#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:42:41 +0300 (Thu, 07 Jun 2018) $
#$Revision: 945 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000414.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_1000414
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        R070598
_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            R070598.rod
_rod_data_source.block           3500000
_rod_database.code               1000414
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
173.4754 0.0000000E+00
173.9575 0.8793950
174.4396 2.763672
174.9217 10.27002
175.4039 33.79932
175.8860 59.85791
176.3681 84.52393
176.8502 105.9243
177.3323 121.8481
177.8144 114.8730
178.2966 105.0679
178.7787 135.2407
179.2608 213.4404
179.7429 300.0405
180.2250 347.9062
180.7071 362.2739
181.1893 366.5679
181.6714 356.2051
182.1535 344.5933
182.6356 375.3511
183.1177 467.5210
183.5998 577.5723
184.0820 628.1782
184.5641 621.8496
185.0462 606.6685
185.5283 615.2632
186.0104 644.4048
186.4925 680.4941
186.9747 724.0229
187.4568 772.9966
187.9389 820.5122
188.4210 866.7114
188.9031 909.7241
189.3852 946.5200
189.8673 976.8442
190.3495 1002.219
190.8316 1018.872
191.3137 1030.567
191.7958 1055.843
192.2779 1096.900
192.7600 1144.480
193.2422 1189.323
193.7243 1231.142
194.2064 1268.520
194.6885 1300.749
195.1706 1327.899
195.6527 1348.274
196.1349 1358.748
196.6170 1367.262
197.0991 1394.341
197.5812 1444.392
198.0633 1483.769
198.5454 1488.712
199.0276 1458.488
199.5097 1444.176
199.9918 1452.601
200.4739 1474.657
200.9560 1483.242
201.4381 1462.838
201.9203 1427.969
202.4024 1410.829
202.8845 1410.672
203.3666 1410.883
203.8487 1419.462
204.3308 1420.070
204.8130 1399.530
205.2951 1335.582
205.7772 1269.030
206.2593 1225.456
206.7414 1209.880
207.2235 1189.253
207.7057 1154.313
208.1878 1107.276
208.6699 1079.687
209.1520 1083.757
209.6341 1088.648
210.1162 1054.513
210.5983 967.0186
211.0805 883.3647
211.5626 821.3882
212.0447 783.9263
212.5268 737.9937
213.0089 675.1831
213.4910 611.2134
213.9732 574.3066
214.4553 573.8877
214.9374 578.2866
215.4195 575.3940
215.9016 561.7285
216.3837 554.0903
216.8659 555.4985
217.3480 561.2988
217.8301 561.0942
218.3122 553.8159
218.7943 542.4399
219.2764 528.2407
219.7586 511.3501
220.2407 491.5566
220.7228 470.5278
221.2049 446.3779
221.6870 411.0889
222.1691 361.0786
222.6513 305.7427
223.1334 250.7954
223.6155 194.8530
224.0976 141.1675
224.5797 86.97119
225.0618 34.26611
225.5440 4.635742
226.0261 23.35498
226.5082 35.21289
226.9903 50.97998
227.4724 78.63867
227.9545 93.89209
228.4367 86.91357
228.9188 57.97998
229.4009 86.12891
229.8830 38.96729
230.3651 14.17920
230.8472 10.52490
231.3293 86.53760
231.8115 54.16455
232.2936 64.95117
232.7757 77.38672
233.2578 29.25537
233.7399 92.57812
234.2220 45.36279
234.7042 42.27686
235.1863 19.01416
235.6684 46.53613
236.1505 27.82178
236.6326 8.586426
237.1147 33.07275
237.5969 33.35791
238.0790 29.03857
238.5611 51.90918
239.0432 113.9312
239.5253 185.0952
240.0074 257.4209
240.4896 333.6895
240.9717 401.0522
241.4538 449.5967
241.9359 492.5703
242.4180 562.3779
242.9001 682.1553
243.3823 794.0718
243.8644 872.1270
244.3465 895.2324
244.8286 930.3276
245.3107 976.9121
245.7928 1035.850
246.2750 1109.744
246.7571 1206.684
247.2392 1307.775
247.7213 1404.625
248.2034 1495.342
248.6855 1583.815
249.1677 1667.284
249.6498 1749.014
250.1319 1840.638
250.6140 1947.315
251.0961 2057.899
251.5782 2167.675
252.0603 2278.185
252.5425 2384.480
253.0246 2485.675
253.5067 2581.718
253.9888 2676.432
254.4709 2763.704
254.9530 2856.784
255.4352 2965.354
255.9173 3091.950
256.3994 3229.869
256.8815 3385.221
257.3636 3555.475
257.8458 3706.434
258.3279 3829.137
258.8100 3944.722
259.2921 4070.717
259.7742 4217.909
260.2563 4350.861
260.7385 4467.195
261.2206 4566.785
261.7027 4639.313
262.1848 4681.699
262.6669 4701.767
263.1490 4707.710
263.6311 4702.325
264.1133 4674.923
264.5954 4621.931
265.0775 4544.137
265.5596 4452.396
266.0417 4346.379
266.5238 4228.127
267.0060 4101.192
267.4881 3966.283
267.9702 3815.126
268.4523 3639.334
268.9344 3437.304
269.4165 3256.127
269.8987 3098.713
270.3808 2956.939
270.8629 2821.663
271.3450 2692.953
271.8271 2571.130
272.3092 2454.777
272.7914 2343.819
273.2735 2254.839
273.7556 2192.530
274.2377 2141.949
274.7198 2082.066
275.2019 2009.868
275.6841 1944.958
276.1662 1895.471
276.6483 1861.583
277.1304 1823.634
277.6125 1779.101
278.0946 1735.956
278.5768 1707.742
279.0589 1696.250
279.5410 1684.367
280.0231 1659.973
280.5052 1624.634
280.9873 1616.824
281.4695 1643.152
281.9516 1680.930
282.4337 1699.166
282.9158 1697.966
283.3979 1686.221
283.8800 1658.164
284.3622 1616.246
284.8443 1589.121
285.3264 1576.063
285.8085 1571.086
286.2906 1574.246
286.7727 1587.833
287.2549 1591.410
287.7370 1580.067
288.2191 1553.884
288.7012 1521.935
289.1833 1480.413
289.6654 1434.206
290.1476 1374.027
290.6297 1301.184
291.1118 1231.169
291.5939 1161.002
292.0760 1098.745
292.5581 1048.127
293.0403 1012.881
293.5224 977.9321
294.0045 929.8398
294.4866 870.6836
294.9687 806.1909
295.4508 731.1567
295.9330 652.9282
296.4151 590.6396
296.8972 547.5068
297.3793 515.4658
297.8614 486.5771
298.3435 461.2646
298.8257 441.6494
299.3078 433.4966
299.7899 430.6104
300.2720 421.5908
300.7541 404.2803
301.2362 386.7017
301.7184 374.3955
302.2005 367.9487
302.6826 368.4663
303.1647 387.0552
303.6468 408.7695
304.1289 410.8843
304.6110 387.5605
305.0931 364.3311
305.5753 360.9155
306.0574 374.3672
306.5395 397.0894
307.0216 443.5498
307.5037 488.2974
307.9858 502.1514
308.4680 477.0479
308.9501 449.9438
309.4322 444.4414
309.9143 455.4595
310.3964 473.2617
310.8785 493.8066
311.3607 519.2832
311.8428 553.6172
312.3249 599.5562
312.8070 641.7778
313.2891 658.0688
313.7712 667.1943
314.2534 700.4692
314.7355 801.2485
315.2176 905.4346
315.6997 980.0801
316.1818 1018.557
316.6639 1040.252
317.1461 1042.573
317.6282 1034.747
318.1103 1029.873
318.5924 1049.106
319.0745 1057.747
319.5566 1039.429
320.0388 988.7432
320.5209 931.2212
321.0030 862.5913
321.4851 793.3984
321.9672 736.6519
322.4493 706.6758
322.9315 679.2500
323.4136 649.1772
323.8957 617.1353
324.3778 577.7939
324.8599 522.1265
325.3420 461.8887
325.8242 410.5366
326.3063 361.2700
326.7884 328.7344
327.2705 322.1597
327.7526 348.5718
328.2347 360.3755
328.7169 348.9883
329.1990 327.4448
329.6811 308.7495
330.1632 290.5220
330.6453 278.5112
331.1274 278.3091
331.6096 292.1836
332.0917 243.6431
332.5738 277.0098
333.0559 287.8823
333.5380 277.4707
334.0201 182.0215
334.5023 196.3613
334.9844 166.6899
335.4665 135.2056
335.9486 164.9683
336.4307 81.83789
336.9128 110.6118
337.3950 94.70068
337.8771 99.22803
338.3592 59.47266
338.8413 33.38428
339.3234 51.57666
339.8055 45.24121
340.2877 0.3662110
340.7698 46.44531
341.2519 64.46533
341.7340 78.05713
342.2161 77.41357
342.6982 54.62500
343.1804 20.04102
343.6624 6.278320
344.1446 15.11084
344.6267 28.78809
345.1088 33.50684
345.5909 30.68799
346.0730 29.22168
346.5551 31.72119
347.0373 35.29443
347.5194 33.97656
348.0015 28.00928
348.4836 21.55322
348.9657 21.10547
349.4478 22.28223
349.9300 11.69727
350.4121 18.30518
350.8942 49.49268
351.3763 55.53223
351.8584 40.96973
352.3405 25.81348
352.8227 17.40234
353.3048 17.33936
353.7869 30.09375
354.2690 60.14551
354.7511 91.78223
355.2332 114.6968
355.7154 129.4517
356.1975 136.7217
356.6796 126.0220
357.1617 114.4365
357.6438 118.1592
358.1259 143.2959
358.6081 168.1724
359.0902 178.5161
359.5723 181.3564
360.0544 188.4824
360.5365 215.2197
361.0186 238.7930
361.5008 247.5381
361.9829 239.0039
362.4650 222.9570
362.9471 189.4380
363.4292 153.9692
363.9113 135.6406
364.3935 147.5229
364.8756 168.6909
365.3577 198.6460
365.8398 240.2104
366.3219 267.1289
366.8040 253.4307
367.2862 234.3398
367.7683 243.4297
368.2504 311.0708
368.7325 371.8896
369.2146 413.1890
369.6967 434.5132
370.1789 466.8516
370.6610 517.4204
371.1431 570.7861
371.6252 615.7192
372.1073 653.6104
372.5894 678.6450
373.0716 682.9736
373.5537 672.4644
374.0358 688.0620
374.5179 743.6167
375.0000 795.8770
375.4821 803.8540
375.9643 753.9468
376.4464 749.9878
376.9285 816.3105
377.4106 923.7368
377.8927 996.1768
378.3748 1032.272
378.8570 1049.654
379.3391 1048.938
379.8212 1034.498
380.3033 1045.987
380.7854 1090.127
381.2675 1148.894
381.7497 1191.209
382.2318 1220.100
382.7139 1258.711
383.1960 1322.544
383.6781 1405.617
384.1602 1494.683
384.6423 1591.043
385.1245 1685.534
385.6066 1767.741
386.0887 1841.449
386.5708 1913.652
387.0529 1995.930
387.5350 2071.918
388.0172 2131.860
388.4993 2176.178
388.9814 2190.332
389.4635 2154.293
389.9456 2084.579
390.4277 2003.892
390.9099 1906.127
391.3920 1809.379
391.8741 1726.486
392.3562 1656.932
392.8383 1587.986
393.3204 1504.225
393.8026 1424.049
394.2847 1363.310
394.7668 1336.282
395.2489 1315.700
395.7310 1297.602
396.2131 1282.063
396.6953 1270.094
397.1774 1261.269
397.6595 1256.927
398.1416 1257.415
398.6237 1264.596
399.1058 1270.097
399.5880 1275.652
400.0701 1280.505
400.5522 1281.974
401.0343 1277.024
401.5164 1273.354
401.9985 1273.032
402.4807 1276.822
402.9628 1278.094
403.4449 1275.456
403.9270 1272.383
404.4091 1276.153
404.8912 1289.972
405.3734 1295.628
405.8555 1284.045
406.3376 1257.469
406.8197 1243.061
407.3018 1243.824
407.7839 1244.591
408.2661 1224.303
408.7482 1184.787
409.2303 1156.453
409.7124 1152.639
410.1945 1160.962
410.6766 1152.539
411.1588 1128.494
411.6409 1105.491
412.1230 1101.805
412.6051 1107.669
413.0872 1103.147
413.5693 1082.615
414.0515 1053.486
414.5336 1019.052
415.0157 981.1855
415.4978 945.0205
415.9799 916.5527
416.4620 889.1997
416.9442 854.0498
417.4263 806.3433
417.9084 765.5356
418.3905 757.5972
418.8726 760.8989
419.3547 742.6636
419.8369 664.1709
420.3190 586.3115
420.8011 538.2612
421.2832 526.4287
421.7653 504.4893
422.2474 450.2852
422.7296 388.8662
423.2117 341.9761
423.6938 328.1631
424.1759 310.9307
424.6580 281.2798
425.1401 241.6772
425.6223 217.1860
426.1043 221.5498
426.5865 225.3569
427.0686 208.5210
427.5507 158.6348
428.0328 121.9658
428.5149 101.2378
428.9970 95.50635
429.4792 109.1904
429.9613 150.7153
430.4434 178.8628
430.9255 167.1523
431.4076 116.5435
431.8897 75.31006
432.3719 44.57471
432.8540 22.21240
433.3361 6.464355
433.8182 2.771484
434.3003 5.921875
434.7824 2.788086
435.2646 15.50293
435.7467 16.03955
436.2288 4.566895
436.7109 12.99854
437.1930 40.53369
437.6751 69.16113
438.1573 82.97754
438.6394 71.76904
439.1215 51.69336
439.6036 31.07031
440.0857 11.13330
440.5678 3.138672
441.0500 4.175293
441.5321 1.619629
442.0142 3.883789
442.4963 17.67920
442.9784 23.35645
443.4605 2.866699
443.9427 28.26562
444.4248 43.11035
444.9069 13.15771
445.3890 11.80078
445.8711 13.37012
446.3532 15.69385
446.8354 36.66260
447.3175 50.36865
447.7996 55.39990
448.2817 49.33545
448.7638 24.87598
449.2459 2.717285
449.7281 16.69287
450.2102 31.95215
450.6923 30.89307
451.1744 6.339844
451.6565 14.28564
452.1386 11.08301
452.6208 16.65332
453.1029 51.91504
453.5850 97.73535
454.0671 141.9585
454.5492 159.1113
455.0313 151.0981
455.5135 140.9946
455.9956 136.3677
456.4777 138.6465
456.9598 157.8335
457.4419 196.3516
457.9240 226.3398
458.4062 201.5654
458.8883 152.2534
459.3704 134.2290
459.8525 191.5913
460.3346 268.1289
460.8167 321.5811
461.2989 356.0762
461.7810 393.0586
462.2631 454.0732
462.7452 516.0342
463.2273 560.9966
463.7094 576.4126
464.1916 591.0527
464.6737 608.8442
465.1558 630.8940
465.6379 659.5786
466.1200 696.6885
466.6021 739.0850
467.0842 786.8643
467.5663 842.3901
468.0485 893.4722
468.5306 935.0693
469.0127 976.3950
469.4948 1030.081
469.9769 1104.858
470.4590 1164.093
470.9412 1193.153
471.4233 1201.697
471.9054 1239.133
472.3875 1310.012
472.8696 1385.966
473.3517 1446.321
473.8339 1493.011
474.3160 1542.067
474.7981 1594.781
475.2802 1652.112
475.7623 1717.005
476.2444 1788.311
476.7266 1861.053
477.2087 1939.723
477.6908 2014.981
478.1729 2078.937
478.6550 2131.322
479.1371 2166.792
479.6193 2178.629
480.1014 2172.365
480.5835 2154.304
481.0656 2118.598
481.5477 2079.119
482.0298 2050.069
482.5120 2024.077
482.9941 1970.868
483.4762 1856.784
483.9583 1734.153
484.4404 1626.026
484.9225 1534.248
485.4047 1457.069
485.8868 1396.716
486.3689 1349.658
486.8510 1310.495
487.3331 1280.871
487.8152 1255.995
488.2974 1232.722
488.7795 1211.865
489.2616 1208.371
489.7437 1225.905
490.2258 1249.329
490.7079 1262.635
491.1901 1266.968
491.6722 1281.638
492.1543 1307.398
492.6364 1349.081
493.1185 1425.016
493.6006 1529.261
494.0828 1627.333
494.5649 1684.837
495.0470 1729.743
495.5291 1807.567
496.0112 1923.484
496.4933 2046.607
496.9755 2154.963
497.4576 2256.870
497.9397 2366.792
498.4218 2494.082
498.9039 2624.257
499.3860 2746.730
499.8682 2864.683
500.3503 2995.522
500.8324 3134.828
501.3145 3289.505
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1266.915 81.75488
1267.397 77.02393
1267.880 69.67432
1268.362 62.88965
1268.844 69.98877
1269.326 81.40820
1269.808 83.92920
1270.290 72.23242
1270.772 71.76953
1271.254 83.99805
1271.736 88.52490
1272.219 68.46924
1272.701 42.28613
1273.183 9.765137
1273.665 8.920410
1274.147 1.059082
1274.629 46.29102
1275.111 76.52197
1275.593 91.16016
1276.075 99.79395
1276.558 107.5303
1277.040 113.3184
1277.522 117.8491
1278.004 119.1841
1278.486 113.4380
1278.968 100.4385
1279.450 90.86621
1279.932 85.07471
1280.415 74.98779
1280.897 39.96191
1281.379 16.78467
1281.861 36.70264
1282.343 70.93848
1282.825 66.24219
1283.307 30.71240
1283.789 21.71387
1284.271 45.44287
1284.754 73.75391
1285.236 111.6826
1285.718 123.3428
1286.200 81.61572
1286.682 27.31738
1287.164 26.52930
1287.646 62.67627
1288.128 89.29834
1288.610 99.27393
1289.093 92.86133
1289.575 52.87939
1290.057 18.29395
1290.539 0.4233400
1291.021 5.024902
1291.503 2.576172
1291.985 6.717773
1292.467 24.20020
1292.950 51.97705
1293.432 70.58887
1293.914 78.96387
1294.396 73.20557
1294.878 37.08545
1295.360 11.43506
1295.842 19.02930
1296.324 37.01514
1296.807 38.38818
1297.289 8.620117
1297.771 0.0000000E+00
