#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:40:12 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1211 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000625.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_1000625
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        R050104
_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            R050104.rod
_rod_data_source.block           3500000
_rod_database.code               1000625
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
139.4189 0.0000000E+00
139.9010 0.9556880
140.3831 0.8727420
140.8652 0.1301270
141.3473 0.3511350
141.8294 9.2770001E-03
142.3116 0.7567140
142.7937 1.888306
143.2758 3.237854
143.7579 4.331238
144.2400 4.704712
144.7221 5.228271
145.2043 5.944397
145.6864 6.888000
146.1685 8.102722
146.6506 9.641357
147.1327 11.47791
147.6148 13.33752
148.0969 15.23621
148.5791 17.13391
149.0612 18.98163
149.5433 20.79596
150.0254 22.71362
150.5075 24.91040
150.9896 27.32928
151.4718 29.39813
151.9539 30.64441
152.4360 31.79852
152.9181 33.66779
153.4002 36.36658
153.8823 39.14026
154.3645 41.30603
154.8466 43.06909
155.3287 44.74091
155.8108 46.40845
156.2929 48.05182
156.7750 49.56091
157.2572 50.68781
157.7393 52.13947
158.2214 54.40497
158.7035 57.26227
159.1856 60.23608
159.6677 63.11359
160.1499 65.89764
160.6320 68.46893
161.1141 70.48901
161.5962 72.60620
162.0783 75.05634
162.5604 77.82281
163.0426 80.77771
163.5247 83.87518
164.0068 87.18719
164.4889 90.20166
164.9710 92.93915
165.4531 95.42090
165.9353 97.55286
166.4174 99.38397
166.8995 101.1306
167.3816 103.0441
167.8637 105.2253
168.3458 107.3497
168.8279 109.5385
169.3101 111.5988
169.7922 113.2874
170.2743 114.5791
170.7564 115.7646
171.2385 117.3298
171.7206 119.6508
172.2028 121.4093
172.6849 122.2330
173.1670 122.5711
173.6491 122.8759
174.1312 123.2594
174.6133 123.7401
175.0955 124.5487
175.5776 125.9078
176.0597 126.5406
176.5418 125.4109
177.0239 123.2905
177.5060 122.1104
177.9882 123.0218
178.4703 124.4067
178.9524 123.7482
179.4345 121.0161
179.9166 118.2110
180.3987 115.8067
180.8809 113.8718
181.3630 112.3356
181.8451 111.1304
182.3272 110.4736
182.8093 110.4865
183.2914 111.0391
183.7736 110.9549
184.2557 109.2258
184.7378 105.1890
185.2199 101.4868
185.7020 99.32977
186.1841 97.41443
186.6663 95.16833
187.1484 92.56592
187.6305 89.76013
188.1126 86.83539
188.5947 83.82800
189.0768 80.98474
189.5589 78.34027
190.0411 75.83875
190.5232 73.36047
191.0053 70.89001
191.4874 68.58594
191.9695 66.78174
192.4516 66.05249
192.9338 64.89319
193.4159 62.93817
193.8980 60.71539
194.3801 58.58301
194.8622 56.68311
195.3443 55.09906
195.8265 54.01825
196.3086 54.66675
196.7907 54.35339
197.2728 52.15381
197.7549 49.31042
198.2370 47.39307
198.7192 47.07599
199.2013 47.76398
199.6834 47.83307
200.1655 47.05084
200.6476 46.01874
201.1297 44.70575
201.6119 43.21497
202.0940 41.70679
202.5761 40.24164
203.0582 38.83014
203.5403 37.53003
204.0224 36.42462
204.5046 35.24530
204.9867 33.89624
205.4688 32.40759
205.9509 30.81464
206.4330 29.07678
206.9151 27.33142
207.3973 25.77240
207.8794 24.30896
208.3615 23.23242
208.8436 23.07684
209.3257 23.63391
209.8078 23.65759
210.2899 22.51605
210.7721 20.71411
211.2542 18.94159
211.7363 17.18951
212.2184 15.58929
212.7005 14.29871
213.1826 13.31561
213.6648 12.40918
214.1469 11.70514
214.6290 10.89575
215.1111 9.678894
215.5932 7.988403
216.0753 6.130615
216.5575 4.243408
217.0396 2.237061
217.5217 0.8392330
218.0038 0.9912110
218.4859 1.360352
218.9680 1.054138
219.4502 9.8572001E-02
219.9323 1.462341
220.4144 2.173218
220.8965 1.989929
221.3786 1.957520
221.8607 2.383057
222.3429 2.878906
222.8250 3.162903
223.3071 3.187195
223.7892 3.156677
224.2713 3.431335
224.7534 4.286743
225.2356 4.774475
225.7177 4.787476
226.1998 4.528442
226.6819 3.942505
227.1640 3.095276
227.6461 2.329895
228.1283 2.270264
228.6104 3.657959
229.0925 4.316589
229.5746 3.846252
230.0567 3.044006
230.5388 2.471008
231.0210 2.258240
231.5031 2.165344
231.9852 1.823853
232.4673 1.079163
232.9494 0.3796390
233.4315 0.2636110
233.9137 0.8679200
234.3958 1.324280
234.8779 1.649780
235.3600 2.153259
235.8421 3.312378
236.3242 5.607605
236.8064 7.445313
237.2885 8.670837
237.7706 9.553711
238.2527 10.31030
238.7348 10.99011
239.2169 11.51648
239.6991 11.74359
240.1812 11.52710
240.6633 11.54572
241.1454 11.55078
241.6275 11.94977
242.1096 13.42151
242.5918 16.05908
243.0739 18.82513
243.5560 20.49371
244.0381 20.96478
244.5202 21.28748
245.0023 21.21277
245.4845 21.20850
245.9666 21.86182
246.4487 23.27716
246.9308 24.89355
247.4129 26.15955
247.8950 27.12042
248.3772 28.16455
248.8593 29.56036
249.3414 30.96698
249.8235 31.89246
250.3056 32.24799
250.7877 32.56604
251.2698 33.32550
251.7520 34.40796
252.2341 35.47931
252.7162 36.41199
253.1983 37.32385
253.6804 38.48822
254.1625 40.01886
254.6447 41.19788
255.1268 41.05219
255.6089 40.25793
256.0910 40.01526
256.5731 40.84991
257.0552 42.22546
257.5374 43.42719
258.0195 44.40546
258.5016 45.47412
258.9837 47.19531
259.4658 49.01245
259.9479 50.11731
260.4301 49.89105
260.9122 49.43311
261.3943 50.37378
261.8764 53.01105
262.3585 55.66107
262.8406 57.80920
263.3228 59.50049
263.8049 60.57965
264.2870 60.86957
264.7691 60.96887
265.2512 61.60236
265.7333 62.79193
266.2155 64.41718
266.6976 67.20050
267.1797 70.00452
267.6618 71.89349
268.1439 72.61603
268.6260 72.87726
269.1082 73.48419
269.5903 74.47919
270.0724 75.61304
270.5545 76.75458
271.0366 78.08167
271.5187 79.94629
272.0009 82.33997
272.4830 84.55444
272.9651 85.60272
273.4472 85.19183
273.9293 85.27539
274.4114 86.34973
274.8936 87.76099
275.3757 89.46783
275.8578 91.36981
276.3399 93.08374
276.8220 94.27234
277.3041 94.89868
277.7863 94.82800
278.2684 92.90216
278.7505 91.36090
279.2326 91.37018
279.7147 92.58160
280.1968 93.80566
280.6789 94.06500
281.1610 93.35974
281.6432 92.39471
282.1253 90.54523
282.6074 88.96881
283.0895 88.23230
283.5716 88.11066
284.0537 88.12305
284.5359 88.04657
285.0180 87.83606
285.5001 86.75281
285.9822 83.86108
286.4643 80.89191
286.9464 78.05597
287.4286 75.58136
287.9107 73.83081
288.3928 73.08118
288.8749 72.92810
289.3570 71.62952
289.8391 67.86426
290.3213 64.68707
290.8034 62.96423
291.2855 61.89026
291.7676 60.52771
292.2497 58.44135
292.7318 55.87646
293.2140 53.48041
293.6961 51.38007
294.1782 49.27710
294.6603 47.13068
295.1424 44.96204
295.6245 42.72949
296.1067 40.44159
296.5888 38.24945
297.0709 36.42346
297.5530 35.19617
298.0351 33.92682
298.5172 32.40430
298.9994 30.98834
299.4815 29.97986
299.9636 29.39563
300.4457 28.96820
300.9278 28.38538
301.4099 27.66229
301.8921 26.71008
302.3742 24.90118
302.8563 23.42383
303.3384 23.20935
303.8205 24.02301
304.3026 24.80023
304.7848 24.50751
305.2669 23.00604
305.7490 21.85992
306.2311 20.69495
306.7132 20.22308
307.1953 21.18665
307.6775 23.06012
308.1596 24.72748
308.6417 25.38916
309.1238 25.16559
309.6059 25.21289
310.0880 25.64075
310.5702 26.26282
311.0523 27.16022
311.5344 28.22119
312.0165 29.32324
312.4986 30.40131
312.9807 31.41730
313.4629 32.29474
313.9450 32.83246
314.4271 33.42236
314.9092 34.12115
315.3913 34.91437
315.8734 35.84570
316.3556 36.93030
316.8377 38.03210
317.3198 38.85541
317.8019 38.98444
318.2840 39.49664
318.7661 40.77747
319.2483 42.17999
319.7304 43.05444
320.2125 43.39050
320.6946 43.85992
321.1767 45.33179
321.6588 48.19342
322.1409 50.31171
322.6230 51.45856
323.1052 52.29236
323.5873 53.03540
324.0694 53.73328
324.5515 54.36157
325.0336 54.90717
325.5157 55.36938
325.9979 55.78137
326.4800 56.07056
326.9621 56.39349
327.4442 56.91132
327.9263 57.47418
328.4084 57.83258
328.8906 57.84247
329.3727 57.55804
329.8548 57.16919
330.3369 56.26068
330.8190 55.81335
331.3011 56.32709
331.7833 57.14667
332.2654 57.58270
332.7475 57.38544
333.2296 56.84363
333.7117 56.54907
334.1938 56.96857
334.6760 56.69098
335.1581 54.90234
335.6402 53.08331
336.1223 52.49811
336.6044 53.16071
337.0865 53.91797
337.5687 53.36981
338.0508 51.14136
338.5329 49.39929
339.0150 48.54102
339.4971 47.77942
339.9792 46.89929
340.4614 45.86249
340.9435 44.63489
341.4256 43.13611
341.9077 41.41901
342.3898 40.13892
342.8719 39.80176
343.3541 39.33948
343.8362 38.38489
344.3183 37.21759
344.8004 36.28229
345.2825 35.81586
345.7646 35.55292
346.2468 34.79279
346.7289 33.32062
347.2110 31.71539
347.6931 29.59192
348.1752 27.66583
348.6573 26.67987
349.1395 26.75476
349.6216 27.18225
350.1037 27.00690
350.5858 26.06726
351.0679 25.14740
351.5500 24.70093
352.0322 23.92596
352.5143 22.05096
352.9964 19.37469
353.4785 17.01062
353.9606 16.07910
354.4427 16.48834
354.9249 16.18951
355.4070 14.59430
355.8891 13.01880
356.3712 11.94598
356.8533 11.19226
357.3354 10.43506
357.8176 9.498291
358.2997 8.486877
358.7818 7.643616
359.2639 6.948486
359.7460 6.471863
360.2281 6.453918
360.7103 6.524597
361.1924 6.442627
361.6745 6.149902
362.1566 5.512146
362.6387 3.978271
363.1208 1.361145
363.6029 2.2095000E-02
364.0851 1.751892
364.5672 3.597595
365.0493 3.450928
365.5314 1.529846
366.0135 0.4085080
366.4956 1.036865
366.9778 0.6284790
367.4599 0.4285280
367.9420 0.5024410
368.4241 0.7349850
368.9062 1.204346
369.3883 1.753479
369.8705 2.114258
370.3526 2.215149
370.8347 2.025757
371.3168 1.362854
371.7989 0.1347660
372.2810 0.6961060
372.7632 0.5194700
373.2453 0.1666260
373.7274 0.8657840
374.2095 1.582703
374.6916 2.059021
375.1737 1.860962
375.6559 1.166992
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376.6201 1.633545
377.1022 2.512939
377.5843 2.987793
378.0664 3.077148
378.5486 2.627869
379.0307 1.027222
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379.9949 1.805176
380.4770 1.481812
380.9591 0.9870000
381.4413 0.9790040
381.9234 1.422852
382.4055 2.114197
382.8876 3.590210
383.3697 4.830139
383.8518 4.894836
384.3340 4.069519
384.8161 3.470276
385.2982 3.568054
385.7803 4.195007
386.2624 4.956177
386.7445 5.692139
387.2267 6.808960
387.7088 8.988708
388.1909 11.45959
388.6730 12.91241
389.1551 13.07904
389.6372 12.90674
390.1194 13.40265
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392.0478 14.66962
392.5299 15.03552
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393.4942 17.19580
393.9763 18.18579
394.4584 18.98462
394.9405 19.38452
395.4226 18.94415
395.9048 18.67657
396.3869 18.69843
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397.3511 19.63983
397.8332 20.65417
398.3153 21.68616
398.7975 22.16577
399.2796 21.75238
399.7617 21.66968
400.2438 22.18457
400.7259 22.74982
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402.6544 22.31946
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403.6186 19.84973
404.1007 20.35779
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408.9219 23.52795
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409.8861 21.33350
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411.3325 17.76147
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415.1894 13.07312
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417.1179 10.56012
417.6000 9.933899
418.0821 9.217590
418.5642 8.193848
419.0463 6.865173
419.5284 5.733887
420.0106 5.094543
420.4927 4.838501
420.9748 4.793579
421.4569 4.987610
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422.4211 5.069641
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423.3854 4.809570
423.8675 5.707581
424.3496 6.299988
424.8317 5.316101
425.3138 3.246277
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428.6887 0.5935670
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430.1350 0.7941890
430.6171 0.5548100
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432.0635 2.367737
432.5456 1.641602
433.0277 0.8332520
433.5098 0.2106320
433.9919 0.2808230
434.4741 0.7982180
434.9562 1.407776
435.4383 1.975952
435.9204 2.222351
436.4025 1.783081
436.8846 1.585999
437.3668 2.108459
437.8489 2.527893
438.3310 2.159790
438.8131 1.131348
439.2952 0.1083370
439.7773 0.3695680
440.2595 0.3444820
440.7416 0.2254030
441.2237 5.6823999E-02
441.7058 0.3380740
442.1879 0.5275880
442.6700 0.7132570
443.1522 1.157227
443.6343 1.965210
444.1164 2.492859
444.5985 1.485901
445.0806 1.258911
445.5627 2.747620
446.0448 1.670471
446.5269 0.1572880
447.0091 0.4714970
447.4912 0.3266600
447.9733 3.2166000E-02
448.4554 0.4103390
448.9375 0.7937620
449.4196 1.144775
449.9018 1.455872
450.3839 1.810059
450.8660 2.365295
451.3481 2.914124
451.8302 3.022705
452.3123 2.427612
452.7945 2.119568
453.2766 2.673340
453.7587 3.865112
454.2408 5.298340
454.7229 6.903748
455.2050 8.653809
455.6872 10.73883
456.1693 13.17639
456.6514 14.47937
457.1335 13.40015
457.6156 12.34112
458.0977 12.66846
458.5799 14.12897
459.0620 15.98334
459.5441 17.89551
460.0262 19.85895
460.5083 21.82166
460.9904 23.86108
461.4726 25.77222
461.9547 27.38715
462.4368 29.00189
462.9189 30.67657
463.4010 32.51837
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