#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:52:15 +0300 (Thu, 07 Jun 2018) $
#$Revision: 977 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000437.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_1000437
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        R050104
_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            R050104.rod
_rod_data_source.block           3500000
_rod_database.code               1000437
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
141.0739 0.0000000E+00
141.5560 6.8314001E-02
142.0381 0.2553560
142.5202 0.3930660
143.0023 2.0187000E-02
143.4845 0.2144320
143.9666 0.1896360
144.4487 3.0959999E-02
144.9308 0.5890960
145.4129 1.604172
145.8951 2.806381
146.3772 3.956314
146.8593 4.923492
147.3414 6.011703
147.8235 7.294983
148.3056 8.835007
148.7878 10.29944
149.2699 11.65988
149.7520 12.96991
150.2341 14.28094
150.7162 15.59145
151.1983 16.92522
151.6805 18.33324
152.1626 19.89758
152.6447 21.28857
153.1268 22.31396
153.6089 23.20328
154.0910 24.32394
154.5732 26.05901
155.0553 27.72504
155.5374 29.06459
156.0195 29.89729
156.5016 30.72838
156.9837 31.80898
157.4659 32.92793
157.9480 33.64186
158.4301 33.21866
158.9122 32.83334
159.3943 33.06372
159.8764 34.31125
160.3586 35.66249
160.8407 36.88222
161.3228 38.02715
161.8049 39.26387
162.2870 40.65836
162.7691 42.14429
163.2512 43.68631
163.7334 45.39352
164.2155 46.99867
164.6976 48.27139
165.1797 49.30611
165.6618 50.48347
166.1439 52.11908
166.6261 53.89760
167.1082 55.55138
167.5903 57.05157
168.0724 58.36038
168.5545 59.39989
169.0366 60.19948
169.5188 60.93442
170.0009 61.52748
170.4830 62.16888
170.9651 63.11046
171.4472 64.91032
171.9293 66.65726
172.4115 67.58429
172.8936 67.73384
173.3757 67.57021
173.8578 67.12477
174.3399 66.63586
174.8220 66.46645
175.3042 67.08875
175.7863 67.89714
176.2684 68.19574
176.7505 67.99004
177.2326 67.66939
177.7147 67.51508
178.1969 67.48920
178.6790 67.53180
179.1611 67.88217
179.6432 68.28615
180.1253 68.38644
180.6074 68.17200
181.0896 67.63728
181.5717 67.07033
182.0538 66.60345
182.5359 66.07425
183.0180 65.35007
183.5001 64.46629
183.9823 63.51556
184.4644 62.40858
184.9465 61.33760
185.4286 60.36003
185.9107 59.44165
186.3928 58.49406
186.8750 57.50133
187.3571 56.45200
187.8392 55.24777
188.3213 53.87224
188.8034 52.45975
189.2855 51.26109
189.7677 50.25545
190.2498 49.15701
190.7319 47.72722
191.2140 46.05939
191.6961 44.63522
192.1782 43.46962
192.6603 42.54019
193.1425 41.95496
193.6246 41.71451
194.1067 41.38312
194.5888 40.68233
195.0709 39.66003
195.5530 38.76822
196.0352 38.03108
196.5173 37.37616
196.9994 36.68352
197.4815 35.95061
197.9636 35.20734
198.4457 34.43709
198.9279 33.59631
199.4100 32.85083
199.8921 32.23871
200.3742 31.66255
200.8563 30.96809
201.3384 30.14685
201.8206 29.20526
202.3027 28.03889
202.7848 26.59778
203.2669 25.53481
203.7490 24.98393
204.2311 24.66586
204.7133 23.98775
205.1954 22.88135
205.6775 21.70303
206.1596 20.63129
206.6417 19.68372
207.1238 18.69989
207.6060 17.67264
208.0881 16.60110
208.5702 15.45071
209.0523 14.17090
209.5344 12.96451
210.0165 11.96481
210.4987 11.22806
210.9808 10.41403
211.4629 9.535400
211.9450 8.560440
212.4271 7.331635
212.9092 5.644501
213.3914 4.207184
213.8735 3.505394
214.3556 3.876762
214.8377 3.667099
215.3198 2.618660
215.8019 1.098328
216.2841 3.5781998E-02
216.7662 0.4577640
217.2483 0.7523500
217.7304 1.001953
218.2125 1.187202
218.6946 1.387802
219.1767 1.659996
219.6589 1.920952
220.1410 1.931442
220.6231 1.491631
221.1052 1.174423
221.5873 1.292519
222.0694 2.069641
222.5516 2.646973
223.0337 2.988136
223.5158 3.136536
223.9979 3.217598
224.4800 3.247437
224.9621 3.181938
225.4443 3.016602
225.9264 2.798988
226.4085 2.328598
226.8906 1.419640
227.3727 0.3298650
227.8548 0.3424000
228.3370 0.4030990
228.8191 0.3578800
229.3012 0.3905180
229.7833 0.4773250
230.2654 0.7182240
230.7475 1.180847
231.2297 1.773087
231.7118 2.260551
232.1939 2.486343
232.6760 2.858978
233.1581 3.588455
233.6402 4.867165
234.1224 5.957550
234.6045 6.803757
235.0866 7.491737
235.5687 8.178978
236.0508 8.778267
236.5329 9.518021
237.0151 10.53059
237.4972 11.99244
237.9793 13.17246
238.4614 13.92133
238.9435 14.46306
239.4256 15.24834
239.9078 16.36018
240.3899 17.56737
240.8720 18.80090
241.3541 20.06940
241.8362 21.36468
242.3183 22.85873
242.8005 24.30531
243.2826 25.22384
243.7647 25.20285
244.2468 25.32716
244.7289 25.98520
245.2110 27.33584
245.6931 28.56242
246.1753 29.57832
246.6574 30.52516
247.1395 31.66508
247.6216 33.22145
248.1037 34.55249
248.5858 35.37292
249.0680 35.51494
249.5501 36.04350
250.0322 37.15092
250.5143 38.49048
250.9964 39.61067
251.4785 40.49574
251.9607 41.18314
252.4428 41.63130
252.9249 41.79337
253.4070 42.10968
253.8891 42.67989
254.3712 43.31278
254.8534 43.75993
255.3355 43.88701
255.8176 44.09421
256.2997 44.44579
256.7818 44.93436
257.2639 45.72070
257.7461 47.05238
258.2282 48.40708
258.7103 49.13644
259.1924 48.84655
259.6745 48.86765
260.1566 49.57100
260.6388 50.93956
261.1209 52.00152
261.6030 52.63988
262.0851 53.14752
262.5672 53.78145
263.0493 54.58202
263.5315 55.40259
264.0136 56.13512
264.4957 56.82791
264.9778 58.06449
265.4599 60.13165
265.9420 62.23384
266.4242 63.63396
266.9063 64.07684
267.3884 64.69394
267.8705 65.60464
268.3526 66.80361
268.8347 68.39607
269.3169 70.57783
269.7990 72.69680
270.2811 74.27567
270.7632 75.16953
271.2453 76.09011
271.7274 77.12944
272.2096 78.23920
272.6917 79.29632
273.1738 80.28932
273.6559 81.28518
274.1380 82.31845
274.6201 83.39206
275.1023 84.42368
275.5844 85.37463
276.0665 86.31511
276.5486 87.54027
277.0307 89.16015
277.5128 90.56791
277.9950 91.34357
278.4771 91.45142
278.9592 91.85643
279.4413 92.65070
279.9234 93.58316
280.4055 94.31369
280.8877 94.86954
281.3698 95.17695
281.8519 95.06493
282.3340 94.54034
282.8161 94.36203
283.2982 94.62749
283.7804 95.03772
284.2625 95.22478
284.7446 95.21573
285.2267 94.96114
285.7088 94.41148
286.1909 93.53507
286.6730 92.24155
287.1552 90.45659
287.6373 88.55901
288.1194 87.17446
288.6015 86.24514
289.0836 84.93279
289.5657 82.79751
290.0479 80.09548
290.5300 77.69291
291.0121 75.62059
291.4942 73.75790
291.9763 72.14409
292.4584 70.72411
292.9406 69.04523
293.4227 66.97118
293.9048 64.60360
294.3869 62.10558
294.8690 59.46814
295.3511 56.88313
295.8333 54.53374
296.3154 52.36139
296.7975 50.08235
297.2796 47.64340
297.7617 45.10925
298.2438 42.46144
298.7260 39.76643
299.2081 37.33485
299.6902 35.56664
300.1723 34.22839
300.6544 32.71384
301.1365 30.89832
301.6187 29.02768
302.1008 27.38029
302.5829 25.94415
303.0650 24.60341
303.5471 23.28774
304.0292 22.02549
304.5114 20.85606
304.9935 19.76981
305.4756 18.78810
305.9577 17.94975
306.4398 17.22263
306.9219 16.53060
307.4041 15.74243
307.8862 14.99149
308.3683 14.45006
308.8504 14.15691
309.3325 13.81068
309.8146 13.00578
310.2968 12.01730
310.7789 11.21983
311.2610 11.05395
311.7431 10.99729
312.2252 10.63451
312.7073 9.976944
313.1895 9.342804
313.6716 8.856873
314.1537 8.539345
314.6358 8.441833
315.1179 8.870361
315.6000 9.171288
316.0822 8.829521
316.5643 8.010330
317.0464 7.387390
317.5285 7.361038
318.0106 7.581978
318.4927 7.828110
318.9749 8.132805
319.4570 8.292076
319.9391 8.169502
320.4212 7.853897
320.9033 7.539589
321.3854 7.206367
321.8676 6.939522
322.3497 6.818108
322.8318 6.944260
323.3139 6.950279
323.7960 6.639580
324.2781 6.189728
324.7603 5.851410
325.2424 5.746208
325.7245 5.684662
326.2066 5.609856
326.6887 5.510765
327.1708 5.459572
327.6530 5.457809
328.1351 5.511948
328.6172 5.626564
329.0993 5.860313
329.5814 6.092392
330.0635 6.316704
330.5457 6.532600
331.0278 6.717110
331.5099 6.832062
331.9920 6.947060
332.4741 7.120880
332.9562 7.533356
333.4384 7.691078
333.9205 7.424217
334.4026 6.875221
334.8847 6.579346
335.3668 6.706764
335.8489 6.834763
336.3311 6.745750
336.8132 6.330658
337.2953 6.004189
337.7774 5.766846
338.2595 5.620392
338.7416 5.604401
339.2238 5.778709
339.7059 5.900452
340.1880 5.847023
340.6701 5.609024
341.1522 5.543884
341.6343 5.750763
342.1164 5.917046
342.5985 5.549980
343.0807 4.566322
343.5628 3.857201
344.0449 3.720215
344.5270 4.031250
345.0091 4.304932
345.4912 4.564224
345.9734 4.639595
346.4555 4.236649
346.9376 3.432281
347.4197 2.810577
347.9018 2.316406
348.3839 2.295273
348.8661 2.233253
349.3482 2.132843
349.8303 1.880424
350.3124 1.822594
350.7945 1.685829
351.2766 1.545021
351.7588 1.512451
352.2409 1.278320
352.7230 1.242485
353.2051 1.126350
353.6872 1.045784
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355.1336 0.6900560
355.6157 0.5866930
356.0978 0.4138950
356.5799 0.3302230
357.0620 8.4472999E-02
357.5442 2.0996001E-02
358.0263 0.1340180
358.5084 0.2145610
358.9905 0.3270720
359.4726 0.4702300
359.9547 0.6389920
360.4369 0.9307710
360.9190 1.191643
361.4011 1.274811
361.8832 1.059647
362.3653 0.8395310
362.8474 0.7262730
363.3296 0.7012860
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364.2938 0.9165800
364.7759 1.047966
365.2580 0.9528200
365.7401 0.5211870
366.2223 0.2786480
366.7044 0.6012800
367.1865 1.076057
367.6686 1.242516
368.1507 0.6122510
368.6328 0.1055220
369.1150 3.8220000E-03
369.5971 0.2941590
370.0792 0.4070050
370.5613 0.1048890
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371.5255 0.3263930
372.0077 3.7018001E-02
372.4898 0.2368620
372.9719 0.1937410
373.4540 2.6962001E-02
373.9361 0.2284770
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374.9004 0.5748370
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376.3467 0.6940540
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378.2752 2.065521
378.7573 2.129082
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379.7215 3.671928
380.2036 4.396645
380.6858 4.796608
381.1679 5.076546
381.6500 5.415222
382.1321 5.835587
382.6142 6.333839
383.0963 6.916550
383.5785 7.514961
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384.5427 8.409668
385.0248 8.862709
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391.7744 19.97773
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397.5598 29.85791
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399.9704 33.16195
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412.5054 35.96915
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413.9518 31.49664
414.4339 30.34595
414.9160 29.18652
415.3981 27.68070
415.8802 25.99992
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417.3266 22.76670
417.8087 21.70982
418.2908 20.40113
418.7729 19.24831
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420.2193 17.93160
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422.1478 13.49026
422.6299 12.79405
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429.3795 2.718102
429.8616 2.528076
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430.8259 2.188576
431.3080 1.925156
431.7901 1.532959
432.2722 1.031700
432.7543 0.3611370
433.2365 0.5152970
433.7186 1.186661
434.2007 1.457458
434.6828 1.415253
435.1649 1.402718
435.6470 1.426231
436.1292 1.492531
436.6113 1.723816
437.0934 2.007889
437.5755 1.930092
438.0576 1.305092
438.5397 0.6323170
439.0219 0.6178670
439.5040 1.077827
439.9861 1.460770
440.4682 1.357040
440.9503 1.128151
441.4324 1.170929
441.9146 1.496460
442.3967 1.762749
442.8788 1.702217
443.3609 1.501205
443.8430 1.358017
444.3251 1.416084
444.8073 1.410622
445.2894 1.185898
445.7715 0.8231350
446.2536 0.5325700
446.7357 0.5497060
447.2178 0.4879230
447.7000 0.1863020
448.1821 0.4086610
448.6642 1.069450
449.1463 1.975159
449.6284 2.821526
450.1105 3.313034
450.5927 3.160599
451.0747 3.166328
451.5569 3.420021
452.0390 3.905807
452.5211 4.611282
453.0032 5.595749
453.4853 6.627113
453.9674 7.548294
454.4496 8.351486
454.9317 9.355904
455.4138 10.62787
455.8959 11.90616
456.3780 12.73210
456.8601 13.17980
457.3423 13.88718
457.8244 15.04730
458.3065 16.57150
458.7886 18.38871
459.2707 20.48269
459.7528 22.48548
460.2350 24.02628
460.7171 25.40619
461.1992 27.04202
461.6813 28.95776
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