 13.20413
363.4731 13.79131
363.9553 14.71614
364.4374 16.31424
364.9195 17.84160
365.4016 19.18227
365.8837 20.35019
366.3658 21.42493
366.8480 22.44118
367.3301 23.26581
367.8122 23.59145
368.2943 23.00902
368.7764 22.52763
369.2585 22.25365
369.7407 22.00003
370.2228 21.64124
370.7049 21.15244
371.1870 20.55800
371.6691 19.84703
372.1512 18.95923
372.6334 18.35185
373.1155 18.19734
373.5976 18.13799
374.0797 18.23274
374.5618 18.31754
375.0439 18.03607
375.5261 17.08568
376.0082 15.68044
376.4903 14.92676
376.9724 15.35570
377.4545 15.71654
377.9366 15.52640
378.4188 15.30127
378.9009 15.66588
379.3830 16.81404
379.8651 18.27565
380.3472 19.28175
380.8293 19.71564
381.3115 20.09782
381.7936 20.42892
382.2757 20.75435
382.7578 21.11351
383.2399 21.49823
383.7220 21.84903
384.2042 21.97163
384.6863 21.92024
385.1684 22.57959
385.6505 24.76845
386.1326 26.49435
386.6147 26.61908
387.0969 25.89008
387.5790 25.52010
388.0611 26.12669
388.5432 27.23409
389.0253 27.97749
389.5074 28.28619
389.9896 28.71489
390.4717 29.29375
390.9538 30.16214
391.4359 31.47652
391.9180 33.24393
392.4001 35.18396
392.8823 37.21861
393.3644 39.31784
393.8465 41.21834
394.3286 42.80273
394.8107 44.10896
395.2928 45.24078
395.7750 46.17273
396.2571 46.76364
396.7392 46.56892
397.2213 46.25418
397.7034 47.07663
398.1855 49.17532
398.6677 50.76498
399.1498 50.48715
399.6319 49.10780
400.1140 48.45372
400.5961 48.89381
401.0782 49.35606
401.5604 49.23938
402.0425 48.76680
402.5246 48.48360
403.0067 48.60062
403.4888 48.78085
403.9709 48.45480
404.4531 47.54570
404.9352 46.74261
405.4173 46.54657
405.8994 46.31360
406.3815 45.50998
406.8636 44.08711
407.3458 41.98436
407.8279 38.94679
408.3100 35.03609
408.7921 31.89842
409.2742 29.77258
409.7563 28.14532
410.2385 27.12660
410.7206 26.40393
411.2027 25.49390
411.6848 24.20540
412.1669 22.64706
412.6490 20.98692
413.1311 18.76791
413.6133 17.27525
414.0954 17.01692
414.5775 17.07117
415.0596 16.69283
415.5417 15.87990
416.0238 15.16533
416.5060 15.02588
416.9881 15.46936
417.4702 16.35605
417.9523 18.01086
418.4344 19.76646
418.9165 21.41971
419.3987 23.08501
419.8808 24.94719
420.3629 27.07422
420.8450 29.44881
421.3271 32.03333
421.8092 34.89830
422.2914 37.77142
422.7735 40.59808
423.2556 43.45389
423.7377 46.48535
424.2198 49.63950
424.7019 52.64896
425.1841 55.34299
425.6662 57.71758
426.1483 59.68279
426.6304 61.34473
427.1125 62.35533
427.5946 62.30563
428.0768 61.66165
428.5589 61.22461
429.0410 61.54971
429.5231 61.57629
430.0052 59.52043
430.4873 55.32361
430.9695 51.78200
431.4516 50.05771
431.9337 49.02785
432.4158 47.47430
432.8979 45.39088
433.3800 43.10368
433.8622 40.48468
434.3443 37.84531
434.8264 35.74049
435.3085 34.25336
435.7906 33.11606
436.2727 32.32877
436.7549 31.74178
437.2370 30.70534
437.7191 28.99014
438.2012 27.03297
438.6833 24.96957
439.1654 22.83569
439.6476 20.67580
440.1297 18.48439
440.6118 16.37764
441.0939 14.60161
441.5760 13.37941
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