#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:41:11 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1226 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000638.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_1000638
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        R060193
_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            R060193.rod
_rod_data_source.block           3500000
_rod_database.code               1000638
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
168.0016 0.0000000E+00
168.4837 0.4761950
168.9658 1.500922
169.4479 4.101375
169.9300 2.912656
170.4122 0.2221880
170.8943 1.127270
171.3764 0.2360180
171.8585 4.098536
172.3406 9.626102
172.8227 16.96625
173.3049 25.54619
173.7870 31.61690
174.2691 33.30385
174.7512 33.82357
175.2333 35.75661
175.7154 39.23029
176.1976 42.91039
176.6797 45.53669
177.1618 47.62548
177.6439 50.38379
178.1260 54.55632
178.6081 59.35507
179.0903 63.57367
179.5724 66.94710
180.0545 70.48927
180.5366 75.62732
181.0187 81.32278
181.5008 85.80081
181.9830 87.65581
182.4651 87.97379
182.9472 90.39346
183.4293 95.99597
183.9114 101.7615
184.3935 106.5742
184.8757 110.2644
185.3578 112.9842
185.8399 114.6713
186.3220 115.4248
186.8041 116.6729
187.2862 119.1816
187.7684 122.0168
188.2505 125.1733
188.7326 128.4374
189.2147 131.4248
189.6968 133.7223
190.1789 135.2882
190.6611 137.5588
191.1432 141.2723
191.6253 144.9786
192.1074 148.4623
192.5895 151.5609
193.0716 154.0450
193.5538 155.6321
194.0359 156.1867
194.5180 157.1158
195.0001 158.6406
195.4822 160.4671
195.9643 162.3391
196.4465 164.5694
196.9286 166.5265
197.4107 167.6111
197.8928 167.9274
198.3749 168.2268
198.8570 168.1343
199.3392 167.8087
199.8213 167.0577
200.3034 165.0288
200.7855 162.0522
201.2676 157.3108
201.7497 150.7040
202.2319 145.3676
202.7140 142.8729
203.1961 140.8499
203.6782 136.9683
204.1603 130.9192
204.6424 124.2015
205.1246 117.9994
205.6067 112.1918
206.0888 106.3121
206.5709 99.69478
207.0530 93.17709
207.5351 88.08716
208.0173 84.75397
208.4994 81.86492
208.9815 78.73666
209.4636 75.30212
209.9457 71.27998
210.4278 66.12002
210.9100 60.33464
211.3921 55.02194
211.8742 50.29508
212.3563 45.93766
212.8384 41.74952
213.3205 37.78423
213.8027 34.18797
214.2848 31.20611
214.7669 28.64315
215.2490 25.84954
215.7311 22.67053
216.2132 19.46511
216.6954 16.30045
217.1775 13.22514
217.6596 10.28157
218.1417 7.423394
218.6238 4.718623
219.1059 2.632718
219.5881 1.569669
220.0702 0.6016240
220.5523 0.1462950
221.0344 0.8675090
221.5165 1.786870
221.9986 3.080283
222.4808 3.385870
222.9629 1.947404
223.4450 0.7274570
223.9271 0.1857210
224.4092 0.4991040
224.8913 0.4379900
225.3735 0.2451570
225.8556 3.8936999E-02
226.3377 0.1899510
226.8198 0.6538200
227.3019 1.461620
227.7840 2.390637
228.2662 3.702003
228.7483 3.109912
229.2304 2.228966
229.7125 2.251863
230.1946 3.060506
230.6767 3.330094
231.1589 3.717919
231.6410 2.936910
232.1231 0.3781110
232.6052 5.078959
233.0873 8.990368
233.5694 10.75447
234.0516 10.66022
234.5337 10.72426
235.0158 10.55169
235.4979 10.92366
235.9800 12.60675
236.4621 15.02696
236.9443 16.86321
237.4264 17.25964
237.9085 16.65643
238.3906 17.10102
238.8727 18.58379
239.3548 20.84789
239.8370 24.49638
240.3191 28.92286
240.8012 32.48160
241.2833 34.11903
241.7654 34.63962
242.2475 36.46627
242.7297 40.10258
243.2118 43.95465
243.6939 47.64783
244.1760 51.05610
244.6581 53.65698
245.1402 54.90286
245.6224 55.60756
246.1045 57.49874
246.5866 60.96112
247.0687 64.37213
247.5508 66.77415
248.0329 68.41439
248.5151 70.14964
248.9972 72.09722
249.4793 74.52638
249.9614 78.06353
250.4435 83.01359
250.9256 87.25225
251.4078 88.90305
251.8899 88.60167
252.3720 89.25410
252.8541 91.57976
253.3362 94.98756
253.8183 99.21097
254.3005 104.2664
254.7826 108.4280
255.2647 109.7234
255.7468 108.9347
256.2289 109.5557
256.7110 113.2574
257.1931 117.1864
257.6753 118.9413
258.1574 118.8144
258.6395 118.6874
259.1216 119.8712
259.6037 122.1059
260.0858 124.0251
260.5680 125.0586
261.0501 126.3624
261.5322 128.9428
262.0143 132.3458
262.4964 135.4191
262.9785 137.3914
263.4607 138.4175
263.9428 139.5881
264.4249 141.3289
264.9070 142.5026
265.3891 142.0947
265.8712 140.8276
266.3534 140.1906
266.8355 141.3417
267.3176 143.7856
267.7997 145.3386
268.2818 145.2739
268.7639 145.4060
269.2461 146.6845
269.7282 148.4951
270.2103 149.9956
270.6924 150.8146
271.1745 150.9463
271.6566 150.0934
272.1388 146.7928
272.6209 145.1087
273.1030 147.1218
273.5851 150.6852
274.0672 153.2765
274.5493 153.7139
275.0315 152.8898
275.5136 153.1108
275.9957 155.3580
276.4778 156.7759
276.9599 156.5154
277.4420 155.5166
277.9242 154.5496
278.4063 153.8756
278.8884 153.3977
279.3705 152.9960
279.8526 152.7543
280.3347 152.2955
280.8169 151.6796
281.2990 150.9923
281.7811 150.4550
282.2632 150.0445
282.7453 149.3512
283.2274 147.6619
283.7096 144.5134
284.1917 141.4762
284.6738 138.3832
285.1559 135.5356
285.6380 133.5140
286.1201 132.1507
286.6023 130.5141
287.0844 127.0471
287.5665 120.7320
288.0486 116.2503
288.5307 115.7688
289.0128 115.1045
289.4950 112.5541
289.9771 108.3362
290.4592 103.1836
290.9413 97.76685
291.4234 92.01377
291.9055 87.09041
292.3877 83.53361
292.8698 80.24163
293.3519 76.92698
293.8340 73.60349
294.3161 70.42573
294.7982 67.54905
295.2804 64.91310
295.7625 61.86472
296.2446 57.49532
296.7267 53.68362
297.2088 51.29118
297.6909 49.59069
298.1731 47.60412
298.6552 44.81993
299.1373 41.28546
299.6194 37.14915
300.1015 30.78549
300.5836 25.87575
301.0658 23.87807
301.5479 23.02229
302.0300 21.18646
302.5121 17.57531
302.9942 13.29393
303.4763 10.67344
303.9585 11.67818
304.4406 11.44472
304.9227 8.771252
305.4048 5.652834
305.8869 3.818111
306.3690 3.601307
306.8512 3.940470
307.3333 3.324311
307.8154 1.176838
308.2975 0.4127780
308.7796 1.016845
309.2617 1.516644
309.7439 2.495569
310.2260 1.137903
310.7081 0.4151720
311.1902 1.857868
311.6723 3.391308
312.1544 3.281195
312.6366 0.6082020
313.1187 1.300127
313.6008 1.069756
314.0829 2.096029
314.5650 9.4851002E-02
315.0471 0.3983450
315.5293 0.4999390
316.0114 1.290141
316.4935 2.228832
316.9756 2.423737
317.4577 2.370388
317.9398 1.591896
318.4220 1.377707
318.9041 2.223372
319.3862 1.563231
319.8683 0.5987790
320.3504 0.7953270
320.8326 0.7822920
321.3147 0.6009400
321.7968 0.1328840
322.2789 0.9096610
322.7610 2.565989
323.2431 4.364054
323.7253 5.413556
324.2074 4.887810
324.6895 5.274627
325.1716 7.445714
325.6537 9.758202
326.1358 10.76517
326.6180 10.50889
327.1001 10.42833
327.5822 12.25830
328.0643 16.64194
328.5464 19.62105
329.0285 20.36249
329.5107 20.71300
329.9928 21.06624
330.4749 21.64989
330.9570 22.82861
331.4391 24.98091
331.9212 27.99441
332.4034 30.17106
332.8855 31.07882
333.3676 31.57806
333.8497 31.67716
334.3318 31.49735
334.8139 31.02685
335.2961 30.24159
335.7782 29.46500
336.2603 29.69036
336.7424 31.66221
337.2245 33.60795
337.7066 35.92614
338.1888 37.88257
338.6709 38.74289
339.1530 38.34773
339.6351 37.18711
340.1172 35.99152
340.5993 34.91512
341.0815 33.39198
341.5636 30.14355
342.0457 27.56218
342.5278 27.42458
343.0099 29.42446
343.4920 31.80436
343.9742 33.00919
344.4563 33.00384
344.9384 32.47129
345.4205 30.93047
345.9026 29.28992
346.3847 27.72699
346.8669 26.23676
347.3490 24.66849
347.8311 22.85278
348.3132 21.04894
348.7953 20.46808
349.2774 22.51496
349.7596 23.56450
350.2417 22.37792
350.7238 20.27883
351.2059 18.50669
351.6880 17.48659
352.1701 16.95079
352.6523 16.50252
353.1344 16.16624
353.6165 15.84378
354.0986 15.63229
354.5807 15.34840
355.0628 14.65506
355.5450 13.65991
356.0271 13.00263
356.5092 13.69615
356.9913 15.83055
357.4734 16.61792
357.9555 15.02258
358.4377 13.13917
358.9198 11.70502
359.4019 10.65467
359.8840 9.783970
360.3661 9.002055
360.8482 8.302555
361.3304 7.628218
361.8125 6.908502
362.2946 6.395237
362.7767 6.491367
363.2588 6.681637
363.7409 6.388715
364.2231 5.404474
364.7052 4.120880
365.1873 2.883152
365.6694 1.676646
366.1515 0.9582180
366.6336 0.9356310
367.1158 1.424615
367.5979 2.419861
368.0800 3.965131
368.5621 5.682589
369.0442 6.689466
369.5263 7.103178
370.0085 7.816389
370.4906 9.610259
370.9727 10.69595
371.4548 9.164578
371.9369 5.968727
372.4190 3.622178
372.9012 3.360114
373.3833 4.198252
373.8654 4.785894
374.3475 5.101076
374.8296 5.187716
375.3117 4.702706
375.7939 4.269845
376.2760 4.891047
376.7581 7.104261
377.2402 9.165473
377.7223 9.164692
378.2044 7.600969
378.6866 7.012494
379.1687 8.405772
379.6508 10.48710
380.1329 11.82325
380.6150 12.57848
381.0971 12.45722
381.5793 10.33988
382.0614 7.796241
382.5435 7.377656
383.0256 9.446580
383.5077 11.95166
383.9898 13.38642
384.4720 13.89897
384.9541 14.63420
385.4362 16.02094
385.9183 17.27426
386.4004 17.93222
386.8825 18.11636
387.3647 18.18813
387.8468 18.32130
388.3289 18.55553
388.8110 18.94555
389.2931 19.59994
389.7752 19.92402
390.2574 19.50719
390.7395 19.05127
391.2216 19.44450
391.7037 20.90387
392.1858 22.90506
392.6679 24.91439
393.1501 27.00579
393.6322 28.87302
394.1143 30.64379
394.5964 32.10677
395.0785 32.80891
395.5606 33.04709
396.0428 33.70313
396.5249 35.41813
397.0070 37.90628
397.4891 39.67936
397.9712 39.85894
398.4533 40.35293
398.9355 41.54609
399.4176 43.07019
399.8997 44.41621
400.3818 45.45859
400.8639 46.65632
401.3460 48.86115
401.8282 52.88572
402.3103 55.60373
402.7924 55.97056
403.2745 56.16806
403.7566 57.41577
404.2387 59.49664
404.7209 61.49403
405.2030 62.76492
405.6851 63.32951
406.1672 63.29055
406.6493 62.78230
407.1314 61.37179
407.6136 58.28856
408.0957 54.65388
408.5778 51.82246
409.0599 50.29389
409.5420 49.11835
410.0241 46.67347
410.5063 42.59437
410.9884 39.28350
411.4705 37.91912
411.9526 36.75383
412.4347 34.84393
412.9168 32.23451
413.3990 29.43673
413.8811 26.64867
414.3632 23.94838
414.8453 21.65516
415.3274 19.86255
415.8095 18.25253
416.2917 16.68128
416.7738 15.17628
417.2559 13.74008
417.7380 12.26193
418.2201 11.09032
418.7022 10.86894
419.1844 11.45624
419.6665 11.43336
420.1486 10.14789
420.6307 8.385213
421.1128 7.293558
421.5949 6.868684
422.0771 5.963943
422.5592 2.964815
423.0413 0.2241210
423.5234 0.1901480
424.0055 3.449276
424.4876 6.431268
424.9698 5.228909
425.4519 0.4672500
425.9340 2.893089
426.4161 1.941519
426.8982 1.311493
427.3803 0.4228410
427.8625 0.5201370
428.3446 1.085979
428.8267 1.115042
429.3088 0.6965610
429.7909 0.1028750
430.2730 1.815036
430.7552 2.629177
431.2373 1.969502
431.7194 0.8353910
432.2015 0.1204400
432.6836 0.8450790
433.1657 1.666288
433.6479 2.944399
434.1300 4.563388
434.6121 4.959575
435.0942 2.372045
435.5763 0.5811210
436.0584 1.103554
436.5406 2.344091
437.0227 2.231521
437.5048 0.1133740
437.9869 2.675099
438.4690 2.991560
438.9511 3.145680
439.4333 2.747458
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440.3975 3.278276
440.8796 2.577456
441.3617 0.7795320
441.8438 0.7050080
442.3260 1.373241
442.8081 1.308970
443.2902 0.5610900
443.7723 1.413674
444.2544 2.700037
444.7365 1.870689
445.2187 0.4657120
445.7008 0.1362770
446.1829 1.295408
446.6650 2.081033
447.1471 8.0541998E-02
447.6292 4.388942
448.1114 5.995573
448.5935 2.978439
449.0756 0.4614040
449.5577 0.4228090
450.0398 2.104020
450.5219 4.378194
451.0041 5.620116
451.4862 6.337663
451.9683 7.181654
452.4504 8.039420
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453.4146 5.821925
453.8968 3.076512
454.3789 2.578713
454.8610 4.732403
455.3431 7.179430
455.8252 9.714046
456.3073 12.10536
456.7895 13.93543
457.2716 15.22265
457.7537 16.66376
458.2358 18.93546
458.7179 22.04491
459.2000 24.69734
459.6822 26.85079
460.1643 28.68860
460.6464 29.97195
461.1285 31.06588
461.6106 32.43373
462.0927 34.25116
462.5748 36.40116
463.0569 38.72784
463.5391 41.31480
464.0212 43.80792
464.5033 45.82603
464.9854 48.09785
465.4675 50.96693
465.9496 54.38950
466.4318 58.19606
466.9139 62.33961
467.3960 66.72462
467.8781 71.03164
468.3602 75.15685
468.8423 79.52477
469.3245 84.49617
469.8066 89.64754
470.2887 94.35738
470.7708 98.57947
471.2529 103.5390
471.7350 110.7527
472.2172 119.5793
472.6993 127.4075
473.1814 133.7991
473.6635 139.8176
474.1456 145.9493
474.6277 152.2886
475.1099 159.0355
475.5920 166.2875
476.0741 173.8117
476.5562 181.7995
477.0383 189.9217
477.5204 197.3156
478.0026 203.5610
478.4847 209.2599
478.9668 215.1175
479.4489 221.2585
479.9310 227.7654
480.4131 235.5120
480.8953 242.5660
481.3774 247.9227
481.8595 251.4612
482.3416 252.6676
482.8237 250.9629
483.3058 247.5120
483.7880 246.2568
484.2701 250.9099
484.7522 253.1855
485.2343 251.2769
485.7164 248.1013
486.1985 245.6108
486.6807 244.1679
487.1628 243.3525
487.6449 243.0023
488.1270 242.9733
488.6091 241.3345
489.0912 236.0091
489.5734 232.4720
490.0555 233.1266
490.5376 235.7845
491.0197 237.8300
491.5018 238.4547
491.9839 239.4721
492.4661 242.9939
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1285.066 0.0000000E+00
