#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:40:52 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1221 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000633.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_1000633
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        R060082
_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            R060082.rod
_rod_data_source.block           3500000
_rod_database.code               1000633
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
113.2336 0.0000000E+00
113.7157 0.3398130
114.1978 0.6008300
114.6799 0.8257450
115.1620 0.8159480
115.6442 1.622192
116.1263 1.737610
116.6084 1.511139
117.0905 0.7240300
117.5726 3.7354000E-02
118.0547 0.3576350
118.5369 0.1614990
119.0190 0.2921450
119.5011 0.6817020
119.9832 1.013641
120.4653 1.230347
120.9474 1.307617
121.4296 1.295929
121.9117 1.205383
122.3938 1.038696
122.8759 0.8392330
123.3580 0.7561040
123.8401 1.026428
124.3223 1.155457
124.8044 0.8183590
125.2865 0.3424680
125.7686 0.2817080
126.2507 1.037079
126.7328 2.517059
127.2150 3.381622
127.6971 3.340240
128.1792 3.140625
128.6613 3.095551
129.1434 3.190125
129.6255 3.229828
130.1077 3.013031
130.5898 2.580597
131.0719 2.354858
131.5540 2.355804
132.0361 2.568237
132.5182 3.075745
133.0004 3.960785
133.4825 4.788025
133.9646 5.138855
134.4467 5.162750
134.9288 5.116608
135.4109 5.075592
135.8931 5.044098
136.3752 5.021942
136.8573 4.923309
137.3394 4.967743
137.8215 5.267609
138.3036 5.791748
138.7858 6.435181
139.2679 7.186066
139.7500 8.082489
140.2321 8.777191
140.7142 9.114746
141.1963 9.368347
141.6785 9.613037
142.1606 9.871582
142.6427 10.15454
143.1248 10.46661
143.6069 10.76569
144.0890 11.21136
144.5712 12.01025
145.0533 12.79489
145.5354 13.25809
146.0175 13.32901
146.4996 13.24380
146.9817 13.43085
147.4639 14.20560
147.9460 14.74982
148.4281 14.79837
148.9102 14.66904
149.3923 14.79691
149.8744 15.37720
150.3566 16.19214
150.8387 16.71472
151.3208 16.83246
151.8029 17.02130
152.2850 17.52805
152.7671 18.26318
153.2493 18.92432
153.7314 19.36655
154.2135 19.68170
154.6956 20.04764
155.1777 20.45990
155.6598 20.92505
156.1420 21.52631
156.6241 22.27701
157.1062 22.83719
157.5883 22.70789
158.0704 22.47549
158.5525 22.67172
159.0347 23.46423
159.5168 24.61182
159.9989 25.84625
160.4810 27.33743
160.9631 28.45474
161.4452 28.85751
161.9274 28.92990
162.4095 28.92593
162.8916 28.91370
163.3737 29.05380
163.8558 29.91946
164.3379 32.40259
164.8201 34.46878
165.3022 35.62231
165.7843 36.22089
166.2664 36.71204
166.7485 37.36197
167.2306 38.14938
167.7128 38.91370
168.1949 39.53989
168.6770 40.26724
169.1591 41.19250
169.6412 42.29669
170.1233 43.46841
170.6055 44.55420
171.0876 45.55978
171.5697 46.76422
172.0518 48.33316
172.5339 49.89166
173.0160 51.29266
173.4982 52.51068
173.9803 53.54846
174.4624 54.35388
174.9445 54.95786
175.4266 55.72687
175.9087 56.76721
176.3909 57.88342
176.8730 58.93369
177.3551 59.91397
177.8372 60.74686
178.3193 61.23239
178.8014 61.49237
179.2836 61.86523
179.7657 62.63828
180.2478 63.49265
180.7299 63.92148
181.2120 63.81088
181.6941 63.54785
182.1763 63.27103
182.6584 63.03473
183.1405 62.97223
183.6226 63.26080
184.1047 63.77151
184.5868 64.09509
185.0690 64.23828
185.5511 64.13669
186.0332 63.61282
186.5153 62.86456
186.9974 62.27628
187.4795 62.18829
187.9617 62.55051
188.4438 62.63705
188.9259 62.11377
189.4080 61.64206
189.8901 61.50082
190.3722 61.58582
190.8544 61.64673
191.3365 61.48199
191.8186 61.08096
192.3007 60.61472
192.7828 60.17642
193.2649 59.59134
193.7471 58.66370
194.2292 57.50745
194.7113 56.42978
195.1934 55.75134
195.6755 55.57867
196.1576 55.10571
196.6398 54.21164
197.1219 53.20023
197.6040 52.12802
198.0861 51.04794
198.5682 50.07471
199.0503 49.35266
199.5325 48.95001
200.0146 48.36722
200.4967 47.73065
200.9788 46.84100
201.4609 45.41458
201.9430 43.46768
202.4252 41.48151
202.9073 39.95547
203.3894 38.95428
203.8715 37.71472
204.3536 35.91730
204.8357 34.03345
205.3179 32.56122
205.8000 31.57294
206.2821 30.68942
206.7642 29.43503
207.2463 27.90176
207.7284 26.73831
208.2106 26.62167
208.6927 26.74878
209.1748 25.83844
209.6569 23.52682
210.1390 21.08569
210.6211 19.69705
211.1033 19.03070
211.5854 18.36157
212.0675 17.31763
212.5496 16.09659
213.0317 15.17703
213.5138 14.71680
213.9960 14.27454
214.4781 13.56625
214.9602 12.66916
215.4423 11.72577
215.9244 10.78586
216.4065 9.854614
216.8886 8.951965
217.3708 7.980774
217.8529 7.203888
218.3350 6.849823
218.8171 6.739777
219.2992 6.534760
219.7813 6.000397
220.2635 5.186493
220.7456 4.435486
221.2277 3.793671
221.7098 3.170410
222.1919 2.497192
222.6740 1.824585
223.1562 1.236633
223.6383 0.8026120
224.1204 0.5122990
224.6025 0.2307130
225.0846 7.0800997E-02
225.5667 0.3247070
226.0489 0.5509950
226.5310 0.7168270
227.0131 0.7357790
227.4952 0.5133360
227.9773 8.3466001E-02
228.4594 1.0680000E-03
228.9416 0.7424930
229.4237 1.345642
229.9058 1.580811
230.3879 1.513855
230.8700 1.253510
231.3521 0.8409730
231.8343 0.3055420
232.3164 0.1379090
232.7985 0.8652340
233.2806 1.368652
233.7627 1.226471
234.2448 0.6389470
234.7270 2.7283000E-02
235.2091 0.3462520
235.6912 0.5050660
236.1733 0.6615600
236.6554 0.6709900
237.1375 0.8309940
237.6197 1.331970
238.1018 2.060028
238.5839 2.787476
239.0660 3.406189
239.5481 3.897247
240.0302 4.151184
240.5124 3.898285
240.9945 3.749023
241.4766 3.997131
241.9587 4.522369
242.4408 5.004974
242.9229 5.256561
243.4051 5.378326
243.8872 5.724030
244.3693 6.499603
244.8514 7.192749
245.3335 7.363068
245.8156 7.195160
246.2978 7.358215
246.7799 8.289795
247.2620 9.631958
247.7441 10.54480
248.2262 10.88144
248.7083 10.99826
249.1905 10.93167
249.6726 10.77518
250.1547 10.85721
250.6368 11.37210
251.1189 12.07013
251.6010 12.53229
252.0832 12.70242
252.5653 12.90924
253.0474 13.41296
253.5295 14.13852
254.0116 14.77545
254.4937 15.28891
254.9759 15.59445
255.4580 15.50943
255.9401 15.01114
256.4222 14.70328
256.9043 15.12308
257.3864 16.11795
257.8686 16.89948
258.3507 17.27841
258.8328 17.43576
259.3149 17.48343
259.7970 17.44269
260.2791 17.49847
260.7613 17.79111
261.2434 18.28909
261.7255 18.85806
262.2076 19.64819
262.6897 20.26685
263.1718 20.34946
263.6540 20.03644
264.1361 19.82535
264.6182 20.15268
265.1003 20.90579
265.5824 21.38852
266.0645 21.40390
266.5467 21.39734
267.0288 21.61258
267.5109 21.98193
267.9930 22.35721
268.4751 22.67401
268.9572 22.92697
269.4394 23.06067
269.9215 22.89737
270.4036 22.89825
270.8857 23.51804
271.3678 24.35040
271.8499 24.70276
272.3321 24.05243
272.8142 22.78287
273.2963 22.28616
273.7784 23.11414
274.2605 23.82083
274.7426 23.96942
275.2248 23.78867
275.7069 23.50098
276.1890 23.17950
276.6711 22.90598
277.1532 22.95135
277.6353 23.64679
278.1175 24.03058
278.5996 23.81171
279.0817 23.30630
279.5638 22.72070
280.0459 22.12927
280.5280 21.68814
281.0102 21.77563
281.4923 22.81528
281.9744 23.48795
282.4565 23.78992
282.9386 23.65308
283.4207 22.85663
283.9029 21.39886
284.3850 19.69858
284.8671 18.40231
285.3492 17.69806
285.8313 16.99802
286.3134 16.14902
286.7956 15.33261
287.2777 14.77512
287.7598 14.47095
288.2419 14.14023
288.7240 13.37952
289.2061 11.98206
289.6883 10.97415
290.1704 10.54895
290.6525 10.22873
291.1346 9.963257
291.6167 9.694427
292.0988 9.245117
292.5810 8.359283
293.0631 6.936371
293.5452 5.880310
294.0273 5.396698
294.5094 5.065674
294.9915 4.859894
295.4737 4.701508
295.9558 4.471497
296.4379 4.082703
296.9200 3.540466
297.4021 2.958679
297.8842 2.136139
298.3664 1.491486
298.8485 1.243591
299.3306 1.207031
299.8127 1.104675
300.2948 0.7794190
300.7769 0.2854310
301.2591 0.1625670
301.7412 0.7291560
302.2233 1.021271
302.7054 0.7193300
303.1875 0.2380370
303.6696 0.1116940
304.1518 0.5483090
304.6339 1.206604
305.1160 1.321350
305.5981 0.2232970
306.0802 0.4243470
306.5623 0.3174440
307.0445 5.1086001E-02
307.5266 0.3221130
308.0087 0.3919980
308.4908 0.3334350
308.9729 0.2394100
309.4550 7.6629996E-02
309.9372 3.4790002E-02
310.4193 7.0312999E-02
310.9014 8.5022002E-02
311.3835 8.4839001E-02
311.8656 8.7860003E-02
312.3477 0.1419680
312.8299 0.3027340
313.3120 0.5938110
313.7941 0.8475950
314.2762 1.067230
314.7583 1.253967
315.2404 1.354767
315.7226 1.418518
316.2047 1.565186
316.6868 1.875305
317.1689 2.323517
317.6510 2.841583
318.1331 3.674988
318.6153 4.319641
319.0974 4.546051
319.5795 4.549225
320.0616 4.645477
320.5437 4.987915
321.0258 5.433594
321.5080 5.578369
321.9901 4.928986
322.4722 4.622650
322.9543 5.014832
323.4364 5.635193
323.9185 6.004547
324.4007 5.967621
324.8828 5.740997
325.3649 5.700195
325.8470 5.968414
326.3291 6.177338
326.8112 6.345642
327.2934 6.463593
327.7755 6.426392
328.2576 6.279999
328.7397 6.280701
329.2218 6.774475
329.7039 7.962006
330.1861 8.652954
330.6682 8.451447
331.1503 8.201477
331.6324 8.243256
332.1145 8.544006
332.5966 8.929382
333.0788 9.282867
333.5609 9.599304
334.0430 9.793854
334.5251 9.685486
335.0072 9.646179
335.4893 9.815186
335.9715 10.08093
336.4536 10.26434
336.9357 10.26999
337.4178 10.17679
337.8999 10.23761
338.3820 10.71609
338.8642 10.94482
339.3463 10.71268
339.8284 10.32004
340.3105 10.01773
340.7926 9.879578
341.2747 9.837433
341.7568 9.789093
342.2390 9.716797
342.7211 9.683777
343.2032 9.786163
343.6853 9.844482
344.1674 9.725067
344.6495 9.449921
345.1317 9.156006
345.6138 8.981445
346.0959 8.937805
346.5780 8.821838
347.0601 8.517914
347.5422 8.252533
348.0244 8.108307
348.5065 8.045410
348.9886 8.004761
349.4707 7.967529
349.9528 7.896393
350.4349 7.614532
350.9171 6.848877
351.3992 6.300446
351.8813 6.267120
352.3634 6.408051
352.8455 6.353760
353.3276 5.977600
353.8098 5.493530
354.2919 5.300476
354.7740 5.554260
355.2561 5.619415
355.7382 5.250519
356.2203 4.813293
356.7025 4.484314
357.1846 4.293396
357.6667 4.207520
358.1488 4.249207
358.6309 4.423370
359.1130 4.426361
359.5952 4.025818
360.0773 3.700256
360.5594 3.771057
361.0415 4.098175
361.5236 4.360321
362.0057 4.368652
362.4879 4.165466
362.9700 3.910126
363.4521 3.636261
363.9342 3.354126
364.4163 2.957153
364.8984 2.574127
365.3806 2.395599
365.8627 2.521179
366.3448 2.715515
366.8269 2.619324
367.3090 2.189087
367.7911 1.874939
368.2733 1.819855
368.7554 1.887360
369.2375 1.994598
369.7196 2.126465
370.2017 2.259705
370.6838 2.431702
371.1660 2.609283
371.6481 2.636108
372.1302 2.511322
372.6123 2.219971
373.0944 1.574585
373.5765 0.7839660
374.0587 0.2692260
374.5408 0.2880860
375.0229 0.5702210
375.5050 0.7684330
375.9871 0.8910520
376.4692 0.8811040
376.9514 0.5391240
377.4335 0.1306150
377.9156 5.8502000E-02
378.3977 0.4415280
378.8798 0.9387210
379.3619 1.418457
379.8441 1.836487
380.3262 1.965668
380.8083 1.649658
381.2904 1.177979
381.7725 0.8555600
382.2546 0.6689760
382.7368 0.6808780
383.2189 1.079468
383.7010 1.620850
384.1831 1.920166
384.6652 1.925018
385.1473 1.939972
385.6295 2.213715
386.1116 2.721741
386.5937 3.213470
387.0758 3.813965
387.5579 4.275269
388.0400 4.302216
388.5222 4.032318
389.0043 3.968414
389.4864 4.398712
389.9685 5.083344
390.4506 5.387268
390.9327 5.112671
391.4149 4.981049
391.8970 5.104797
392.3791 5.464172
392.8612 6.146606
393.3433 7.149017
393.8254 8.139343
394.3076 8.707764
394.7897 8.740448
395.2718 8.941589
395.7539 9.472321
396.2360 10.00916
396.7181 10.31787
397.2003 10.46954
397.6824 10.70648
398.1645 11.19577
398.6466 11.87274
399.1287 12.42688
399.6108 12.82013
400.0930 13.12549
400.5751 13.24512
401.0572 13.32990
401.5393 13.60037
402.0214 14.10260
402.5035 14.61496
402.9857 14.79492
403.4678 14.51602
403.9499 14.26334
404.4320 14.05695
404.9141 13.85440
405.3962 13.62027
405.8784 13.36966
406.3605 13.17035
406.8426 13.11295
407.3247 13.13800
407.8068 12.79025
408.2889 11.71301
408.7711 10.77179
409.2532 10.24567
409.7353 9.900146
410.2174 9.481476
410.6995 8.902069
411.1816 8.254669
411.6638 7.679932
412.1459 7.203705
412.6280 6.666473
413.1101 5.970093
413.5922 5.273254
414.0743 4.678802
414.5565 4.173035
415.0386 3.667328
415.5207 3.107300
416.0028 2.502777
416.4849 1.857635
416.9670 1.105804
417.4492 0.4840090
417.9313 0.2760310
418.4134 0.2218630
418.8955 4.4006001E-02
419.3776 0.7046510
419.8597 1.367645
420.3419 1.625305
420.8240 1.514862
421.3061 1.375458
421.7882 1.267792
422.2703 1.213013
422.7524 1.263306
423.2346 1.415710
423.7167 1.523865
424.1988 1.493835
424.6809 1.408844
425.1630 1.401276
425.6451 1.484619
426.1273 1.535706
426.6094 1.452484
427.0915 1.257477
427.5736 1.101654
428.0557 1.094543
428.5378 1.009888
429.0200 0.5854190
429.5021 2.7222000E-02
429.9842 0.1683350
430.4663 0.2065730
430.9484 0.7801210
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