#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:41:57 +0300 (Thu, 07 Jun 2018) $
#$Revision: 933 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000404.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_1000404
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        R060275
_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            R060275.rod
_rod_data_source.block           3500000
_rod_database.code               1000404
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
160.3991 0.0000000E+00
160.8812 0.2838130
161.3633 0.6542970
161.8455 1.078552
162.3276 2.828308
162.8097 3.573914
163.2918 5.319031
163.7739 8.171875
164.2560 11.71088
164.7382 12.77008
165.2203 15.02612
165.7024 18.57446
166.1845 22.98401
166.6666 28.60754
167.1487 33.64075
167.6309 36.40234
168.1130 37.88330
168.5951 40.13904
169.0772 45.04407
169.5593 50.67090
170.0414 54.87109
170.5236 56.00305
171.0057 58.59271
171.4878 67.77234
171.9699 81.55304
172.4520 93.73468
172.9341 100.3093
173.4163 103.6910
173.8984 106.4786
174.3805 108.7306
174.8626 111.3674
175.3447 115.1437
175.8268 120.0274
176.3090 125.9839
176.7911 133.9153
177.2732 142.7113
177.7553 150.6398
178.2374 157.4863
178.7195 163.0947
179.2017 165.7827
179.6838 165.9760
180.1659 167.7250
180.6480 175.6513
181.1301 187.4877
181.6122 198.0872
182.0944 205.5563
182.5765 211.3063
183.0586 217.7640
183.5407 224.8289
184.0228 232.1342
184.5049 240.2313
184.9871 248.5189
185.4692 254.3689
185.9513 255.5715
186.4334 254.3759
186.9155 256.6891
187.3976 262.7844
187.8798 269.1301
188.3619 271.4417
188.8440 270.3920
189.3261 270.2218
189.8082 272.8987
190.2903 277.5400
190.7725 281.0425
191.2546 283.3868
191.7367 284.9019
192.2188 285.9371
192.7009 286.7493
193.1830 287.1091
193.6652 286.9651
194.1473 287.0238
194.6294 287.0807
195.1115 286.3638
195.5936 285.1164
196.0757 285.8021
196.5579 287.0961
197.0400 287.9896
197.5221 290.3462
198.0042 294.7030
198.4863 294.7945
198.9684 289.1850
199.4506 281.3107
199.9327 278.6358
200.4148 281.3218
200.8969 285.1126
201.3790 289.6765
201.8611 295.1729
202.3433 295.4115
202.8254 289.1310
203.3075 279.5734
203.7896 272.4160
204.2717 268.0957
204.7538 263.6496
205.2360 257.6669
205.7181 249.9381
206.2002 242.5913
206.6823 235.7593
207.1644 229.1447
207.6465 222.3291
208.1287 215.5563
208.6108 208.0295
209.0929 198.9807
209.5750 187.8167
210.0571 178.3989
210.5392 171.2982
211.0214 165.3780
211.5035 158.2131
211.9856 149.5878
212.4677 140.5856
212.9498 131.5873
213.4319 122.6328
213.9140 113.8719
214.3962 105.2093
214.8783 96.75385
215.3604 89.01633
215.8425 82.19153
216.3246 75.44556
216.8067 68.13226
217.2889 59.86572
217.7710 52.56665
218.2531 46.09549
218.7352 40.59128
219.2173 36.10745
219.6994 33.15033
220.1816 30.11621
220.6637 26.04919
221.1458 20.24570
221.6279 15.42310
222.1100 11.81906
222.5921 9.120026
223.0743 6.314972
223.5564 3.095886
224.0385 0.3727420
224.5206 1.300903
225.0027 1.630890
225.4848 1.715668
225.9670 1.232910
226.4491 0.6074220
226.9312 1.084381
227.4133 3.238037
227.8954 5.560455
228.3775 7.375366
228.8597 8.824127
229.3418 9.441895
229.8239 8.555176
230.3060 7.033875
230.7881 7.578339
231.2702 12.11575
231.7524 15.85861
232.2345 16.43512
232.7166 12.34772
233.1987 8.601410
233.6808 4.993317
234.1629 1.803986
234.6451 0.2141110
235.1272 0.8004150
235.6093 0.6095280
236.0914 0.2738340
236.5735 2.724182
237.0556 3.753693
237.5378 2.694305
238.0199 0.3929440
238.5020 0.8993530
238.9841 0.3440250
239.4662 4.7210999E-02
239.9483 0.8900150
240.4305 3.089661
240.9126 6.018646
241.3947 10.39584
241.8768 15.27142
242.3589 18.08414
242.8410 17.30814
243.3232 16.78760
243.8053 18.22977
244.2874 22.55795
244.7695 26.73218
245.2516 31.37701
245.7337 35.65427
246.2159 37.42926
246.6980 35.08102
247.1801 32.77740
247.6622 31.98715
248.1443 32.73761
248.6264 35.17651
249.1086 40.58237
249.5907 47.07364
250.0728 50.45596
250.5549 48.67169
251.0370 47.24927
251.5191 48.61972
252.0013 54.14856
252.4834 57.83255
252.9655 58.84280
253.4476 58.44290
253.9297 58.92838
254.4118 60.51859
254.8940 62.57135
255.3761 64.94211
255.8582 67.73828
256.3403 70.58005
256.8224 73.87201
257.3046 76.88400
257.7867 78.00507
258.2688 75.87006
258.7509 74.79761
259.2330 76.62057
259.7151 82.05792
260.1973 86.19571
260.6794 88.67752
261.1615 90.13397
261.6436 91.31915
262.1257 92.05475
262.6078 93.01379
263.0900 94.21762
263.5721 95.57657
264.0542 98.02905
264.5363 102.1046
265.0184 106.6572
265.5005 110.4067
265.9827 113.3098
266.4648 115.4184
266.9469 116.4317
267.4290 116.3050
267.9111 116.8170
268.3932 117.8582
268.8754 119.8020
269.3575 123.1979
269.8396 128.4216
270.3217 133.8395
270.8038 139.5319
271.2859 145.4193
271.7681 148.5770
272.2502 148.0537
272.7323 146.8166
273.2144 148.0263
273.6965 152.1028
274.1786 156.3031
274.6608 160.1557
275.1429 163.6720
275.6250 167.2260
276.1071 171.0946
276.5892 174.2283
277.0714 175.0304
277.5535 173.1278
278.0356 172.4291
278.5177 173.7375
278.9998 176.8105
279.4819 181.2120
279.9641 187.4603
280.4462 192.8841
280.9283 194.6602
281.4104 192.6402
281.8925 192.0745
282.3746 194.5031
282.8568 198.2499
283.3389 197.5843
283.8210 191.9416
284.3031 186.5684
284.7852 186.0818
285.2673 190.0153
285.7495 191.4290
286.2316 189.1494
286.7137 184.4612
287.1958 179.7264
287.6779 175.0264
288.1600 170.5985
288.6422 166.1623
289.1243 161.5794
289.6064 158.4245
290.0885 157.6513
290.5706 157.2292
291.0527 152.1627
291.5349 142.8021
292.0170 134.7447
292.4991 132.7866
292.9812 134.8416
293.4633 133.0425
293.9454 126.4759
294.4276 117.9433
294.9097 111.0154
295.3918 105.6514
295.8739 101.1503
296.3560 97.34564
296.8381 93.97183
297.3203 91.08063
297.8024 88.85565
298.2845 86.04932
298.7666 80.36230
299.2487 72.79178
299.7308 66.23123
300.2130 62.46558
300.6951 60.15601
301.1772 57.10867
301.6593 53.39221
302.1414 49.58862
302.6235 46.11716
303.1057 42.95798
303.5878 40.11804
304.0699 37.74835
304.5520 35.66360
305.0341 33.78632
305.5162 32.08023
305.9984 29.98004
306.4805 26.11810
306.9626 21.89249
307.4447 19.59375
307.9268 21.12140
308.4089 22.78082
308.8911 20.63626
309.3732 15.66263
309.8553 11.54575
310.3374 10.75937
310.8195 11.75577
311.3016 13.23828
311.7838 15.40726
312.2659 16.90244
312.7480 15.94681
313.2301 13.58966
313.7122 12.36682
314.1943 14.65942
314.6765 17.70471
315.1586 19.49350
315.6407 19.62646
316.1228 19.12653
316.6049 17.73544
317.0870 16.07880
317.5692 15.21918
318.0513 17.44885
318.5334 19.14789
319.0155 17.84927
319.4976 12.59720
319.9797 8.866058
320.4619 9.658966
320.9440 12.65906
321.4261 15.19693
321.9082 16.87277
322.3903 17.75415
322.8724 17.35010
323.3546 15.66275
323.8367 14.88580
324.3188 17.24146
324.8009 19.66165
325.2830 19.78177
325.7651 12.26608
326.2473 8.118652
326.7294 10.95251
327.2115 19.66074
327.6936 25.67075
328.1757 27.35684
328.6578 27.04663
329.1400 25.83203
329.6221 21.87952
330.1042 19.54037
330.5863 19.64734
331.0684 21.40396
331.5505 22.48779
332.0327 22.64941
332.5148 22.42389
332.9969 21.83810
333.4790 20.35681
333.9611 20.20547
334.4432 22.81357
334.9254 25.91922
335.4075 25.14996
335.8896 17.87958
336.3717 12.07275
336.8538 10.87628
337.3359 14.90970
337.8180 16.54398
338.3001 14.95615
338.7823 12.24115
339.2644 10.94382
339.7465 11.50406
340.2286 11.48376
340.7107 10.10223
341.1928 7.593475
341.6750 5.762329
342.1571 4.654388
342.6392 3.931671
343.1213 3.132416
343.6034 2.246307
344.0855 2.418793
344.5677 4.293640
345.0498 6.860870
345.5319 7.498962
346.0140 6.161102
346.4961 4.240387
346.9782 2.407379
347.4604 0.6905210
347.9425 0.8242190
348.4246 2.280731
348.9067 3.117249
349.3888 1.946472
349.8709 0.8504940
350.3531 3.140656
350.8352 3.170166
351.3173 2.115356
351.7994 2.651306
352.2815 5.019867
352.7636 7.084656
353.2458 6.220886
353.7279 3.514893
354.2100 1.318512
354.6921 0.8582460
355.1742 1.105927
355.6563 1.079559
356.1385 0.7888790
356.6206 0.3742680
357.1027 0.4298710
357.5848 1.174164
358.0669 1.232208
358.5490 0.2395020
359.0312 1.416901
359.5133 0.4057920
359.9954 1.993713
360.4775 3.309509
360.9596 1.406769
361.4417 1.363770
361.9239 3.547607
362.4060 5.008667
362.8881 5.599945
363.3702 4.816376
363.8523 3.289917
364.3344 2.104034
364.8166 0.1652220
365.2987 1.005676
365.7808 5.6152001E-02
366.2629 4.134399
366.7450 6.976013
367.2271 6.747711
367.7093 5.114685
368.1914 3.825043
368.6735 2.940002
369.1556 2.730988
369.6377 3.903900
370.1198 6.321777
370.6020 7.423706
371.0841 5.587158
371.5662 3.436066
372.0483 2.653687
372.5304 4.395416
373.0125 5.733398
373.4947 6.060425
373.9768 5.805603
374.4589 6.662140
374.9410 9.781219
375.4231 11.89423
375.9052 11.07269
376.3874 6.580048
376.8695 5.670837
377.3516 9.620636
377.8337 14.71085
378.3158 16.10132
378.7979 13.33875
379.2801 11.34894
379.7622 11.68600
380.2443 13.51816
380.7264 13.37006
381.2085 11.02487
381.6906 8.656372
382.1728 8.346313
382.6549 9.779877
383.1370 10.83682
383.6191 10.89899
384.1012 10.81488
384.5833 12.56131
385.0655 15.87982
385.5476 18.62115
386.0297 18.86737
386.5118 17.88635
386.9939 17.97968
387.4760 19.36545
387.9582 21.49237
388.4403 24.47943
388.9224 27.85654
389.4045 30.60812
389.8866 32.29425
390.3687 33.22876
390.8509 33.44366
391.3330 32.98688
391.8151 32.41534
392.2972 31.24741
392.7793 30.50122
393.2614 31.30710
393.7436 35.37778
394.2257 38.91589
394.7078 39.45541
395.1899 38.19073
395.6720 38.14240
396.1541 40.92667
396.6363 44.59766
397.1184 48.44855
397.6005 52.70844
398.0826 56.25162
398.5647 58.17410
399.0468 59.51688
399.5290 61.55890
400.0111 65.35648
400.4932 68.82635
400.9753 71.34952
401.4574 72.94223
401.9395 75.33215
402.4217 79.22678
402.9038 83.26016
403.3859 86.45395
403.8680 88.38593
404.3501 90.46460
404.8322 93.12228
405.3144 95.78766
405.7965 96.62982
406.2786 95.16925
406.7607 93.52316
407.2428 92.98239
407.7249 93.69675
408.2071 93.33847
408.6892 91.77011
409.1713 89.31253
409.6534 85.97256
410.1355 81.86960
410.6176 78.66113
411.0998 77.52011
411.5819 77.03873
412.0640 73.34995
412.5461 66.63010
413.0282 59.79654
413.5103 55.13925
413.9925 52.00269
414.4746 49.07422
414.9567 46.16360
415.4388 43.20798
415.9209 40.13351
416.4030 37.08438
416.8852 34.07104
417.3673 32.21942
417.8494 29.48059
418.3315 23.00430
418.8136 12.81326
419.2957 4.872375
419.7779 4.978607
420.2600 7.837158
420.7421 8.137299
421.2242 0.1633910
421.7063 6.261810
422.1884 6.460632
422.6706 2.248047
423.1527 0.2527470
423.6348 4.592255
424.1169 9.090790
424.5990 10.88528
425.0811 8.184631
425.5633 6.543182
426.0454 6.304169
426.5275 7.144623
427.0096 8.817871
427.4917 12.88361
427.9738 15.19254
428.4560 14.25708
428.9381 10.34579
429.4202 8.564270
429.9023 9.957581
430.3844 11.38235
430.8665 10.31479
431.3487 6.202606
431.8308 3.286285
432.3129 2.024689
432.7950 1.851990
433.2771 2.218750
433.7592 3.240753
434.2414 3.733521
434.7235 2.085083
435.2056 0.9466250
435.6877 0.8605040
436.1698 2.702972
436.6519 6.134460
437.1341 5.597656
437.6162 2.031708
438.0983 2.321777
438.5804 7.757538
439.0625 12.29718
439.5446 12.93634
440.0268 10.57874
440.5089 8.376221
440.9910 8.003906
441.4731 8.627472
441.9552 9.588837
442.4373 10.83524
442.9195 12.39771
443.4016 14.19772
443.8837 16.33871
444.3658 18.94595
444.8479 23.11740
445.3300 26.69519
445.8122 28.95395
446.2943 29.94916
446.7764 30.55203
447.2585 30.27362
447.7406 30.09827
448.2227 30.45367
448.7049 30.91403
449.1870 32.79630
449.6691 37.36032
450.1512 42.70825
450.6333 45.45544
451.1154 43.94171
451.5976 43.45023
452.0797 45.44711
452.5618 49.79984
453.0439 54.83035
453.5260 60.75504
454.0081 66.34393
454.4903 70.34543
454.9724 72.74783
455.4545 75.52167
455.9366 78.97324
456.4187 82.67407
456.9008 85.23608
457.3830 86.99219
457.8651 90.09875
458.3472 96.13782
458.8293 104.0752
459.3114 112.4786
459.7935 121.2491
460.2757 130.0516
460.7578 139.0124
461.2399 147.6118
461.7220 154.8097
462.2041 159.0366
462.6862 164.1929
463.1684 173.3238
463.6505 185.3728
464.1326 197.6785
464.6147 208.0676
465.0968 219.4250
465.5789 233.7332
466.0611 251.7036
466.5432 268.0595
467.0253 278.8969
467.5074 289.0736
467.9895 302.6035
468.4716 322.9887
468.9538 342.8181
469.4359 360.6721
469.9180 377.5020
470.4001 396.6836
470.8822 419.2031
471.3643 442.1211
471.8465 464.1458
472.3286 485.1167
472.8107 507.1578
473.2928 530.1320
473.7749 553.8671
474.2570 577.7586
474.7392 601.8214
475.2213 626.4860
475.7034 652.3053
476.1855 678.2414
476.6676 702.5420
477.1497 725.2526
477.6319 745.7465
478.1140 763.2669
478.5961 778.6678
479.0782 794.1268
479.5603 809.7985
480.0424 822.0112
480.5246 826.4282
481.0067 825.7887
481.4888 823.9677
481.9709 824.0200
482.4530 821.3394
482.9352 812.9070
483.4173 799.7963
483.8994 785.5275
484.3815 771.8226
484.8636 756.6102
485.3457 738.5332
485.8279 716.8389
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