#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:53:16 +0300 (Thu, 07 Jun 2018) $
#$Revision: 990 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000447.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_1000447
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 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            R060082.rod
_rod_data_source.block           3500000
_rod_database.code               1000447
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
137.6187 0.0000000E+00
138.1008 0.4559480
138.5829 0.4716950
139.0650 0.1998900
139.5472 8.9752004E-02
140.0293 6.2652998E-02
140.5114 0.1696010
140.9935 0.3247380
141.4756 0.2053070
141.9577 0.2005000
142.4399 0.8724210
142.9220 1.774460
143.4041 2.953262
143.8862 4.257889
144.3683 5.622772
144.8504 7.058334
145.3326 8.474792
145.8147 9.771393
146.2968 10.98404
146.7789 12.42178
147.2610 14.28699
147.7431 16.21449
148.2253 17.92223
148.7074 19.22063
149.1895 20.56149
149.6716 22.06456
150.1537 23.78244
150.6358 25.21577
151.1180 26.16368
151.6001 26.90254
152.0822 27.70270
152.5643 28.38759
153.0464 29.28673
153.5285 30.53317
154.0107 32.23346
154.4928 33.77049
154.9749 35.08244
155.4570 36.22847
155.9391 37.28906
156.4212 38.02945
156.9034 38.91219
157.3855 40.11133
157.8676 41.69730
158.3497 43.39958
158.8318 45.16174
159.3139 47.02640
159.7961 49.08084
160.2782 51.37228
160.7603 53.86250
161.2424 56.57999
161.7245 59.65355
162.2066 62.64760
162.6888 65.27304
163.1709 67.69987
163.6530 70.31155
164.1351 73.23413
164.6172 76.39301
165.0993 79.76108
165.5815 83.43637
166.0636 87.12723
166.5457 90.65512
167.0278 94.08273
167.5099 97.62355
167.9921 101.5479
168.4742 105.5504
168.9563 109.3463
169.4384 112.7584
169.9205 116.1087
170.4026 119.6500
170.8848 123.3489
171.3669 126.9915
171.8490 130.5294
172.3311 133.9246
172.8132 137.1152
173.2953 139.9698
173.7775 142.7622
174.2596 145.9566
174.7417 149.4729
175.2238 152.6007
175.7059 154.6363
176.1880 155.9562
176.6702 157.1384
177.1523 158.3853
177.6344 159.5780
178.1165 160.6788
178.5986 161.6818
179.0807 162.3086
179.5629 162.2339
180.0450 161.6048
180.5271 160.7764
181.0092 159.8703
181.4913 158.9283
181.9734 157.9988
182.4556 156.9609
182.9377 155.5677
183.4198 153.3266
183.9019 150.4480
184.3840 147.6820
184.8661 145.1543
185.3483 142.7585
185.8304 140.2957
186.3125 137.7877
186.7946 135.2132
187.2767 132.0392
187.7588 128.4189
188.2409 125.1600
188.7231 122.7772
189.2052 121.0025
189.6873 118.7457
190.1694 115.9133
190.6515 112.9777
191.1336 110.3650
191.6158 108.0898
192.0979 106.3537
192.5800 105.4177
193.0621 105.1688
193.5442 104.9665
194.0263 104.9263
194.5085 104.5648
194.9906 102.9851
195.4727 100.1140
195.9548 97.20663
196.4369 94.76094
196.9190 92.75856
197.4012 90.98065
197.8833 89.49228
198.3654 88.07104
198.8475 86.38638
199.3296 84.40807
199.8117 82.43063
200.2939 80.54755
200.7760 78.76425
201.2581 77.20177
201.7402 75.99805
202.2223 74.81601
202.7044 72.95673
203.1866 70.31950
203.6687 67.68495
204.1508 65.41534
204.6329 63.54083
205.1150 61.74197
205.5971 60.06934
206.0793 58.40967
206.5614 56.47740
207.0435 54.20348
207.5256 52.00755
208.0077 50.09663
208.4898 48.50684
208.9720 46.98729
209.4541 45.58936
209.9362 44.20450
210.4183 42.54439
210.9004 40.49495
211.3825 38.52594
211.8647 36.92073
212.3468 35.83745
212.8289 34.32050
213.3110 32.14154
213.7931 29.66693
214.2752 27.86414
214.7574 27.03699
215.2395 26.10876
215.7216 24.46756
216.2037 21.81595
216.6858 19.65720
217.1679 18.15630
217.6501 17.05899
218.1322 15.78329
218.6143 14.22179
219.0964 12.67926
219.5785 11.34761
220.0606 10.30693
220.5428 9.154587
221.0249 7.837692
221.5070 6.437546
221.9891 5.181442
222.4712 4.075012
222.9533 3.072784
223.4355 2.194824
223.9176 1.479202
224.3997 0.7172390
224.8818 0.1872560
225.3639 1.099518
225.8460 1.711105
226.3282 1.894440
226.8103 1.986420
227.2924 2.118393
227.7745 2.311707
228.2566 2.491928
228.7387 2.636932
229.2209 2.776306
229.7030 2.992218
230.1851 3.383041
230.6672 3.691895
231.1493 3.810257
231.6314 3.693665
232.1136 3.501785
232.5957 3.239487
233.0778 2.898163
233.5599 2.434387
234.0420 1.702805
234.5241 1.086792
235.0063 0.8012540
235.4884 1.078949
235.9705 1.010590
236.4526 0.4595030
236.9347 0.3744050
237.4168 1.063507
237.8990 1.442261
238.3811 1.933670
238.8632 2.728592
239.3453 3.979446
239.8274 5.060471
240.3095 5.877090
240.7917 6.578903
241.2738 7.472000
241.7559 8.723038
242.2380 9.888809
242.7201 10.73189
243.2022 11.03191
243.6844 11.81691
244.1665 13.37242
244.6486 15.25455
245.1307 16.68338
245.6128 17.46239
246.0949 18.11440
246.5771 18.71989
247.0592 19.14211
247.5413 20.10043
248.0234 21.82892
248.5055 23.92657
248.9876 25.74373
249.4697 27.18884
249.9519 28.52826
250.4340 29.73874
250.9161 30.69170
251.3982 32.26018
251.8803 34.78845
252.3624 37.64551
252.8446 39.90401
253.3267 41.36911
253.8088 42.66399
254.2909 43.98906
254.7730 45.39702
255.2551 46.40262
255.7373 46.73442
256.2194 46.93941
256.7015 47.69615
257.1836 49.21182
257.6657 50.81877
258.1479 52.36285
258.6300 53.82005
259.1121 55.35789
259.5942 57.04558
260.0763 58.72577
260.5584 60.27467
261.0406 61.64644
261.5227 62.95770
262.0048 64.21513
262.4869 65.41144
262.9690 66.66772
263.4511 67.97603
263.9333 69.35187
264.4154 70.81281
264.8975 72.39603
265.3796 74.03078
265.8617 75.81709
266.3438 77.69489
266.8260 79.06842
267.3081 79.70724
267.7902 80.26361
268.2723 81.35281
268.7544 83.20242
269.2365 84.74255
269.7187 85.68008
270.2008 86.17715
270.6829 87.12611
271.1650 88.64670
271.6471 90.31303
272.1292 91.79092
272.6114 93.06281
273.0935 94.24402
273.5756 95.33055
274.0577 96.32426
274.5398 97.28296
275.0219 98.22556
275.5041 99.02594
275.9862 99.50233
276.4683 99.58325
276.9504 99.99109
277.4325 100.9601
277.9146 102.1429
278.3968 102.5536
278.8788 102.0482
279.3610 101.5202
279.8431 101.5919
280.3252 102.2993
280.8073 102.7487
281.2894 102.9009
281.7715 102.7789
282.2537 102.3113
282.7358 101.4430
283.2179 100.6131
283.7000 100.2559
284.1821 100.3463
284.6642 99.80370
285.1464 98.50677
285.6285 96.78018
286.1106 95.04543
286.5927 93.29968
287.0748 91.59563
287.5569 90.01462
288.0391 88.49452
288.5212 86.77313
289.0033 84.84592
289.4854 82.77048
289.9675 80.40140
290.4496 77.79329
290.9318 75.68282
291.4139 74.85938
291.8960 74.70752
292.3781 72.92090
292.8602 69.34964
293.3423 65.31177
293.8245 62.02167
294.3066 59.42453
294.7887 57.16443
295.2708 55.30957
295.7529 53.58113
296.2350 51.27371
296.7172 48.40430
297.1993 45.65750
297.6814 43.66267
298.1635 42.21982
298.6456 40.81578
299.1277 39.35492
299.6099 37.82458
300.0920 36.17184
300.5741 34.40900
301.0562 32.77275
301.5383 31.43224
302.0204 30.30919
302.5026 29.32922
302.9847 28.55049
303.4668 27.71359
303.9489 26.34680
304.4310 24.62430
304.9131 23.08212
305.3953 22.24736
305.8774 21.68663
306.3595 20.78264
306.8416 19.37918
307.3237 17.96783
307.8058 17.06725
308.2880 16.50824
308.7701 15.91196
309.2522 14.95450
309.7343 13.94653
310.2164 13.18935
310.6985 12.69795
311.1807 12.28862
311.6628 12.01483
312.1449 11.73946
312.6270 11.25195
313.1091 10.19496
313.5912 9.092056
314.0734 8.255936
314.5555 7.711044
315.0376 7.294800
315.5197 6.926956
316.0018 6.625183
316.4839 6.415283
316.9661 6.455887
317.4482 6.466248
317.9303 6.311279
318.4124 6.008591
318.8945 5.680038
319.3766 5.224335
319.8588 4.840576
320.3409 4.697678
320.8230 5.194839
321.3051 5.452026
321.7872 4.972656
322.2693 4.024994
322.7515 3.433792
323.2336 3.811432
323.7157 4.281403
324.1978 4.397049
324.6799 3.865433
325.1620 3.455124
325.6442 3.386429
326.1263 3.489212
326.6084 3.461090
327.0905 2.983276
327.5726 2.636002
328.0547 2.629852
328.5369 3.094345
329.0190 3.503876
329.5011 3.950592
329.9832 4.298004
330.4653 4.379501
330.9474 3.886215
331.4296 3.514252
331.9117 3.425705
332.3938 3.637772
332.8759 3.822800
333.3580 4.030914
333.8401 4.170074
334.3223 4.144318
334.8044 3.817932
335.2865 3.598480
335.7686 3.545395
336.2507 3.639160
336.7328 3.791656
337.2150 4.032898
337.6971 4.272095
338.1792 4.477249
338.6613 4.671951
339.1434 4.704514
339.6255 4.521469
340.1077 4.203674
340.5898 3.892578
341.0719 3.562714
341.5540 3.368362
342.0361 3.477142
342.5182 3.911911
343.0004 4.069153
343.4825 3.903931
343.9646 3.574585
344.4467 3.278305
344.9288 3.020691
345.4109 2.794296
345.8931 2.607895
346.3752 2.453705
346.8573 2.288559
347.3394 2.104019
347.8215 1.964218
348.3036 2.026779
348.7858 2.221252
349.2679 2.172256
349.7500 1.625610
350.2321 0.9460910
350.7142 0.9200130
351.1964 1.482269
351.6785 2.015015
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352.6427 1.725830
353.1248 1.341919
353.6069 0.9080960
354.0891 0.4964290
354.5712 0.1534730
355.0533 0.1070560
355.5354 0.2521360
356.0175 8.8669002E-02
356.4996 0.1160740
356.9818 2.9785000E-02
357.4639 0.4038240
357.9460 0.8353880
358.4281 1.014023
358.9102 1.036331
359.3923 1.039948
359.8745 1.126938
360.3566 1.177658
360.8387 1.051819
361.3208 0.7705990
361.8029 0.6120150
362.2850 0.9298860
362.7672 1.310196
363.2493 1.401703
363.7314 0.8284910
364.2135 0.3033290
364.6956 5.4076999E-02
365.1777 2.7358999E-02
365.6599 6.5659001E-02
366.1420 0.1697240
366.6241 0.2986760
367.1062 0.4552000
367.5883 0.7544400
368.0704 0.8071750
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375.3022 2.999374
375.7843 3.239838
376.2664 3.541519
376.7485 3.795380
377.2307 3.930084
377.7128 3.939713
378.1949 3.812592
378.6770 3.473038
379.1591 3.103714
379.6412 3.090530
380.1234 3.470016
380.6055 3.915771
381.0876 4.346558
381.5697 4.745255
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383.0161 4.859497
383.4982 5.141846
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384.9445 6.923325
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386.8730 9.041672
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388.8015 9.793686
389.2836 9.970123
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392.6584 13.67056
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395.0690 15.66125
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411.9430 15.17719
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412.9073 13.20753
413.3894 12.64986
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414.3536 12.18352
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415.3178 11.14040
415.8000 10.34938
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417.7284 7.205521
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419.6569 3.928650
420.1390 4.170166
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424.4781 2.5650000E-02
424.9602 0.4266660
425.4423 0.7882690
425.9244 1.004410
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427.3708 1.196640
427.8529 1.620972
428.3350 1.846100
428.8171 1.821350
429.2992 1.643127
429.7813 1.219116
430.2635 0.5836940
430.7456 0.5853880
431.2277 1.484482
431.7098 2.407669
432.1919 2.564041
432.6740 1.882736
433.1562 1.415497
433.6383 1.340790
434.1204 1.467850
434.6025 1.426727
435.0846 1.220779
435.5667 0.9592900
436.0489 0.6362760
436.5310 0.2977600
437.0131 0.1045230
437.4952 6.1066002E-02
437.9773 6.3354000E-02
438.4594 5.9372000E-02
438.9416 2.3788000E-02
439.4237 9.3673997E-02
439.9058 0.3010560
440.3879 0.6126100
440.8700 1.167709
441.3521 1.877121
441.8343 2.421448
442.3164 2.526352
442.7985 2.462891
443.2806 2.395386
443.7627 2.310333
444.2448 2.380630
444.7270 2.838989
445.2091 3.431595
445.6912 3.855072
446.1733 3.804413
446.6554 3.809738
447.1375 3.995758
447.6197 4.357101
448.1018 4.812866
448.5839 5.645935
449.0660 6.323639
449.5481 6.536270
450.0302 5.818069
450.5124 5.638519
450.9945 6.256454
451.4766 7.241653
451.9587 7.858246
452.4408 7.936615
452.9229 8.135117
453.4051 8.638123
453.8872 9.425308
454.3693 10.41183
454.8514 11.63985
455.3335 12.90582
455.8156 14.07333
456.2978 15.14221
456.7799 16.15387
457.2620 17.10370
457.7441 18.03960
458.2262 18.99640
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