#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:41:53 +0300 (Thu, 07 Jun 2018) $
#$Revision: 932 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000403.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_1000403
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 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            R060193.rod
_rod_data_source.block           3500000
_rod_database.code               1000403
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
157.6460 0.0000000E+00
158.1281 8.879528
158.6102 8.038731
159.0923 9.034504
159.5744 0.4556690
160.0566 2.181851
160.5387 1.288243
161.0208 0.2857460
161.5029 1.341864
161.9850 6.047745
162.4671 12.87064
162.9493 23.77717
163.4314 40.19122
163.9135 64.68284
164.3956 91.35175
164.8777 117.5313
165.3598 143.6461
165.8420 171.8387
166.3241 202.9865
166.8062 236.7126
167.2883 272.7359
167.7704 312.6464
168.2525 352.7068
168.7346 390.7675
169.2168 426.9803
169.6989 462.8569
170.1810 497.3289
170.6631 532.4587
171.1452 570.9758
171.6273 616.9054
172.1095 663.6932
172.5916 706.9067
173.0737 746.7749
173.5558 784.3194
174.0379 819.5917
174.5201 852.8174
175.0022 884.7428
175.4843 915.7109
175.9664 945.4955
176.4485 973.3469
176.9306 999.1365
177.4128 1022.581
177.8949 1044.357
178.3770 1063.619
178.8591 1078.815
179.3412 1089.506
179.8233 1095.662
180.3055 1097.525
180.7876 1095.116
181.2697 1087.941
181.7518 1073.813
182.2339 1054.195
182.7160 1032.899
183.1982 1012.881
183.6803 992.4477
184.1624 967.1190
184.6445 936.5780
185.1266 904.8030
185.6087 876.0745
186.0909 849.7088
186.5730 824.3371
187.0551 799.5597
187.5372 775.4276
188.0193 751.1064
188.5014 729.7110
188.9836 713.2595
189.4657 698.0974
189.9478 684.1979
190.4299 671.5496
190.9120 660.4633
191.3941 648.6266
191.8763 640.7454
192.3584 638.2965
192.8405 638.1063
193.3226 635.0415
193.8047 629.1941
194.2868 623.9342
194.7690 620.2613
195.2511 615.3273
195.7332 606.9005
196.2153 596.6058
196.6974 585.2912
197.1795 573.6951
197.6617 561.7398
198.1438 549.0660
198.6259 535.1731
199.1080 520.3940
199.5901 507.0896
200.0722 495.7103
200.5544 485.1517
201.0365 474.1197
201.5186 462.8848
202.0007 450.4866
202.4828 436.0984
202.9649 419.5357
203.4471 403.2800
203.9292 387.1976
204.4113 371.3033
204.8934 355.2638
205.3755 339.0511
205.8576 323.4057
206.3398 308.8376
206.8219 295.4915
207.3040 282.1748
207.7861 269.1421
208.2682 256.0819
208.7503 242.4417
209.2325 228.3783
209.7146 213.8280
210.1967 198.6765
210.6788 182.7744
211.1609 167.0370
211.6430 151.2953
212.1252 135.8105
212.6073 121.4500
213.0894 108.4539
213.5715 96.13819
214.0536 84.34768
214.5357 73.20723
215.0179 61.89654
215.5000 51.72540
215.9821 41.47075
216.4642 32.26994
216.9463 24.77091
217.4284 17.24957
217.9105 8.765951
218.3927 0.9547040
218.8748 10.12589
219.3569 19.12530
219.8390 27.41670
220.3211 23.52510
220.8032 19.50770
221.2854 15.96552
221.7675 11.94222
222.2496 7.332834
222.7317 2.580685
223.2138 3.363317
223.6959 8.935776
224.1781 10.50447
224.6602 5.802240
225.1423 1.019463
225.6244 1.184158
226.1065 0.3867300
226.5886 1.050486
227.0708 0.6703870
227.5529 0.5064370
228.0350 1.940748
228.5171 3.515079
228.9992 5.505533
229.4813 7.928900
229.9635 10.58063
230.4456 14.38158
230.9277 19.72153
231.4098 26.02440
231.8919 24.01417
232.3740 17.77179
232.8562 11.64236
233.3383 5.686926
233.8204 4.1751999E-02
234.3025 5.970921
234.7846 12.82265
235.2667 19.81148
235.7489 25.36679
236.2310 28.02001
236.7131 31.63345
237.1952 37.52720
237.6773 45.95248
238.1594 55.82081
238.6416 68.20741
239.1237 81.40862
239.6058 92.46597
240.0879 99.93824
240.5700 107.7461
241.0521 117.1213
241.5343 128.2106
242.0164 139.9514
242.4985 152.5243
242.9806 165.5984
243.4627 178.8340
243.9448 192.8969
244.4270 205.8709
244.9091 216.7121
245.3912 224.6695
245.8733 234.6119
246.3554 247.4715
246.8375 261.5128
247.3197 274.5518
247.8018 286.3838
248.2839 297.5286
248.7660 307.8809
249.2481 317.3086
249.7302 327.4082
250.2124 338.3322
250.6945 349.9020
251.1766 362.2536
251.6587 376.3493
252.1408 389.3778
252.6229 400.1934
253.1051 408.6435
253.5872 419.2104
254.0693 433.3380
254.5514 448.1724
255.0335 460.6250
255.5156 469.3023
255.9978 478.4021
256.4799 488.8170
256.9620 500.5552
257.4441 512.1315
257.9262 523.7441
258.4083 534.8702
258.8904 544.5062
259.3726 551.3723
259.8547 560.1189
260.3368 572.0205
260.8189 586.8088
261.3010 600.4053
261.7831 612.3929
262.2653 623.8145
262.7474 635.3442
263.2295 647.2219
263.7116 658.8488
264.1937 670.3716
264.6758 681.6280
265.1580 691.9014
265.6401 700.3104
266.1222 709.3199
266.6043 721.2540
267.0864 737.7873
267.5685 751.3890
268.0507 760.4266
268.5328 766.3140
269.0149 774.7942
269.4970 787.1395
269.9791 799.2667
270.4612 808.5811
270.9434 814.2100
271.4255 820.9980
271.9076 829.4524
272.3897 839.1596
272.8718 849.3505
273.3539 860.2408
273.8361 870.7364
274.3182 880.1793
274.8003 888.4049
275.2824 896.6802
275.7645 905.3545
276.2466 913.3833
276.7288 918.2063
277.2109 919.2310
277.6930 919.2149
278.1751 920.0351
278.6572 921.9114
279.1393 924.4714
279.6215 928.4855
280.1036 931.8043
280.5857 930.6722
281.0678 924.6208
281.5499 917.3439
282.0320 910.7222
282.5142 905.0500
282.9963 898.8180
283.4784 891.7758
283.9605 883.9264
284.4426 875.6611
284.9247 867.0161
285.4069 856.4789
285.8890 842.7002
286.3711 826.5575
286.8532 812.1786
287.3353 799.8645
287.8174 787.5995
288.2996 773.6487
288.7817 758.0088
289.2638 741.0815
289.7459 723.6263
290.2280 705.5480
290.7101 684.7492
291.1923 660.8766
291.6744 637.7632
292.1565 619.1537
292.6386 603.9939
293.1207 587.4155
293.6028 567.8478
294.0850 546.8221
294.5671 526.4305
295.0492 506.6306
295.5313 486.8300
296.0134 466.2128
296.4955 445.4785
296.9777 426.8600
297.4598 411.2272
297.9419 396.8275
298.4240 380.8495
298.9061 363.8301
299.3882 348.1201
299.8704 336.8832
300.3525 327.9612
300.8346 316.6746
301.3167 302.2747
301.7988 286.8455
302.2809 271.1327
302.7631 255.9914
303.2452 243.3321
303.7273 235.6749
304.2094 230.3113
304.6915 224.1438
305.1736 217.0172
305.6558 209.1559
306.1379 200.1573
306.6200 190.6850
307.1021 181.9546
307.5842 174.2342
308.0663 167.5083
308.5485 162.0325
309.0306 157.8033
309.5127 153.5005
309.9948 147.9331
310.4769 141.6673
310.9590 135.3884
311.4412 129.8391
311.9233 124.1689
312.4054 117.3259
312.8875 109.5657
313.3696 102.5886
313.8517 97.96169
314.3339 94.27783
314.8160 90.77478
315.2981 86.77403
315.7802 83.23331
316.2623 81.21337
316.7444 80.15065
317.2266 78.43388
317.7087 74.26073
318.1908 69.85544
318.6729 66.95607
319.1550 66.65167
319.6371 65.46632
320.1193 61.67894
320.6014 56.48688
321.0835 51.70915
321.5656 47.50547
322.0477 44.10705
322.5298 41.67940
323.0120 40.32175
323.4941 39.34454
323.9762 38.82576
324.4583 38.51172
324.9404 38.12934
325.4225 38.17389
325.9047 37.61639
326.3868 35.79280
326.8689 32.64631
327.3510 30.48534
327.8331 30.11647
328.3152 30.44894
328.7974 30.72990
329.2795 30.73867
329.7616 30.97742
330.2437 31.63412
330.7258 32.60501
331.2079 33.33166
331.6901 33.82823
332.1722 34.04433
332.6543 33.87412
333.1364 32.62498
333.6185 32.20670
334.1006 32.85977
334.5828 34.25731
335.0649 35.78948
335.5470 38.12180
336.0291 39.39053
336.5112 38.36525
336.9933 34.14975
337.4755 32.57729
337.9576 35.02805
338.4397 38.56006
338.9218 38.94131
339.4039 35.30511
339.8860 31.69122
340.3681 29.48525
340.8503 28.49320
341.3324 25.70446
341.8145 20.23073
342.2966 15.42633
342.7787 14.97909
343.2608 19.13595
343.7430 22.74798
344.2251 25.08189
344.7072 26.02438
345.1893 24.57180
345.6714 20.51827
346.1535 16.48955
346.6357 14.60056
347.1178 14.48662
347.5999 13.86325
348.0820 12.31341
348.5641 10.53504
349.0462 9.829353
349.5284 10.02662
350.0105 9.879888
350.4926 8.308591
350.9747 5.971258
351.4568 4.598951
351.9389 4.388205
352.4211 3.948242
352.9032 0.7774560
353.3853 3.782283
353.8674 6.466568
354.3495 4.619028
354.8316 1.083242
355.3138 1.410666
355.7959 2.834538
356.2780 2.784305
356.7601 0.3763990
357.2422 4.723019
357.7243 7.789509
358.2065 8.521506
358.6886 8.357691
359.1707 7.517500
359.6528 6.436470
360.1349 6.424746
360.6170 8.885573
361.0992 8.063572
361.5813 4.354237
362.0634 0.3332980
362.5455 2.211026
363.0276 1.512794
363.5097 0.8787000
363.9919 2.671782
364.4740 3.206548
364.9561 2.984060
365.4382 1.935023
365.9203 2.1268999E-02
366.4024 1.755318
366.8846 3.716935
367.3667 5.195143
367.8488 5.413461
368.3309 1.811403
368.8130 0.5744460
369.2951 0.2215740
369.7773 2.184814
370.2594 2.601716
370.7415 1.295085
371.2236 4.883435
371.7057 3.249607
372.1878 3.409013
372.6700 1.452832
373.1521 0.6554640
373.6342 0.7623690
374.1163 1.367505
374.5984 2.611359
375.0805 3.696395
375.5627 2.038370
376.0448 0.4704260
376.5269 1.879040
377.0090 5.403917
377.4911 9.070265
377.9732 11.39625
378.4554 12.03211
378.9375 14.35973
379.4196 19.96946
379.9017 27.37736
380.3838 30.38462
380.8659 28.50881
381.3481 25.66672
381.8302 23.88822
382.3123 23.33234
382.7944 25.65009
383.2765 31.87831
383.7586 38.88553
384.2408 41.28041
384.7229 39.76863
385.2050 38.87933
385.6871 41.17601
386.1692 45.57164
386.6513 50.44522
387.1335 55.73643
387.6156 60.90865
388.0977 65.14462
388.5798 68.89846
389.0619 73.13176
389.5440 78.33452
390.0262 83.55837
390.5083 88.13867
390.9904 92.13473
391.4725 95.64034
391.9546 98.06479
392.4367 100.3205
392.9189 103.2594
393.4010 107.2548
393.8831 111.2505
394.3652 114.4047
394.8473 117.1890
395.3294 120.4455
395.8116 125.0560
396.2937 129.6736
396.7758 133.6736
397.2579 136.9436
397.7400 140.2551
398.2221 144.3436
398.7043 148.2022
399.1864 150.9824
399.6685 151.5918
400.1506 152.2552
400.6327 153.2918
401.1148 154.6097
401.5970 155.7474
402.0791 156.9479
402.5612 157.6349
403.0433 157.3457
403.5254 155.2702
404.0075 154.7362
404.4897 157.0390
404.9718 159.8486
405.4539 159.2740
405.9360 154.2823
406.4181 149.2216
406.9002 145.3031
407.3824 142.4339
407.8645 139.3726
408.3466 136.0573
408.8287 132.7086
409.3108 129.6526
409.7929 126.8485
410.2751 123.4972
410.7572 119.3253
411.2393 114.4436
411.7214 109.5674
412.2035 104.9344
412.6856 100.3239
413.1678 95.55742
413.6499 90.41431
414.1320 84.23228
414.6141 76.80682
415.0962 69.28234
415.5783 62.84691
416.0605 57.49929
416.5426 52.91235
417.0247 49.50278
417.5068 46.44127
417.9889 43.22897
418.4710 39.60458
418.9532 35.11039
419.4353 28.27973
419.9174 21.35289
420.3995 16.13321
420.8816 13.36567
421.3637 11.49956
421.8459 10.34027
422.3280 9.507766
422.8101 8.443222
423.2922 7.115877
423.7743 5.373935
424.2564 2.827399
424.7386 0.6663190
425.2207 2.922013
425.7028 1.863811
426.1849 1.284871
426.6670 0.2484100
427.1491 1.858190
427.6313 4.469822
428.1134 7.770799
428.5955 10.73650
429.0776 11.80827
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430.0418 9.737323
430.5240 8.653925
431.0061 7.552632
431.4882 6.571480
431.9703 5.712856
432.4524 4.728401
432.9345 3.319892
433.4167 1.666563
433.8988 0.5902660
434.3809 0.8222230
434.8630 1.298640
435.3451 1.081208
435.8272 6.185953
436.3094 8.528746
436.7915 6.739440
437.2736 6.747721
437.7557 6.547325
438.2378 6.024824
438.7199 4.809051
439.2020 1.949374
439.6841 1.867888
440.1663 5.232485
440.6484 8.095475
441.1305 9.886940
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442.5768 5.056562
443.0590 6.761652
443.5411 8.722697
444.0232 8.149538
444.5053 3.285487
444.9874 1.446595
445.4695 5.273365
445.9517 7.928838
446.4338 9.003600
446.9159 7.327749
447.3980 5.137658
447.8801 2.625856
448.3622 0.3051120
448.8444 1.822279
449.3265 0.6502980
449.8086 0.7981400
450.2907 0.9533560
450.7728 0.6487250
451.2549 2.611492
451.7371 4.963819
452.2192 7.582191
452.7013 10.07857
453.1834 12.28913
453.6655 14.89264
454.1476 17.76531
454.6298 21.03010
455.1119 27.10219
455.5940 36.40932
456.0761 45.88719
456.5582 51.42072
457.0403 53.97681
457.5225 58.79149
458.0046 67.04430
458.4867 77.50298
458.9688 88.86169
459.4509 100.9493
459.9330 112.5750
460.4152 122.3767
460.8973 131.9066
461.3794 142.9405
461.8615 155.7469
462.3436 169.2197
462.8257 182.7429
463.3079 196.6737
463.7900 211.4563
464.2721 228.2235
464.7542 244.8964
465.2363 260.1754
465.7184 274.6901
466.2006 290.2168
466.6827 306.8146
467.1648 324.8649
467.6469 344.7878
468.1290 367.2933
468.6111 388.8561
469.0933 408.4656
469.5754 427.9231
470.0575 449.1002
470.5396 472.2925
471.0217 496.5720
471.5038 522.3315
471.9860 549.1631
472.4681 576.4286
472.9502 604.6743
473.4323 631.6170
473.9144 654.8906
474.3965 674.7839
474.8787 697.7032
475.3608 723.9241
475.8429 751.3655
476.3250 777.6907
476.8071 802.9659
477.2892 827.9304
477.7714 853.2004
478.2535 877.1165
478.7356 896.4810
479.2177 912.0573
479.6998 926.6621
480.1819 943.5401
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