#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:52:04 +0300 (Thu, 07 Jun 2018) $
#$Revision: 974 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000434.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_1000434
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        R040059
_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            R040059.rod
_rod_data_source.block           3500000
_rod_database.code               1000434
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
129.3915 0.0000000E+00
129.8736 0.7429200
130.3557 6.542542
130.8378 12.46588
131.3199 17.16632
131.8020 22.72198
132.2842 28.47064
132.7663 33.53833
133.2484 37.99268
133.7305 41.71179
134.2126 44.09595
134.6947 45.22211
135.1769 46.58990
135.6590 48.31384
136.1411 50.53516
136.6232 54.07678
137.1053 59.13031
137.5874 64.40729
138.0696 68.60815
138.5517 71.57495
139.0338 74.77063
139.5159 78.47760
139.9980 82.66205
140.4801 87.16339
140.9623 91.72510
141.4444 97.06781
141.9265 104.5956
142.4086 115.6600
142.8907 126.8981
143.3728 137.4186
143.8550 146.4805
144.3371 154.6450
144.8192 161.6671
145.3013 166.4398
145.7834 165.9523
146.2655 161.3559
146.7477 155.1684
147.2298 147.8843
147.7119 139.6655
148.1940 130.1057
148.6761 118.6055
149.1582 105.8692
149.6404 93.79358
150.1225 82.41174
150.6046 71.53082
151.0867 61.17462
151.5688 50.97546
152.0509 41.64087
152.5331 33.01544
153.0152 25.14099
153.4973 18.41187
153.9794 13.21161
154.4615 8.925049
154.9436 5.261047
155.4258 2.489929
155.9079 9.8879999E-03
156.3900 2.366760
156.8721 4.542358
157.3542 6.377258
157.8363 7.955017
158.3185 9.104858
158.8006 9.727722
159.2827 9.601868
159.7648 9.127075
160.2469 8.684265
160.7290 8.158936
161.2112 6.530334
161.6933 2.706909
162.1754 2.000183
162.6575 6.499023
163.1396 9.928284
163.6217 13.58093
164.1039 18.03351
164.5860 23.28418
165.0681 28.80402
165.5502 34.32672
166.0323 39.97150
166.5145 45.95557
166.9966 52.62860
167.4787 59.44800
167.9608 66.24341
168.4429 73.02594
168.9250 79.36432
169.4071 84.88770
169.8893 89.81671
170.3714 94.51697
170.8535 98.65668
171.3356 102.9731
171.8177 108.1895
172.2998 114.4360
172.7820 120.9370
173.2641 127.2989
173.7462 133.4771
174.2283 139.4133
174.7104 145.1100
175.1925 150.6172
175.6747 155.7693
176.1568 160.4553
176.6389 165.3219
177.1210 171.4241
177.6031 178.3251
178.0852 184.7250
178.5674 189.0013
179.0495 192.5692
179.5316 198.2628
180.0137 206.7222
180.4958 215.7361
180.9779 223.1002
181.4601 229.0508
181.9422 234.6434
182.4243 240.7809
182.9064 246.9924
183.3885 252.2053
183.8706 256.0817
184.3528 259.2793
184.8349 263.0496
185.3170 267.2481
185.7991 270.8727
186.2812 272.9184
186.7633 273.7068
187.2455 274.2090
187.7276 274.8306
188.2097 275.4526
188.6918 275.8342
189.1739 275.9622
189.6560 276.1664
190.1382 277.0969
190.6203 278.5252
191.1024 278.9681
191.5845 278.0759
192.0666 276.1592
192.5487 273.8419
193.0309 271.1508
193.5130 268.1062
193.9951 264.6881
194.4772 260.9031
194.9593 256.8503
195.4414 252.7172
195.9236 248.2197
196.4057 242.2337
196.8878 234.5316
197.3699 226.6218
197.8520 220.0395
198.3341 214.7394
198.8163 208.9447
199.2984 201.8331
199.7805 193.9293
200.2626 187.8069
200.7447 183.7313
201.2268 180.4088
201.7090 176.7789
202.1911 172.8235
202.6732 168.6835
203.1553 164.2087
203.6374 159.5729
204.1195 156.1188
204.6017 154.1246
205.0838 152.5886
205.5659 150.6324
206.0480 148.2637
206.5301 145.4144
207.0122 141.9788
207.4944 138.0050
207.9765 134.1392
208.4586 130.3477
208.9407 126.7236
209.4228 123.4894
209.9049 120.8317
210.3871 117.8250
210.8692 114.3793
211.3513 110.4966
211.8334 105.5080
212.3155 98.92572
212.7976 92.04657
213.2798 86.39923
213.7619 82.43280
214.2440 78.03290
214.7261 72.51300
215.2082 65.91949
215.6903 59.64746
216.1725 53.63593
216.6546 48.20288
217.1367 43.74402
217.6188 40.33868
218.1009 37.76416
218.5830 36.13428
219.0651 35.55005
219.5473 34.96021
220.0294 34.42297
220.5115 33.57996
220.9936 32.18347
221.4757 29.98883
221.9578 27.76654
222.4400 25.78522
222.9221 24.08929
223.4042 21.74976
223.8863 18.52124
224.3684 14.87793
224.8505 11.19708
225.3327 7.232117
225.8148 3.840820
226.2969 1.276611
226.7790 0.4553830
227.2611 1.530884
227.7432 1.458618
228.2254 1.226013
228.7075 2.147461
229.1896 5.256836
229.6717 7.451965
230.1538 7.840942
230.6359 6.228333
231.1181 4.931335
231.6002 4.431763
232.0823 3.796143
232.5644 1.886658
233.0465 2.005798
233.5286 5.862122
234.0108 9.270813
234.4929 12.24176
234.9750 14.77759
235.4571 16.24121
235.9392 17.82544
236.4213 20.90790
236.9035 26.13000
237.3856 31.64362
237.8677 37.03949
238.3498 42.33685
238.8319 47.96259
239.3140 53.99792
239.7962 60.29761
240.2783 66.86371
240.7604 74.05560
241.2425 80.83191
241.7246 86.86334
242.2067 92.15277
242.6889 97.51471
243.1710 102.7978
243.6531 108.2897
244.1352 114.4475
244.6173 121.8843
245.0994 128.8186
245.5816 135.0484
246.0637 140.5780
246.5458 144.8273
247.0279 147.2149
247.5100 148.9287
247.9921 151.1326
248.4743 154.4426
248.9564 157.0109
249.4385 158.2003
249.9206 158.0628
250.4027 158.9441
250.8848 161.3179
251.3670 164.1871
251.8491 166.6777
252.3312 168.6863
252.8133 170.5807
253.2954 172.4509
253.7775 174.2814
254.2597 175.8734
254.7418 177.2701
255.2239 178.3582
255.7060 179.0788
256.1881 179.5068
256.6702 179.3530
257.1523 178.4549
257.6345 176.8857
258.1166 175.2512
258.5987 173.4877
259.0808 171.7883
259.5629 170.3162
260.0450 169.2213
260.5272 168.0287
261.0093 166.6031
261.4914 165.0349
261.9735 163.8713
262.4556 163.2342
262.9377 162.8206
263.4199 162.2728
263.9020 161.1827
264.3841 161.2979
264.8662 162.8760
265.3483 165.7509
265.8304 169.5169
266.3126 174.4980
266.7947 179.6401
267.2768 184.1459
267.7589 187.7643
268.2410 191.9948
268.7231 197.2539
269.2053 203.1036
269.6874 208.3537
270.1695 213.0480
270.6516 217.1542
271.1337 220.4852
271.6158 222.8680
272.0980 225.5562
272.5801 228.7587
273.0622 232.1606
273.5443 234.7507
274.0264 236.1514
274.5085 238.1326
274.9907 241.9922
275.4728 248.1813
275.9549 252.2930
276.4370 253.6597
276.9191 253.8450
277.4012 255.8858
277.8834 260.0920
278.3655 264.2200
278.8476 267.0844
279.3297 268.6974
279.8118 270.7822
280.2939 273.7910
280.7761 276.8239
281.2582 278.3301
281.7403 278.1127
282.2224 277.7692
282.7045 278.0261
283.1866 278.8314
283.6688 279.5854
284.1509 280.5586
284.6330 280.4960
285.1151 277.5704
285.5972 271.8126
286.0793 265.1569
286.5615 257.8168
287.0436 250.0793
287.5257 243.5396
288.0078 238.2322
288.4899 233.5879
288.9720 229.5787
289.4542 226.0197
289.9363 220.8584
290.4184 213.3458
290.9005 203.9386
291.3826 193.1020
291.8647 180.6746
292.3469 168.5673
292.8290 158.2717
293.3111 149.6519
293.7932 141.6724
294.2753 134.2075
294.7574 127.0865
295.2396 120.3091
295.7217 113.8343
296.2038 107.1132
296.6859 99.09521
297.1680 90.49701
297.6501 83.23853
298.1323 77.83081
298.6144 73.53592
299.0965 69.34109
299.5786 65.27551
300.0607 61.60699
300.5428 58.62576
301.0250 56.05408
301.5071 53.12277
301.9892 49.46118
302.4713 46.19617
302.9534 44.94150
303.4355 45.21707
303.9177 45.37030
304.3998 44.64005
304.8819 43.18463
305.3640 40.93649
305.8461 37.68417
306.3282 34.75980
306.8104 33.62991
307.2925 33.68701
307.7746 33.70343
308.2567 33.11179
308.7388 32.22729
309.2209 31.22562
309.7031 30.11804
310.1852 29.19168
310.6673 28.80478
311.1494 28.68271
311.6315 28.42773
312.1136 27.44800
312.5958 26.60553
313.0779 26.67429
313.5600 27.57263
314.0421 28.26984
314.5242 27.54852
315.0063 26.59970
315.4885 26.60699
315.9706 28.26822
316.4527 30.58618
316.9348 33.56866
317.4169 36.98712
317.8990 39.82288
318.3812 41.01859
318.8633 41.88763
319.3454 43.40115
319.8275 46.49518
320.3096 49.14383
320.7917 50.87631
321.2739 51.74802
321.7560 51.87924
322.2381 50.86844
322.7202 49.48380
323.2023 48.08389
323.6844 46.77582
324.1666 45.29822
324.6487 43.71124
325.1308 41.91385
325.6129 39.76001
326.0950 37.39978
326.5771 34.50293
327.0593 30.72665
327.5414 25.68408
328.0235 21.28043
328.5056 17.87381
328.9877 15.05865
329.4698 12.47156
329.9520 10.26392
330.4341 8.058929
330.9162 5.318573
331.3983 1.964172
331.8804 0.7598570
332.3625 3.799377
332.8447 7.204590
333.3268 8.010101
333.8089 4.483276
334.2910 1.451538
334.7731 0.7450560
335.2552 2.093109
335.7374 2.288239
336.2195 0.4738770
336.7016 1.110565
337.1837 0.8599850
337.6658 2.267059
338.1479 3.596344
338.6301 2.238312
339.1122 0.5541990
339.5943 1.866455
340.0764 1.350647
340.5585 0.4472050
341.0406 0.4098820
341.5227 1.291016
342.0049 1.092621
342.4870 0.6121220
342.9691 2.509125
343.4512 2.310822
343.9333 0.1573180
344.4154 2.065094
344.8976 2.144012
345.3797 0.8262330
345.8618 0.1549380
346.3439 0.1564330
346.8260 0.5750730
347.3081 1.306946
347.7903 2.297913
348.2724 3.208008
348.7545 3.937164
349.2366 4.548157
349.7187 5.298431
350.2008 6.162415
350.6830 6.656982
351.1651 6.081848
351.6472 4.890198
352.1293 4.163116
352.6114 4.144623
353.0935 4.470245
353.5757 5.139465
354.0578 5.912292
354.5399 5.971741
355.0220 4.428864
355.5041 2.107513
355.9862 8.3801001E-02
356.4684 2.064026
356.9505 3.749542
357.4326 4.815674
357.9147 5.570190
358.3968 6.508423
358.8789 7.882294
359.3611 9.480682
359.8432 11.29333
360.3253 13.30212
360.8074 15.09442
361.2895 16.25998
361.7716 17.22113
362.2538 18.35165
362.7359 19.26477
363.2180 20.91623
363.7001 24.30377
364.1822 28.91055
364.6643 32.73123
365.1465 34.71332
365.6286 36.15118
366.1107 37.67276
366.5928 39.23111
367.0749 41.16101
367.5570 44.38132
368.0392 47.88913
368.5213 49.95721
369.0034 49.00296
369.4855 47.90344
369.9676 47.57428
370.4497 48.31888
370.9319 48.21036
371.4140 46.65582
371.8961 44.59305
372.3782 42.92670
372.8603 41.76944
373.3424 40.81430
373.8246 40.15695
374.3067 39.72519
374.7888 38.76862
375.2709 36.82971
375.7530 35.14194
376.2351 34.62473
376.7173 35.63742
377.1994 36.38849
377.6815 36.69601
378.1636 36.77951
378.6457 37.01483
379.1278 37.36267
379.6100 38.15182
380.0921 39.61282
380.5742 41.72552
381.0563 44.24942
381.5384 47.34488
382.0205 50.21332
382.5027 51.63492
382.9848 51.74756
383.4669 51.71652
383.9490 51.87408
384.4311 52.15961
384.9132 52.52371
385.3954 52.95251
385.8775 53.22293
386.3596 52.47290
386.8417 51.47787
387.3238 52.12024
387.8059 55.38068
388.2881 59.13785
388.7702 60.70602
389.2523 60.71109
389.7344 61.23563
390.2165 63.63376
390.6986 67.01227
391.1808 70.65164
391.6629 74.55945
392.1450 78.50378
392.6271 82.46442
393.1092 86.24030
393.5913 89.58807
394.0735 92.06943
394.5556 94.66101
395.0377 97.95032
395.5198 101.6161
396.0019 104.6336
396.4840 106.5191
396.9662 108.1317
397.4483 109.7746
397.9304 111.0849
398.4125 112.8035
398.8946 115.5999
399.3767 118.9149
399.8589 121.4447
400.3410 122.5613
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401.3052 124.6557
401.7873 126.1074
402.2694 126.7576
402.7516 126.4717
403.2337 125.7641
403.7158 125.0784
404.1979 124.4977
404.6800 123.5880
405.1621 122.1372
405.6443 120.2296
406.1264 118.8240
406.6085 118.3876
407.0906 117.3022
407.5727 114.0496
408.0548 108.3976
408.5370 103.5800
409.0191 100.2963
409.5012 97.56207
409.9833 93.40961
410.4654 87.80353
410.9475 82.06903
411.4297 76.86462
411.9118 72.02570
412.3939 67.06158
412.8760 62.12109
413.3581 57.42017
413.8402 52.72809
414.3224 48.38922
414.8045 45.27771
415.2866 44.02661
415.7687 43.60431
416.2508 42.79755
416.7329 41.76410
417.2151 41.14996
417.6972 41.06995
418.1793 41.73511
418.6614 43.42194
419.1435 46.23419
419.6256 49.68127
420.1078 54.01837
420.5899 58.67041
421.0720 62.96149
421.5541 65.78284
422.0362 68.92017
422.5183 73.10706
423.0005 78.32715
423.4826 84.16138
423.9647 91.63269
424.4468 98.97516
424.9289 104.8811
425.4110 107.4700
425.8932 110.8644
426.3753 116.1694
426.8574 122.2578
427.3395 126.5841
427.8216 128.9263
428.3037 129.6972
428.7859 128.8065
429.2680 126.0350
429.7501 123.0594
430.2322 119.9578
430.7143 116.5350
431.1964 112.5432
431.6786 107.8817
432.1607 103.1792
432.6428 98.52686
433.1249 93.94690
433.6070 89.51038
434.0891 85.23206
434.5713 81.05615
435.0534 76.71735
435.5355 72.41254
436.0176 69.12799
436.4997 67.11902
436.9818 65.45276
437.4640 62.91888
437.9461 59.75342
438.4282 56.70581
438.9103 54.46094
439.3924 52.25012
439.8745 48.79700
440.3566 44.28754
440.8387 40.06708
441.3209 37.55817
441.8030 35.53839
442.2851 32.59363
442.7672 27.85651
443.2493 23.42981
443.7314 20.81036
444.2136 19.22845
444.6957 17.34442
445.1778 14.92932
445.6599 11.92755
446.1420 7.789429
446.6241 2.279053
447.1063 1.768372
447.5884 2.843811
448.0705 3.003723
448.5526 3.778259
449.0347 5.987244
449.5168 7.689026
449.9990 8.679016
450.4811 9.119324
450.9632 9.503845
451.4453 10.02936
451.9274 10.11481
452.4095 9.348206
452.8917 7.638977
453.3738 6.617126
453.8559 6.638794
454.3380 6.527832
454.8201 4.845764
455.3022 1.594055
455.7844 1.923767
456.2665 5.680908
456.7486 9.206787
457.2307 11.13995
457.7128 11.59027
458.1949 12.26129
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