#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:53:57 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1000 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000457.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_1000457
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        R060221
_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            R060221.rod
_rod_data_source.block           3500000
_rod_database.code               1000457
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
155.7175 0.0000000E+00
156.1996 6.936551
156.6817 7.466329
157.1639 6.823812
157.6460 9.137281
158.1281 4.276489
158.6102 0.2441830
159.0923 2.170197
159.5744 1.831375
160.0566 0.1362940
160.5387 3.996964
161.0208 9.392665
161.5029 16.46864
161.9850 25.80482
162.4671 37.88826
162.9493 51.89445
163.4314 67.21716
163.9135 83.25619
164.3956 101.0404
164.8777 120.9343
165.3598 142.9417
165.8420 167.2575
166.3241 194.1899
166.8062 223.2254
167.2883 253.9157
167.7704 286.5164
168.2525 320.1584
168.7346 354.4367
169.2168 389.4161
169.6989 425.8206
170.1810 465.2935
170.6631 506.1042
171.1452 546.3136
171.6273 584.1931
172.1095 621.3851
172.5916 659.7827
173.0737 699.4119
173.5558 739.0103
174.0379 778.9271
174.5201 817.7761
175.0022 854.0246
175.4843 886.3924
175.9664 916.5892
176.4485 946.1102
176.9306 975.0931
177.4128 1001.824
177.8949 1025.292
178.3770 1045.419
178.8591 1062.473
179.3412 1076.436
179.8233 1087.382
180.3055 1096.271
180.7876 1103.327
181.2697 1106.019
181.7518 1100.398
182.2339 1088.118
182.7160 1074.079
183.1982 1061.713
183.6803 1049.067
184.1624 1031.449
184.6445 1008.667
185.1266 982.9974
185.6087 956.4257
186.0909 928.8320
186.5730 901.1172
187.0551 873.2612
187.5372 845.5401
188.0193 818.1819
188.5014 792.1908
188.9836 771.3222
189.4657 754.5760
189.9478 740.7435
190.4299 729.0361
190.9120 717.7887
191.3941 706.4659
191.8763 695.0891
192.3584 682.4074
192.8405 669.4662
193.3226 658.2230
193.8047 648.7302
194.2868 638.1793
194.7690 627.0688
195.2511 616.6889
195.7332 606.1248
196.2153 594.2019
196.6974 582.1320
197.1795 570.6628
197.6617 559.2053
198.1438 546.7341
198.6259 536.4010
199.1080 528.3483
199.5901 518.3247
200.0722 505.8152
200.5544 492.0500
201.0365 479.4295
201.5186 467.9681
202.0007 456.9175
202.4828 446.3038
202.9649 436.2419
203.4471 424.7015
203.9292 411.1402
204.4113 396.4566
204.8934 382.1440
205.3755 368.3416
205.8576 354.8503
206.3398 341.6987
206.8219 328.9589
207.3040 315.9887
207.7861 302.9086
208.2682 288.9266
208.7503 274.6810
209.2325 260.1518
209.7146 246.3069
210.1967 233.8063
210.6788 223.0647
211.1609 211.4817
211.6430 198.5434
212.1252 185.0504
212.6073 173.1433
213.0894 163.3950
213.5715 153.8463
214.0536 143.6977
214.5357 132.8256
215.0179 121.6464
215.5000 109.8135
215.9821 97.87985
216.4642 87.12385
216.9463 78.36383
217.4284 69.46526
217.9105 58.93507
218.3927 45.72758
218.8748 34.55235
219.3569 25.84291
219.8390 18.91808
220.3211 12.28942
220.8032 6.500164
221.2854 0.1221270
221.7675 9.021126
222.2496 6.276591
222.7317 3.537222
223.2138 9.511587
223.6959 12.70835
224.1781 15.39174
224.6602 16.91767
225.1423 17.71583
225.6244 13.14546
226.1065 6.340899
226.5886 0.4575240
227.0708 4.606689
227.5529 8.772091
228.0350 11.84346
228.5171 11.97459
228.9992 10.57215
229.4813 9.327469
229.9635 8.266564
230.4456 7.307270
230.9277 6.459114
231.4098 5.746502
231.8919 5.141770
232.3740 4.440554
232.8562 4.219872
233.3383 4.728134
233.8204 6.134295
234.3025 7.746214
234.7846 9.561023
235.2667 10.99121
235.7489 8.603786
236.2310 6.351028
236.7131 3.416925
237.1952 0.6665150
237.6773 5.804489
238.1594 0.2352940
238.6416 5.455589
239.1237 10.57204
239.6058 4.337971
240.0879 3.737651
240.5700 11.97564
241.0521 19.95518
241.5343 27.57928
242.0164 35.01933
242.4985 41.76517
242.9806 48.65100
243.4627 57.01878
243.9448 67.71726
244.4270 78.37891
244.9091 88.16971
245.3912 96.77457
245.8733 106.3051
246.3554 117.4252
246.8375 128.9218
247.3197 139.0525
247.8018 146.6476
248.2839 154.9760
248.7660 165.3080
249.2481 178.1666
249.7302 189.1225
250.2124 197.1521
250.6945 204.3626
251.1766 213.4238
251.6587 225.5866
252.1408 237.2306
252.6229 247.3463
253.1051 255.8719
253.5872 265.0793
254.0693 275.3615
254.5514 286.0442
255.0335 296.5016
255.5156 306.6161
255.9978 316.5305
256.4799 326.0323
256.9620 335.1557
257.4441 345.2131
257.9262 356.4252
258.4083 368.2213
258.8904 379.9451
259.3726 391.5797
259.8547 403.3827
260.3368 415.4965
260.8189 427.9116
261.3010 439.4083
261.7831 449.6860
262.2653 459.5004
262.7474 469.0848
263.2295 478.0395
263.7116 488.2990
264.1937 500.9327
264.6758 515.1951
265.1580 527.1065
265.6401 535.5047
266.1222 543.6455
266.6043 554.0197
267.0864 567.6674
267.5685 580.0963
268.0507 590.5949
268.5328 599.7094
269.0149 609.8424
269.4970 621.8110
269.9791 633.1202
270.4612 642.2193
270.9434 648.4847
271.4255 655.2167
271.9076 662.5300
272.3897 670.5399
272.8718 679.9377
273.3539 691.2052
273.8361 702.1993
274.3182 711.8616
274.8003 720.0922
275.2824 727.2089
275.7645 732.7704
276.2466 737.6357
276.7288 743.7637
277.2109 751.4792
277.6930 758.7173
278.1751 764.2926
278.6572 768.1614
279.1393 772.1164
279.6215 775.9056
280.1036 778.8350
280.5857 779.7855
281.0678 778.5162
281.5499 776.7639
282.0320 775.7009
282.5142 775.1749
282.9963 771.6680
283.4784 764.8707
283.9605 757.0671
284.4426 751.5909
284.9247 748.2202
285.4069 743.1285
285.8890 734.6787
286.3711 723.7072
286.8532 713.3916
287.3353 703.8818
287.8174 693.9142
288.2996 682.5061
288.7817 669.6337
289.2638 655.1980
289.7459 638.6586
290.2280 620.7909
290.7101 603.2041
291.1923 585.8479
291.6744 568.5150
292.1565 550.8127
292.6386 532.7615
293.1207 514.6570
293.6028 496.6381
294.0850 478.9987
294.5671 461.6612
295.0492 444.6131
295.5313 427.4435
296.0134 410.4831
296.4955 393.4544
296.9777 376.7128
297.4598 360.9887
297.9419 345.9667
298.4240 331.2970
298.9061 317.1128
299.3882 303.9008
299.8704 292.5522
300.3525 282.4415
300.8346 272.2777
301.3167 261.8023
301.7988 251.0015
302.2809 239.2338
302.7631 227.0720
303.2452 215.4771
303.7273 204.9419
304.2094 195.4304
304.6915 187.1995
305.1736 180.2402
305.6558 173.8404
306.1379 167.8279
306.6200 161.8791
307.1021 155.4460
307.5842 147.0073
308.0663 138.5837
308.5485 132.2791
309.0306 128.0747
309.5127 123.9539
309.9948 118.1181
310.4769 111.6434
310.9590 105.9552
311.4412 101.9235
311.9233 98.24849
312.4054 93.97115
312.8875 89.17993
313.3696 84.77432
313.8517 81.93798
314.3339 79.37385
314.8160 75.70743
315.2981 69.99882
315.7802 64.75820
316.2623 61.82393
316.7444 60.51976
317.2266 58.92850
317.7087 54.80764
318.1908 51.10183
318.6729 50.12555
319.1550 53.88920
319.6371 55.57771
320.1193 51.39303
320.6014 44.12658
321.0835 38.09312
321.5656 35.00903
322.0477 32.98447
322.5298 31.44725
323.0120 30.48122
323.4941 29.12277
323.9762 26.61452
324.4583 23.81826
324.9404 21.67235
325.4225 20.70146
325.9047 20.00664
326.3868 19.51926
326.8689 19.25218
327.3510 18.91824
327.8331 18.36571
328.3152 17.85741
328.7974 17.57913
329.2795 18.11212
329.7616 18.20201
330.2437 17.47914
330.7258 16.13837
331.2079 15.25631
331.6901 14.94945
332.1722 14.96120
332.6543 15.13726
333.1364 15.22965
333.6185 15.96255
334.1006 17.86225
334.5828 20.22430
335.0649 21.34681
335.5470 20.83353
336.0291 19.74543
336.5112 18.29037
336.9933 16.23590
337.4755 15.06951
337.9576 15.14847
338.4397 15.73959
338.9218 15.87675
339.4039 15.50610
339.8860 14.87197
340.3681 13.87486
340.8503 12.58310
341.3324 12.21218
341.8145 13.14201
342.2966 13.93268
342.7787 12.97263
343.2608 10.17193
343.7430 7.812570
344.2251 6.515871
344.7072 5.837926
345.1893 4.292095
345.6714 1.760302
346.1535 0.3517880
346.6357 0.7100480
347.1178 0.3694540
347.5999 0.9742580
348.0820 0.8549400
348.5641 0.2818120
349.0462 0.5704820
349.5284 1.630024
350.0105 2.369422
350.4926 2.044779
350.9747 1.270558
351.4568 1.748726
351.9389 3.693568
352.4211 4.629758
352.9032 4.570288
353.3853 2.123695
353.8674 0.8255470
354.3495 2.709952
354.8316 3.366708
355.3138 1.512408
355.7959 0.8988350
356.2780 0.7217290
356.7601 1.012015
357.2422 1.225128
357.7243 0.4684010
358.2065 2.024902
358.6886 0.4168270
359.1707 0.6873000
359.6528 0.2989270
360.1349 2.176489
360.6170 1.014671
361.0992 1.246365
361.5813 1.579534
362.0634 1.005991
362.5455 0.6623000
363.0276 0.3651820
363.5097 4.8974998E-02
363.9919 0.3825320
364.4740 1.436192
364.9561 2.198725
365.4382 2.145473
365.9203 1.168752
366.4024 0.4785150
366.8846 0.4207590
367.3667 0.6738090
367.8488 0.9786090
368.3309 1.411124
368.8130 1.766763
369.2951 1.426750
369.7773 1.284737
370.2594 0.3904800
370.7415 2.410057
371.2236 4.344852
371.7057 4.392241
372.1878 1.138158
372.6700 1.014295
373.1521 0.3533050
373.6342 0.2605890
374.1163 0.3168980
374.5984 0.8365040
375.0805 0.2992510
375.5627 0.3622730
376.0448 0.2659060
376.5269 1.330648
377.0090 0.2848420
377.4911 2.845751
377.9732 4.247842
378.4554 4.372250
378.9375 4.668052
379.4196 5.329907
379.9017 6.468657
380.3838 7.886997
380.8659 9.653690
381.3481 11.39434
381.8302 12.81171
382.3123 14.06110
382.7944 15.82229
383.2765 18.32323
383.7586 21.06452
384.2408 23.42517
384.7229 25.40776
385.2050 27.15243
385.6871 28.23740
386.1692 29.21972
386.6513 31.50749
387.1335 35.24294
387.6156 39.20340
388.0977 41.93634
388.5798 44.03694
389.0619 46.41297
389.5440 49.17664
390.0262 52.13263
390.5083 54.99164
390.9904 57.98632
391.4725 61.65271
391.9546 67.15272
392.4367 72.93491
392.9189 77.58660
393.4010 80.63779
393.8831 82.92798
394.3652 84.20662
394.8473 85.09154
395.3294 86.58932
395.8116 89.43310
396.2937 92.64165
396.7758 95.79342
397.2579 98.81660
397.7400 101.7535
398.2221 105.1887
398.7043 108.1731
399.1864 109.9188
399.6685 108.4728
400.1506 107.9760
400.6327 109.3745
401.1148 112.1870
401.5970 114.2114
402.0791 115.2634
402.5612 115.7035
403.0433 115.5060
403.5254 114.0789
404.0075 113.8171
404.4897 115.5946
404.9718 117.9164
405.4539 118.1069
405.9360 115.3199
406.4181 113.1404
406.9002 112.8474
407.3824 114.1146
407.8645 114.3811
408.3466 113.6470
408.8287 112.3375
409.3108 110.7127
409.7929 108.6128
410.2751 105.6448
410.7572 101.6798
411.2393 97.40451
411.7214 93.89472
412.2035 90.75220
412.6856 86.96972
413.1678 81.37546
413.6499 74.98236
414.1320 70.17034
414.6141 67.16996
415.0962 64.43226
415.5783 60.34523
416.0605 55.25349
416.5426 50.36228
417.0247 46.10109
417.5068 42.50208
417.9889 39.52847
418.4710 36.94964
418.9532 34.10559
419.4353 30.15792
419.9174 26.26752
420.3995 23.40333
420.8816 22.12967
421.3637 20.72904
421.8459 18.09253
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423.2922 11.70275
423.7743 10.87530
424.2564 8.989878
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425.2207 3.145290
425.7028 1.131822
426.1849 0.2307460
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431.0061 6.403556
431.4882 6.729374
431.9703 3.526228
432.4524 0.3250020
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434.8630 1.553860
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436.7915 1.028356
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438.7199 1.076846
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444.0232 8.8367999E-02
444.5053 1.305125
444.9874 2.908596
445.4695 0.5841060
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446.4338 3.698929
446.9159 2.306384
447.3980 0.9684210
447.8801 0.8219110
448.3622 2.003011
448.8444 2.054327
449.3265 7.7430001E-03
449.8086 2.346148
450.2907 3.188907
450.7728 2.769879
451.2549 2.744871
451.7371 3.274491
452.2192 3.419128
452.7013 3.081231
453.1834 2.956102
453.6655 3.596579
454.1476 2.554317
454.6298 0.1343730
455.1119 2.735311
455.5940 5.137875
456.0761 7.840281
456.5582 11.15343
457.0403 15.10154
457.5225 19.89543
458.0046 25.61838
458.4867 31.86744
458.9688 37.90158
459.4509 43.83612
459.9330 49.87611
460.4152 56.01760
460.8973 62.50467
461.3794 69.60671
461.8615 77.45168
462.3436 85.53884
462.8257 93.74018
463.3079 102.0456
463.7900 110.4163
464.2721 118.3402
464.7542 127.0998
465.2363 137.6454
465.7184 149.4873
466.2006 161.2155
466.6827 171.8077
467.1648 182.8307
467.6469 194.8768
468.1290 208.1814
468.6111 221.6699
469.0933 234.9095
469.5754 248.7059
470.0575 264.1660
470.5396 282.5963
471.0217 299.8997
471.5038 315.0978
471.9860 329.0937
472.4681 345.3849
472.9502 364.5121
473.4323 384.1971
473.9144 403.1068
474.3965 421.3512
474.8787 440.2376
475.3608 459.8633
475.8429 479.2941
476.3250 496.4786
476.8071 512.0164
477.2892 529.2823
477.7714 549.7496
478.2535 571.0948
478.7356 590.6296
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