#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:41:26 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1230 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000642.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_1000642
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        R060221
_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            R060221.rod
_rod_data_source.block           3500000
_rod_database.code               1000642
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
150.1633 0.0000000E+00
150.6454 0.7609240
151.1275 1.847479
151.6096 3.727062
152.0917 2.167425
152.5739 0.2678930
153.0560 0.6454930
153.5381 2.3704000E-02
154.0202 1.490293
154.5023 2.412958
154.9844 3.576079
155.4665 4.070296
155.9487 2.718037
156.4308 0.9157210
156.9129 0.3137300
157.3950 0.7395790
157.8771 0.5533010
158.3592 2.6392000E-02
158.8414 1.089507
159.3235 2.319967
159.8056 3.713560
160.2877 5.177546
160.7698 6.545074
161.2519 7.712512
161.7341 8.942158
162.2162 11.02157
162.6983 14.73793
163.1804 18.31296
163.6625 21.30864
164.1446 24.07541
164.6268 27.03587
165.1089 30.45231
165.5910 34.24539
166.0731 38.00599
166.5552 41.48331
167.0373 45.20141
167.5195 49.39396
168.0016 53.91623
168.4837 58.51337
168.9658 63.01504
169.4479 67.45260
169.9300 71.83699
170.4122 76.13203
170.8943 80.47960
171.3764 84.89497
171.8585 89.38566
172.3406 94.05911
172.8227 99.02473
173.3049 104.2105
173.7870 109.1810
174.2691 113.5434
174.7512 117.9901
175.2333 123.3114
175.7154 129.5776
176.1976 135.6266
176.6797 140.4803
177.1618 144.4536
177.6439 148.1337
178.1260 151.8088
178.6081 155.2038
179.0903 157.9518
179.5724 160.0149
180.0545 161.4714
180.5366 161.8789
181.0187 161.7932
181.5008 162.1408
181.9830 163.7743
182.4651 166.0942
182.9472 167.2394
183.4293 166.9279
183.9114 165.7095
184.3935 163.3656
184.8757 160.4863
185.3578 158.0799
185.8399 156.9576
186.3220 156.9699
186.8041 156.5146
187.2862 154.9808
187.7684 153.6003
188.2505 152.7942
188.7326 152.4177
189.2147 152.1492
189.6968 151.9600
190.1789 151.9623
190.6611 152.4644
191.1432 153.5271
191.6253 154.7231
192.1074 156.2189
192.5895 157.7785
193.0716 158.9063
193.5538 159.6745
194.0359 160.0052
194.5180 160.2819
195.0001 160.5696
195.4822 160.6644
195.9643 160.1537
196.4465 159.1115
196.9286 157.9809
197.4107 157.3128
197.8928 157.2666
198.3749 155.7294
198.8570 151.3918
199.3392 146.7202
199.8213 143.4955
200.3034 141.7766
200.7855 140.2360
201.2676 137.6248
201.7497 133.8553
202.2319 130.2470
202.7140 127.0303
203.1961 123.8859
203.6782 120.5794
204.1603 117.0780
204.6424 113.3089
205.1246 108.9277
205.6067 104.1045
206.0888 99.72726
206.5709 96.29094
207.0530 93.27505
207.5351 89.90982
208.0173 86.04234
208.4994 82.26709
208.9815 79.31747
209.4636 76.83130
209.9457 74.07760
210.4278 70.57077
210.9100 66.60892
211.3921 62.81840
211.8742 59.15882
212.3563 55.75804
212.8384 52.58039
213.3205 49.67872
213.8027 47.21534
214.2848 45.52279
214.7669 44.30889
215.2490 42.54603
215.7311 39.81721
216.2132 37.25275
216.6954 35.74918
217.1775 34.66401
217.6596 32.79449
218.1417 29.07683
218.6238 23.97750
219.1059 20.35709
219.5881 19.33834
220.0702 18.57558
220.5523 17.56389
221.0344 16.29162
221.5165 14.68728
221.9986 12.55894
222.4808 10.07376
222.9629 8.818123
223.4450 10.36446
223.9271 11.57989
224.4092 11.90604
224.8913 11.44457
225.3735 10.42325
225.8556 8.945958
226.3377 7.062052
226.8198 5.207551
227.3019 3.227663
227.7840 1.453655
228.2662 0.1348040
228.7483 0.9389710
229.2304 2.217681
229.7125 2.475305
230.1946 0.1589780
230.6767 0.9429710
231.1589 0.3239970
231.6410 1.427874
232.1231 1.814793
232.6052 1.585260
233.0873 0.8914380
233.5694 0.2720970
234.0516 1.732733
234.5337 2.157398
235.0158 0.6099330
235.4979 0.7319300
235.9800 0.9893720
236.4621 0.5594320
236.9443 0.3217680
237.4264 0.7564860
237.9085 1.763166
238.3906 2.876007
238.8727 1.554892
239.3548 0.2556530
239.8370 0.1630280
240.3191 1.8012000E-02
240.8012 8.9544997E-02
241.2833 0.7867000
241.7654 1.929450
242.2475 2.928562
242.7297 3.424352
243.2118 4.344307
243.6939 6.529004
244.1760 9.526957
244.6581 11.93651
245.1402 13.04927
245.6224 13.38525
246.1045 13.99294
246.5866 14.84076
247.0687 15.96654
247.5508 17.54676
248.0329 19.53076
248.5151 21.40372
248.9972 22.79757
249.4793 24.07735
249.9614 26.08742
250.4435 29.11737
250.9256 31.76173
251.4078 33.32043
251.8899 33.86165
252.3720 33.84690
252.8541 32.85433
253.3362 32.19028
253.8183 33.23796
254.3005 35.98539
254.7826 38.97911
255.2647 41.39721
255.7468 43.35591
256.2289 45.22562
256.7110 47.08657
257.1931 48.88729
257.6753 50.61047
258.1574 52.25903
258.6395 53.64501
259.1216 54.32203
259.6037 54.49738
260.0858 55.46454
260.5680 58.10598
261.0501 60.49835
261.5322 61.23144
262.0143 60.73462
262.4964 60.31908
262.9785 60.75518
263.4607 61.96443
263.9428 63.60780
264.4249 66.28762
264.9070 68.48839
265.3891 69.09978
265.8712 68.77811
266.3534 68.86774
266.8355 70.38102
267.3176 72.90836
267.7997 74.65340
268.2818 75.06013
268.7639 75.49793
269.2461 76.70706
269.7282 78.21769
270.2103 79.28868
270.6924 79.42914
271.1745 78.98188
271.6566 79.08580
272.1388 80.04150
272.6209 81.07486
273.1030 82.22302
273.5851 83.23544
274.0672 83.75230
274.5493 83.57983
275.0315 82.99804
275.5136 82.72058
275.9957 82.98663
276.4778 83.10504
276.9599 82.71260
277.4420 82.26324
277.9242 82.26981
278.4063 82.90835
278.8884 83.76540
279.3705 84.02806
279.8526 83.34008
280.3347 82.81170
280.8169 82.83730
281.2990 82.86764
281.7811 82.44330
282.2632 81.47734
282.7453 80.29124
283.2274 79.37019
283.7096 78.87457
284.1917 78.24933
284.6738 77.79235
285.1559 76.99024
285.6380 75.32768
286.1201 72.86925
286.6023 70.17281
287.0844 67.89336
287.5665 66.18448
288.0486 64.36559
288.5307 62.39508
289.0128 60.38832
289.4950 58.17793
289.9771 55.82784
290.4592 53.61175
290.9413 51.89260
291.4234 50.76743
291.9055 48.47404
292.3877 43.92993
292.8698 39.56310
293.3519 35.89106
293.8340 32.88723
294.3161 30.42459
294.7982 28.44979
295.2804 26.93566
295.7625 25.53924
296.2446 24.73139
296.7267 23.67451
297.2088 21.96299
297.6909 19.79203
298.1731 17.50695
298.6552 15.31997
299.1373 13.23972
299.6194 11.29313
300.1015 9.143038
300.5836 7.593294
301.0658 7.212975
301.5479 7.265118
302.0300 6.886113
302.5121 5.750028
302.9942 4.280674
303.4763 3.388297
303.9585 4.051093
304.4406 3.785578
304.9227 1.506459
305.4048 0.9805040
305.8869 1.470506
306.3690 1.339236
306.8512 0.1054440
307.3333 3.0789999E-02
307.8154 1.494017
308.2975 0.5775870
308.7796 1.406499
309.2617 0.9228340
309.7439 0.5905120
310.2260 1.011931
310.7081 1.641193
311.1902 1.201222
311.6723 1.056832
312.1544 0.7620880
312.6366 0.2121540
313.1187 0.8062170
313.6008 0.3994770
314.0829 0.7485550
314.5650 1.270314
315.0471 0.3210410
315.5293 0.3227840
316.0114 0.8355310
316.4935 1.214298
316.9756 1.484540
317.4577 1.391256
317.9398 1.235145
318.4220 1.366088
318.9041 1.950908
319.3862 3.080010
319.8683 5.108624
320.3504 10.07952
320.8326 13.40564
321.3147 13.76574
321.7968 12.87748
322.2789 12.28515
322.7610 12.47653
323.2431 13.07750
323.7253 13.41011
324.2074 13.23826
324.6895 13.57724
325.1716 14.68633
325.6537 15.90700
326.1358 16.92887
326.6180 17.68793
327.1001 18.22451
327.5822 18.52903
328.0643 18.48877
328.5464 18.97265
329.0285 20.05225
329.5107 21.37156
329.9928 23.21288
330.4749 25.26390
330.9570 26.79085
331.4391 27.20541
331.9212 26.58333
332.4034 26.03844
332.8855 25.17857
333.3676 24.84511
333.8497 25.80764
334.3318 27.25042
334.8139 27.93403
335.2961 27.21752
335.7782 25.66521
336.2603 24.96273
336.7424 25.87778
337.2245 26.54064
337.7066 26.64458
338.1888 26.55677
338.6709 26.59048
339.1530 26.83476
339.6351 27.18366
340.1172 27.59367
340.5993 28.47460
341.0815 28.31062
341.5636 25.70539
342.0457 23.35408
342.5278 23.18564
343.0099 24.89930
343.4920 26.58069
343.9742 26.26914
344.4563 23.79571
344.9384 22.48852
345.4205 23.77465
345.9026 24.90166
346.3847 25.09576
346.8669 24.61847
347.3490 24.04147
347.8311 23.72209
348.3132 23.54206
348.7953 23.01378
349.2774 21.81417
349.7596 20.74982
350.2417 19.93965
350.7238 19.33035
351.2059 19.01569
351.6880 19.01248
352.1701 18.92363
352.6523 17.90387
353.1344 15.39012
353.6165 13.68925
354.0986 13.65701
354.5807 14.00057
355.0628 14.03400
355.5450 13.69636
356.0271 13.31164
356.5092 13.32840
356.9913 13.78357
357.4734 13.61882
357.9555 12.34409
358.4377 10.95851
358.9198 9.755982
359.4019 8.818450
359.8840 8.266001
360.3661 8.256945
360.8482 8.530574
361.3304 8.313737
361.8125 7.245995
362.2946 6.331789
362.7767 6.408762
363.2588 6.545973
363.7409 5.818679
364.2231 3.889557
364.7052 1.911852
365.1873 1.521758
365.6694 2.778484
366.1515 3.975515
366.6336 4.682897
367.1158 5.003365
367.5979 4.870744
368.0800 4.302688
368.5621 3.684615
369.0442 3.433521
369.5263 3.453836
370.0085 3.126124
370.4906 2.109386
370.9727 1.324337
371.4548 1.795423
371.9369 2.989340
372.4190 3.736302
372.9012 3.454717
373.3833 2.627579
373.8654 1.950502
374.3475 1.508551
374.8296 1.205597
375.3117 1.251884
375.7939 1.425409
376.2760 1.523907
376.7581 1.421901
377.2402 1.057371
377.7223 0.2919160
378.2044 0.1433780
378.6866 1.173274
379.1687 1.855341
379.6508 2.103270
380.1329 1.479195
380.6150 1.4895000E-02
381.0971 0.5212230
381.5793 0.5713570
382.0614 0.2402660
382.5435 0.6560510
383.0256 1.986541
383.5077 3.191372
383.9898 3.416054
384.4720 2.734989
384.9541 2.077806
385.4362 1.082320
385.9183 0.4728400
386.4004 0.7691730
386.8825 1.840248
387.3647 3.416837
387.8468 5.613997
388.3289 7.836203
388.8110 8.339934
389.2931 6.364991
389.7752 4.707339
390.2574 3.746376
390.7395 3.486187
391.2216 4.177083
391.7037 5.826450
392.1858 7.697167
392.6679 8.934990
393.1501 9.400577
393.6322 9.841903
394.1143 9.922871
394.5964 10.28184
395.0785 11.53165
395.5606 13.40354
396.0428 15.04836
396.5249 15.89605
397.0070 16.12013
397.4891 16.69138
397.9712 17.93518
398.4533 19.13697
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399.4176 21.11705
399.8997 22.26728
400.3818 23.64685
400.8639 25.03641
401.3460 26.15089
401.8282 27.11507
402.3103 27.40097
402.7924 26.35778
403.2745 25.31535
403.7566 24.87374
404.2387 25.02304
404.7209 25.57024
405.2030 26.50425
405.6851 27.67716
406.1672 27.85576
406.6493 26.31869
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407.6136 23.66458
408.0957 22.73499
408.5778 21.64455
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409.5420 18.87843
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410.5063 17.55524
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411.4705 15.59970
411.9526 14.04208
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413.8811 6.284761
414.3632 4.471109
414.8453 2.961410
415.3274 1.816214
415.8095 0.8325200
416.2917 9.4222002E-02
416.7738 0.9310640
417.2559 1.646031
417.7380 1.572922
418.2201 1.247035
418.7022 1.663489
419.1844 1.360459
419.6665 1.037360
420.1486 2.095628
420.6307 0.7877020
421.1128 0.7940480
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422.0771 1.730547
422.5592 1.251214
423.0413 0.9971740
423.5234 1.914105
424.0055 1.275490
424.4876 0.4011190
424.9698 0.2718720
425.4519 0.7608060
425.9340 0.9159890
426.4161 0.2881830
426.8982 0.1878070
427.3803 4.3228999E-02
427.8625 0.7181570
428.3446 1.309821
428.8267 1.635585
429.3088 1.759485
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430.2730 2.299312
430.7552 1.782454
431.2373 0.9766540
431.7194 2.160049
432.2015 1.490631
432.6836 2.600060
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435.5763 2.101545
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437.0227 1.710841
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437.9869 3.339326
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438.9511 1.362429
439.4333 0.3979830
439.9154 0.3881150
440.3975 0.8937930
440.8796 1.971815
441.3617 3.390312
441.8438 4.764404
442.3260 5.920748
442.8081 6.796852
443.2902 7.084852
443.7723 6.592259
444.2544 6.036376
444.7365 5.165947
445.2187 4.591897
445.7008 5.248374
446.1829 7.403624
446.6650 9.382009
447.1471 9.144321
447.6292 7.226966
448.1114 6.788866
448.5935 8.818315
449.0756 11.34717
449.5577 12.83772
450.0398 13.50309
450.5219 13.85595
451.0041 13.68533
451.4862 13.50273
451.9683 13.73099
452.4504 14.36688
452.9325 15.42343
453.4146 17.00339
453.8968 18.89170
454.3789 20.64774
454.8610 22.27707
455.3431 23.79465
455.8252 24.79947
456.3073 25.91629
456.7895 28.04589
457.2716 31.21396
457.7537 34.44388
458.2358 36.83830
458.7179 38.40187
459.2000 40.58601
459.6822 44.36864
460.1643 47.55077
460.6464 48.59574
461.1285 48.97473
461.6106 51.09448
462.0927 55.78446
462.5748 61.27456
463.0569 64.37461
463.5391 63.54907
464.0212 64.46179
464.5033 67.94136
464.9854 72.24821
465.4675 77.08716
465.9496 82.10522
466.4318 86.69457
466.9139 90.38070
467.3960 93.47761
467.8781 96.93385
468.3602 100.7234
468.8423 104.9884
469.3245 110.2325
469.8066 115.7165
470.2887 120.7442
470.7708 125.2343
471.2529 129.8953
471.7350 135.3571
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