#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:42:18 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1243 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000653.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_1000653
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 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            R100170.rod
_rod_data_source.block           3500000
_rod_database.code               1000653
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
132.0675 0.0000000E+00
132.5496 0.7799070
133.0317 0.5152590
133.5138 6.7626998E-02
133.9959 0.8243410
134.4781 5.915771
134.9602 8.469849
135.4423 6.260986
135.9244 1.904419
136.4065 1.044800
136.8886 0.2044680
137.3708 4.074829
137.8529 6.883179
138.3350 6.430786
138.8171 6.185913
139.2992 6.983154
139.7813 8.648193
140.2635 10.61499
140.7456 12.40796
141.2277 14.00403
141.7098 15.66663
142.1919 16.96863
142.6740 18.65503
143.1561 21.76233
143.6383 26.09851
144.1204 29.84814
144.6025 30.74939
145.0846 28.14563
145.5667 27.46265
146.0488 30.38049
146.5310 34.65149
147.0131 38.18665
147.4952 40.72241
147.9773 42.05090
148.4594 40.78821
148.9415 37.45349
149.4237 35.40405
149.9058 37.01355
150.3879 40.93274
150.8700 43.37000
151.3521 43.38184
151.8342 42.10474
152.3164 40.37744
152.7985 38.27893
153.2806 36.39783
153.7627 35.53223
154.2448 35.73511
154.7269 35.06738
155.2091 32.01917
155.6912 28.88525
156.1733 26.84668
156.6554 25.97900
157.1375 25.66516
157.6196 25.03625
158.1018 23.65710
158.5839 23.22095
159.0660 25.14807
159.5481 27.01233
160.0302 26.89563
160.5123 24.47803
160.9945 21.23914
161.4766 19.78796
161.9587 21.06519
162.4408 22.98413
162.9229 27.37378
163.4050 31.48315
163.8871 31.85034
164.3693 27.26428
164.8514 20.53564
165.3335 18.61438
165.8156 26.02759
166.2977 31.93042
166.7798 34.12927
167.2620 34.35608
167.7441 35.42773
168.2262 38.79248
168.7083 43.20544
169.1904 44.89697
169.6725 42.48206
170.1547 40.50110
170.6368 41.23438
171.1189 43.98206
171.6010 46.31665
172.0831 47.00842
172.5652 46.71265
173.0474 46.97668
173.5295 48.09106
174.0116 49.20679
174.4937 48.75940
174.9758 46.73962
175.4579 47.31323
175.9401 55.65698
176.4222 66.52100
176.9043 73.64062
177.3864 75.37598
177.8685 74.32715
178.3506 73.00842
178.8328 71.53149
179.3149 71.11206
179.7970 73.19556
180.2791 76.04016
180.7612 78.30237
181.2433 79.91675
181.7255 81.32849
182.2076 82.41650
182.6897 83.05359
183.1718 83.03137
183.6539 82.00635
184.1360 80.73608
184.6181 79.95117
185.1003 80.02100
185.5824 80.69287
186.0645 81.07605
186.5466 80.77661
187.0287 80.65540
187.5108 80.77637
187.9930 81.14771
188.4751 81.79248
188.9572 82.72620
189.4393 83.92566
189.9214 85.30371
190.4035 87.24304
190.8857 88.78149
191.3678 89.58423
191.8499 89.91150
192.3320 90.08154
192.8141 90.26416
193.2962 90.49854
193.7784 91.13977
194.2605 92.99902
194.7426 94.31775
195.2247 93.92688
195.7068 92.36304
196.1889 91.28210
196.6711 91.89502
197.1532 93.70825
197.6353 94.21216
198.1174 92.61255
198.5995 90.56506
199.0816 88.89966
199.5638 87.56067
200.0459 86.23730
200.5280 84.85986
201.0101 83.29126
201.4922 81.30859
201.9743 78.68921
202.4565 75.86670
202.9386 73.10339
203.4207 70.39551
203.9028 67.95703
204.3849 66.35754
204.8670 64.96362
205.3492 62.80554
205.8313 59.39563
206.3134 55.58081
206.7955 52.40283
207.2776 49.95105
207.7597 47.73633
208.2419 46.16772
208.7240 44.47705
209.2061 41.55811
209.6882 36.56335
210.1703 31.18347
210.6524 28.71838
211.1346 30.52747
211.6167 31.75928
212.0988 30.96765
212.5809 28.89282
213.0630 25.86450
213.5451 21.86340
214.0273 17.63672
214.5094 15.05505
214.9915 15.34790
215.4736 15.10901
215.9557 13.08105
216.4378 10.53918
216.9200 8.973999
217.4021 9.099854
217.8842 10.01086
218.3663 9.071289
218.8484 4.373169
219.3305 0.5200200
219.8127 1.909058
220.2948 3.322021
220.7769 4.051880
221.2590 4.247314
221.7411 4.060181
222.2232 3.950073
222.7054 4.524048
223.1875 4.390869
223.6696 3.037964
224.1517 1.095215
224.6338 0.9371340
225.1159 2.854614
225.5980 4.352173
226.0802 4.511841
226.5623 1.500122
227.0444 0.6987300
227.5265 1.523926
228.0086 1.454834
228.4907 0.8823240
228.9729 7.5684004E-02
229.4550 1.059570
229.9371 1.032471
230.4192 1.013672
230.9013 2.433472
231.3834 2.763916
231.8656 2.237061
232.3477 1.180420
232.8298 0.2839360
233.3119 2.213379
233.7940 5.037109
234.2761 9.490723
234.7583 12.87329
235.2404 14.04785
235.7225 13.76807
236.2046 13.08716
236.6867 12.07837
237.1688 11.46362
237.6510 12.89844
238.1331 16.63330
238.6152 20.07446
239.0973 22.34790
239.5794 23.71509
240.0615 24.51001
240.5437 24.49707
241.0258 24.64746
241.5079 26.50513
241.9900 30.03784
242.4721 33.43579
242.9542 36.23682
243.4364 38.34790
243.9185 39.15527
244.4006 37.70044
244.8827 36.51978
245.3648 38.85547
245.8469 44.19336
246.3290 48.70410
246.8112 49.61230
247.2933 48.18286
247.7754 48.47388
248.2575 51.62280
248.7396 55.42041
249.2217 58.07642
249.7039 59.75757
250.1860 61.33594
250.6681 63.94873
251.1502 67.01440
251.6323 67.93799
252.1144 64.85815
252.5966 62.55005
253.0787 64.41772
253.5608 69.02344
254.0429 73.16919
254.5250 74.35254
255.0071 73.53979
255.4893 74.69775
255.9714 78.98315
256.4535 83.57471
256.9356 87.84399
257.4177 91.43994
257.8998 93.60156
258.3820 93.22241
258.8641 91.40723
259.3462 92.40479
259.8283 98.72388
260.3104 103.7156
260.7925 104.8386
261.2747 103.7312
261.7568 102.4080
262.2389 101.7588
262.7210 101.7126
263.2031 102.1599
263.6852 103.6252
264.1674 104.6677
264.6495 104.4751
265.1316 103.9482
265.6137 104.0693
266.0958 105.2754
266.5779 107.2051
267.0601 109.0818
267.5422 111.2085
268.0243 112.6731
268.5064 112.8125
268.9885 112.6384
269.4706 113.0000
269.9528 114.2029
270.4349 116.0183
270.9170 118.2266
271.3991 121.8674
271.8812 123.6873
272.3633 122.0381
272.8455 119.7178
273.3276 119.0166
273.8097 120.4111
274.2918 122.5784
274.7739 123.4216
275.2560 121.8953
275.7382 121.2817
276.2202 122.1841
276.7024 123.2817
277.1845 123.6389
277.6666 123.1145
278.1487 122.4421
278.6308 122.6042
279.1129 124.2175
279.5951 124.6145
280.0772 123.2275
280.5593 121.2974
281.0414 119.1011
281.5235 117.0010
282.0056 115.6921
282.4878 116.0364
282.9699 118.4626
283.4520 118.7329
283.9341 115.3540
284.4162 111.5586
284.8983 108.3142
285.3805 105.7600
285.8626 103.9199
286.3447 102.9939
286.8268 102.9719
287.3089 100.9465
287.7910 94.07812
288.2732 88.23657
288.7553 86.16333
289.2374 86.42285
289.7195 86.21240
290.2016 83.86816
290.6837 79.66748
291.1659 74.84155
291.6480 68.28638
292.1301 62.36572
292.6122 57.01880
293.0943 52.58276
293.5764 50.00000
294.0586 49.77026
294.5407 50.60913
295.0228 49.03296
295.5049 42.05029
295.9870 36.21167
296.4691 31.61426
296.9513 28.33496
297.4334 27.03174
297.9155 27.83008
298.3976 29.20020
298.8797 28.53027
299.3618 24.33130
299.8440 20.71313
300.3261 17.81494
300.8082 15.41162
301.2903 13.41431
301.7724 11.76758
302.2545 10.26709
302.7367 8.685303
303.2188 7.024658
303.7009 5.196533
304.1830 2.848877
304.6651 0.6101070
305.1472 1.369141
305.6294 2.956787
306.1115 3.718994
306.5936 3.125488
307.0757 1.056152
307.5578 7.8130001E-03
308.0399 0.2058110
308.5221 0.9775390
309.0042 2.449219
309.4863 4.296143
309.9684 5.873535
310.4505 6.835449
310.9326 7.124512
311.4148 6.267090
311.8969 3.014648
312.3790 0.2199710
312.8611 1.321289
313.3432 1.991943
313.8253 2.382324
314.3075 2.742432
314.7896 3.103027
315.2717 3.558594
315.7538 4.791992
316.2359 5.145264
316.7180 2.593262
317.2001 6.2987998E-02
317.6823 1.026611
318.1644 6.859863
318.6465 14.07031
319.1286 17.50391
319.6107 14.67773
320.0928 13.77368
320.5750 16.53931
321.0571 19.93286
321.5392 21.15967
322.0213 20.15015
322.5034 19.39404
322.9855 21.61255
323.4677 27.51025
323.9498 31.10840
324.4319 30.42017
324.9140 29.63599
325.3961 30.99829
325.8782 34.12964
326.3604 37.47095
326.8425 39.98560
327.3246 41.71899
327.8067 43.12769
328.2888 44.26636
328.7709 45.12500
329.2531 45.65771
329.7352 45.93457
330.2173 45.99487
330.6994 45.84277
331.1815 45.63477
331.6636 45.78735
332.1458 45.47339
332.6279 46.67725
333.1100 50.97266
333.5921 56.05396
334.0742 59.57520
334.5563 60.88599
335.0385 61.13965
335.5206 62.00708
336.0027 63.96802
336.4848 65.25830
336.9669 65.31616
337.4490 65.21924
337.9312 65.72900
338.4133 66.82910
338.8954 67.98291
339.3775 68.70312
339.8596 68.96606
340.3417 69.02832
340.8239 68.95752
341.3060 68.63989
341.7881 67.59351
342.2702 66.27490
342.7523 65.64722
343.2344 66.35254
343.7166 68.07593
344.1987 69.28394
344.6808 68.97949
345.1629 69.29663
345.6450 70.95508
346.1271 73.11328
346.6093 75.14600
347.0914 76.75464
347.5735 77.49683
348.0556 76.37720
348.5377 72.02783
349.0198 68.22998
349.5020 64.42529
349.9841 61.50464
350.4662 60.81763
350.9483 62.06860
351.4304 63.21387
351.9125 61.78369
352.3947 57.14160
352.8768 54.22827
353.3589 54.85205
353.8410 55.39014
354.3231 54.01660
354.8052 51.56641
355.2874 50.08301
355.7695 51.13843
356.2516 54.10522
356.7337 55.44092
357.2158 54.37939
357.6979 52.52905
358.1800 49.67090
358.6621 46.45947
359.1443 43.48804
359.6264 40.98096
360.1085 39.02051
360.5906 37.82642
361.0727 37.68750
361.5548 37.59644
362.0370 37.57861
362.5191 37.46655
363.0012 37.39062
363.4833 37.21411
363.9654 36.26172
364.4475 33.30957
364.9297 28.21289
365.4118 25.04004
365.8939 25.02173
366.3760 25.51782
366.8581 25.69727
367.3402 25.50073
367.8224 25.04077
368.3045 24.57349
368.7866 23.95532
369.2687 22.77783
369.7508 21.24463
370.2329 19.03467
370.7151 14.39648
371.1972 9.634033
371.6793 7.315918
372.1614 8.376221
372.6435 10.66089
373.1256 11.54102
373.6078 10.91040
374.0899 10.50049
374.5720 11.14282
375.0541 11.91284
375.5362 11.81592
376.0183 10.85864
376.5005 10.16772
376.9826 11.08838
377.4647 12.95435
377.9468 13.25220
378.4289 11.10229
378.9110 9.069336
379.3932 9.370361
379.8753 11.05737
380.3574 12.22168
380.8395 12.08276
381.3216 11.21045
381.8037 9.696777
382.2859 7.535889
382.7680 7.100342
383.2501 10.65161
383.7322 15.63501
384.2143 17.95581
384.6964 17.01318
385.1786 15.30518
385.6607 13.83325
386.1428 12.71387
386.6249 11.91333
387.1070 11.15234
387.5891 11.15137
388.0713 13.84277
388.5534 18.94043
389.0355 22.13232
389.5176 20.20947
389.9997 17.44775
390.4818 19.08032
390.9640 25.20337
391.4461 30.21680
391.9282 29.72119
392.4103 24.96948
392.8924 23.15527
393.3745 27.17529
393.8567 30.67041
394.3388 29.85620
394.8209 26.88574
395.3030 25.99585
395.7851 28.81226
396.2672 33.97485
396.7494 39.29810
397.2315 45.05298
397.7136 50.16748
398.1957 55.21191
398.6778 59.21411
399.1599 60.84424
399.6420 60.29370
400.1241 59.29663
400.6063 59.26782
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402.0526 67.06519
402.5347 71.34180
403.0168 74.28760
403.4990 76.23047
403.9811 77.85889
404.4632 79.51660
404.9453 80.80566
405.4274 80.69019
405.9095 78.54565
406.3917 75.96851
406.8738 72.13696
407.3559 68.59155
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408.3201 66.92310
408.8022 66.84595
409.2844 64.72925
409.7665 60.42188
410.2486 56.36768
410.7307 52.44092
411.2128 48.91382
411.6949 45.61011
412.1771 42.78662
412.6592 41.13452
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413.6234 41.82397
414.1055 39.50732
414.5876 32.80615
415.0698 27.76245
415.5519 27.73608
416.0340 28.59839
416.5161 27.23706
416.9982 23.40332
417.4803 19.72314
417.9625 19.10742
418.4446 20.94141
418.9267 20.55786
419.4088 16.21948
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420.3730 12.23926
420.8552 14.54370
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421.8194 14.45410
422.3015 12.19238
422.7836 11.67798
423.2657 12.87329
423.7479 12.76538
424.2300 9.531494
424.7121 4.884033
425.1942 1.301514
425.6763 1.294434
426.1584 2.516602
426.6406 1.256348
427.1227 1.233887
427.6048 2.750000
428.0869 2.894043
428.5690 2.736328
429.0511 3.322754
429.5333 4.642578
430.0154 5.314453
430.4975 5.609863
430.9796 4.996826
431.4617 2.285645
431.9438 1.619629
432.4260 4.281250
432.9081 4.417725
433.3902 3.166504
433.8723 3.264160
434.3544 6.848633
434.8365 8.210938
435.3187 4.862549
435.8008 0.7678220
436.2829 0.5119630
436.7650 1.195313
437.2471 3.541748
437.7292 4.345215
438.2114 3.564941
438.6935 2.940918
439.1756 1.881104
439.6577 1.629883
440.1398 3.728516
440.6219 6.390137
441.1040 6.793213
441.5862 3.756104
442.0683 0.5407710
442.5504 1.979736
443.0325 0.3422850
443.5146 2.700684
443.9967 5.984619
444.4789 8.195068
444.9610 7.446533
445.4431 4.409912
445.9252 1.725830
446.4073 1.812012
446.8894 3.686035
447.3716 3.335693
447.8537 9.3993999E-02
448.3358 3.592041
448.8179 6.368652
449.3000 8.273193
449.7821 8.600098
450.2643 6.764648
450.7464 5.402588
451.2285 7.320068
451.7106 11.86914
452.1927 15.72632
452.6748 18.04395
453.1570 19.88647
453.6391 22.63403
454.1212 25.98950
454.6033 28.30371
455.0854 27.67090
455.5675 26.95508
456.0497 29.31104
456.5318 34.26953
457.0139 38.62500
457.4960 40.53003
457.9781 41.07642
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