#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:43:01 +0300 (Thu, 07 Jun 2018) $
#$Revision: 950 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000418.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_1000418
loop_
_publ_author_name
'Geiger, C. A.'
'Armbruster, T.'
'Khomenko, V.'
'Quartieri, S.'
_publ_section_title
;
 Cordierite I: The coordination of Fe2+ Sample: DA-1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1255
_journal_page_last               1264
_journal_volume                  85
_journal_year                    2000
_chemical_compound_source        R100141
_chemical_formula_sum            'Al4 Fe0.14 Mg1.86 Na0.09 O18.58 Si5'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.072
_cell_length_b                   9.727
_cell_length_c                   9.351
_cell_volume                     1552.821
_exptl_crystal_density_diffrn    2.570
_cod_original_formula_sum        'Si5 Al4 (Mg1.86 Fe.14) Na.09 O18.58'
_cod_database_code               9002408
_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            R100141.rod
_rod_data_source.block           3500000
_rod_database.code               1000418
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 9002408 COD http://www.crystallography.net/cod/9002408.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
167.2097 0.0000000E+00
167.6918 0.3308720
168.1739 1.961121
168.6560 3.547981
169.1381 4.088326
169.6203 4.147614
170.1024 3.766876
170.5845 3.602737
171.0666 3.815346
171.5487 4.373672
172.0309 5.220039
172.5130 6.031502
172.9951 6.765106
173.4772 7.302010
173.9593 7.450912
174.4414 6.784294
174.9236 5.953674
175.4057 5.643234
175.8878 5.659851
176.3699 5.646065
176.8520 5.205688
177.3341 4.426315
177.8163 3.492188
178.2984 2.233643
178.7805 0.9618680
179.2626 0.2049180
179.7447 2.3360999E-02
180.2268 8.8257000E-02
180.7090 0.1437450
181.1911 0.1640170
181.6732 0.1378780
182.1553 4.9598999E-02
182.6374 9.8488003E-02
183.1195 0.1230550
183.6017 3.4720998E-02
184.0838 0.3952260
184.5659 1.122704
185.0480 2.134888
185.5301 3.045326
186.0123 3.786629
186.4944 4.293854
186.9765 4.185699
187.4586 3.319458
187.9407 2.324768
188.4228 2.174065
188.9050 2.791351
189.3871 3.401375
189.8692 3.634590
190.3513 3.637741
190.8334 3.724648
191.3155 3.988113
191.7977 4.418266
192.2798 5.239090
192.7619 6.363243
193.2440 7.064758
193.7261 6.763489
194.2082 5.485764
194.6904 4.503708
195.1725 4.154526
195.6546 4.100998
196.1367 3.633263
196.6188 2.701714
197.1009 1.991455
197.5831 2.023964
198.0652 2.794975
198.5473 3.245071
199.0294 3.254028
199.5115 3.003479
199.9937 2.826851
200.4758 2.719963
200.9579 2.704201
201.4400 2.846161
201.9221 3.165894
202.4042 3.335838
202.8864 3.300774
203.3685 3.142067
203.8506 3.024612
204.3327 2.932808
204.8148 2.940117
205.2969 3.116669
205.7791 3.489494
206.2612 3.815331
206.7433 4.035179
207.2254 4.233337
207.7075 4.736679
208.1896 5.747177
208.6718 6.481071
209.1539 6.449677
209.6360 5.513336
210.1181 4.513748
210.6002 3.434990
211.0823 2.354782
211.5645 1.497269
212.0466 0.8941420
212.5287 0.4377980
213.0108 0.1093900
213.4929 3.2425001E-02
213.9750 0.2882540
214.4572 0.7297740
214.9393 1.271667
215.4214 1.678955
215.9035 1.944466
216.3856 2.093491
216.8678 2.125999
217.3499 2.016190
217.8320 1.880959
218.3141 1.726616
218.7962 1.555237
219.2783 1.383904
219.7605 1.257835
220.2426 1.061760
220.7247 0.7448810
221.2068 0.3182910
221.6889 0.2776410
222.1710 1.167969
222.6532 2.200737
223.1353 2.810448
223.6174 2.719994
224.0995 2.687759
224.5816 3.148491
225.0637 4.441795
225.5459 5.444771
226.0280 5.953842
226.5101 6.189926
226.9922 6.821594
227.4743 8.010979
227.9564 9.346016
228.4386 10.67019
228.9207 11.99759
229.4028 13.19484
229.8849 14.12405
230.3670 14.95510
230.8492 16.23319
231.3313 18.16922
231.8134 20.21074
232.2955 22.04058
232.7776 23.13637
233.2597 25.19138
233.7419 28.44867
234.2240 32.61603
234.7061 36.81927
235.1882 40.82791
235.6703 45.20599
236.1524 50.27203
236.6346 56.24782
237.1167 62.44983
237.5988 69.32011
238.0809 76.27761
238.5630 82.17253
239.0451 87.30849
239.5273 90.85256
240.0094 92.44096
240.4915 91.85887
240.9736 89.75385
241.4557 85.69221
241.9378 80.30396
242.4200 74.84277
242.9021 69.05045
243.3842 63.48044
243.8663 58.19716
244.3484 52.85165
244.8306 48.90170
245.3127 46.93226
245.7948 46.07826
246.2769 44.67281
246.7590 42.02971
247.2411 40.03239
247.7233 39.49608
248.2054 40.92908
248.6875 41.86214
249.1696 41.82011
249.6517 41.58549
250.1338 42.47503
250.6160 44.92696
251.0981 47.73167
251.5802 50.52405
252.0623 53.30708
252.5444 56.07422
253.0265 58.40257
253.5087 61.04403
253.9908 65.10497
254.4729 71.17046
254.9550 77.46738
255.4371 83.29448
255.9192 88.34245
256.4014 95.20815
256.8835 104.7363
257.3656 115.2466
257.8477 125.1282
258.3298 134.6279
258.8120 143.0484
259.2941 150.6798
259.7762 157.6834
260.2583 161.5756
260.7404 162.8684
261.2225 160.4590
261.7047 152.6637
262.1868 137.8647
262.6689 121.6579
263.1510 104.2471
263.6331 85.87690
264.1152 70.20724
264.5974 57.63792
265.0795 47.32365
265.5616 39.00291
266.0437 32.94585
266.5258 27.54640
267.0079 22.44822
267.4901 17.69608
267.9722 14.12208
268.4543 11.82883
268.9364 10.43874
269.4185 9.902901
269.9006 10.55566
270.3828 10.53596
270.8649 9.303421
271.3470 7.212875
271.8291 5.938614
272.3112 5.665077
272.7933 5.636490
273.2755 5.209557
273.7576 4.251793
274.2397 3.907516
274.7218 4.493263
275.2039 5.690323
275.6860 6.489861
276.1682 6.822067
276.6503 7.060249
277.1324 7.398048
277.6145 7.824852
278.0966 8.443352
278.5787 9.317947
279.0609 10.34783
279.5430 11.28471
280.0251 12.07322
280.5072 12.91809
280.9893 13.97134
281.4715 15.22640
281.9536 16.32885
282.4357 17.14481
282.9178 18.03419
283.3999 19.78680
283.8820 22.45509
284.3642 25.01098
284.8463 26.78577
285.3284 27.88510
285.8105 29.42636
286.2926 31.40926
286.7747 33.86513
287.2569 36.87783
287.7390 40.43859
288.2211 44.37654
288.7032 48.69297
289.1853 53.33867
289.6674 58.19507
290.1496 63.29973
290.6317 68.51809
291.1138 73.75713
291.5959 79.02605
292.0780 84.21437
292.5602 89.54556
293.0423 94.72771
293.5244 99.33717
294.0065 103.3861
294.4886 106.0107
294.9707 106.1450
295.4529 104.1487
295.9350 101.3316
296.4171 98.00863
296.8992 94.04596
297.3813 89.03480
297.8634 83.06430
298.3456 76.82887
298.8277 70.78231
299.3098 64.91779
299.7919 59.18824
300.2740 53.47711
300.7561 48.16788
301.2383 44.10645
301.7204 41.07143
302.2025 38.33720
302.6846 35.28920
303.1667 32.27027
303.6488 29.77736
304.1310 27.98656
304.6131 26.49084
305.0952 25.04074
305.5773 23.60313
306.0594 22.09552
306.5415 20.24152
307.0237 18.39976
307.5058 17.08501
307.9879 16.45891
308.4700 15.61855
308.9521 13.44977
309.4343 10.63133
309.9164 8.310760
310.3985 7.017365
310.8806 6.365807
311.3627 6.384720
311.8448 7.082687
312.3270 7.334122
312.8091 5.695877
313.2912 3.476639
313.7733 2.222549
314.2554 3.540611
314.7375 5.046890
315.2197 5.463623
315.7018 4.891479
316.1839 4.230774
316.6660 3.821678
317.1481 3.529022
317.6302 3.230980
318.1124 2.592850
318.5945 2.318542
319.0766 2.888733
319.5587 4.070351
320.0408 5.060173
320.5229 5.298988
321.0051 5.492111
321.4872 6.055130
321.9693 7.251343
322.4514 8.430954
322.9335 9.231148
323.4156 9.944122
323.8978 11.13329
324.3799 13.71993
324.8620 16.08227
325.3441 17.66685
325.8262 18.33072
326.3083 18.49703
326.7905 18.29709
327.2726 17.59223
327.7547 16.20047
328.2368 13.17969
328.7189 10.47540
329.2010 8.496674
329.6832 7.318336
330.1653 6.238663
330.6474 5.367188
331.1295 4.601036
331.6116 3.762314
332.0938 2.437714
332.5759 1.481491
333.0580 1.147232
333.5401 1.372566
334.0222 1.426170
334.5043 1.107719
334.9865 0.9128340
335.4686 1.272026
335.9507 2.709007
336.4328 3.201424
336.9149 2.091873
337.3970 0.1221540
337.8792 0.2547530
338.3613 1.703300
338.8434 3.410591
339.3255 3.381119
339.8076 1.210045
340.2898 8.8600002E-02
340.7719 0.2918170
341.2540 1.091881
341.7361 1.347961
342.2182 0.9772800
342.7003 0.6246570
343.1825 0.5216750
343.6646 0.6717610
344.1467 0.9920730
344.6288 1.485458
345.1109 2.092712
345.5930 2.849152
346.0752 3.724449
346.5573 4.456268
347.0394 4.874641
347.5215 5.203270
348.0036 5.920982
348.4857 7.025261
348.9679 8.450806
349.4500 10.58919
349.9321 13.05224
350.4142 14.60245
350.8963 14.85043
351.3784 14.67606
351.8606 15.26134
352.3427 16.41528
352.8248 17.44702
353.3069 17.75826
353.7890 17.78342
354.2711 18.22491
354.7533 19.19586
355.2354 20.02872
355.7175 19.92352
356.1996 19.30593
356.6817 18.91835
357.1638 19.22400
357.6460 19.76705
358.1281 20.14901
358.6102 20.39127
359.0923 20.85072
359.5744 21.78137
360.0565 23.00121
360.5387 24.34605
361.0208 25.90826
361.5029 27.42036
361.9850 28.65442
362.4671 29.71827
362.9492 30.92928
363.4314 32.15913
363.9135 33.73879
364.3956 35.95940
364.8777 39.26302
365.3598 42.26102
365.8419 44.97635
366.3241 47.14845
366.8062 48.35968
367.2883 48.44193
367.7704 47.66542
368.2526 45.99464
368.7347 43.32655
369.2168 40.31481
369.6989 36.81438
370.1810 33.06655
370.6631 29.18594
371.1453 24.61092
371.6274 20.74281
372.1095 17.88727
372.5916 15.90054
373.0737 13.89378
373.5558 11.66231
374.0380 9.687012
374.5201 8.246292
375.0022 7.492928
375.4843 6.816650
375.9664 6.200523
376.4485 5.651070
376.9307 5.199356
377.4128 4.889923
377.8949 4.503899
378.3770 3.919350
378.8591 3.152580
379.3412 2.421471
379.8234 1.685219
380.3055 1.150673
380.7876 1.205788
381.2697 1.810608
381.7518 2.259254
382.2339 2.392365
382.7161 2.234749
383.1982 1.669525
383.6803 0.7206880
384.1624 6.9770999E-02
384.6445 0.1854100
385.1266 0.1688770
385.6088 0.5325930
386.0909 0.8823850
386.5730 1.084579
387.0551 0.9791720
387.5372 0.5972520
388.0193 1.9226000E-02
388.5015 1.166008
388.9836 2.280998
389.4657 2.422523
389.9478 1.515755
390.4299 0.5828700
390.9120 0.2760470
391.3942 0.3605420
391.8763 0.5540160
392.3584 0.8221510
392.8405 1.114319
393.3226 1.573227
393.8047 2.097076
394.2869 2.220169
394.7690 1.140594
395.2511 2.6054000E-02
395.7332 0.3260120
396.2154 0.6818010
396.6975 1.447853
397.1796 1.487350
397.6617 1.102264
398.1438 0.8139800
398.6259 0.8915860
399.1081 0.8774340
399.5902 0.5767140
400.0723 8.3182998E-02
400.5544 0.5196990
401.0365 0.5326610
401.5186 0.4695970
402.0008 0.6361690
402.4829 1.262802
402.9650 1.671280
403.4471 1.703812
403.9292 1.462029
404.4113 1.378784
404.8935 1.499031
405.3756 1.671066
405.8577 1.792877
406.3398 1.835930
406.8219 2.080017
407.3040 2.612679
407.7862 3.189392
408.2683 3.450500
408.7504 3.390594
409.2325 3.217644
409.7146 2.793114
410.1967 2.358986
410.6789 2.923576
411.1610 4.526039
411.6431 6.137978
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413.5716 7.949669
414.0537 9.479660
414.5358 10.22358
415.0179 10.37971
415.5000 10.62306
415.9821 11.16513
416.4643 12.05672
416.9464 13.55193
417.4285 15.70975
417.9106 17.66218
418.3927 18.38173
418.8748 18.73409
419.3570 19.73286
419.8391 22.30664
420.3212 25.03265
420.8033 27.33855
421.2854 29.29867
421.7675 31.31769
422.2497 33.16152
422.7318 35.36696
423.2139 38.21298
423.6960 41.82373
424.1781 45.85889
424.6602 50.85145
425.1424 56.08981
425.6245 60.46928
426.1066 63.34854
426.5887 66.12181
427.0709 69.19878
427.5530 72.57845
428.0351 75.25560
428.5172 77.74048
428.9993 78.85326
429.4814 77.56755
429.9636 73.39843
430.4457 68.60278
430.9278 63.15198
431.4099 57.38104
431.8920 52.01811
432.3741 47.03790
432.8563 42.29636
433.3384 37.71913
433.8205 33.29720
434.3026 28.97066
434.7847 24.65005
435.2668 20.94801
435.7490 18.80817
436.2311 17.86375
436.7132 16.87411
437.1953 15.43559
437.6774 13.90855
438.1595 12.69141
438.6417 11.77409
439.1238 11.11436
439.6059 10.90222
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441.0522 9.941956
441.5344 9.336060
442.0165 8.794777
442.4986 8.347374
442.9807 8.052574
443.4628 8.040924
443.9449 8.032562
444.4271 7.944786
444.9092 7.775551
445.3913 7.522156
445.8734 7.002586
446.3555 6.465355
446.8376 6.062592
447.3198 5.850807
447.8019 5.862091
448.2840 6.336540
448.7661 6.919022
449.2482 7.106186
449.7303 6.511543
450.2125 6.219177
450.6946 6.569778
451.1767 7.461632
451.6588 7.895233
452.1409 7.756271
452.6230 7.565117
453.1052 7.640755
453.5873 7.943382
454.0694 8.145081
454.5515 8.256523
455.0337 8.357918
455.5158 8.581276
455.9979 8.903755
456.4800 9.021255
456.9621 8.734634
457.4442 8.214943
457.9264 7.896515
458.4085 7.744942
458.8906 7.473755
459.3727 6.559486
459.8548 5.467102
460.3369 5.077530
460.8191 5.908218
461.3012 6.690460
461.7833 6.069824
462.2654 4.596565
462.7475 3.504135
463.2296 3.566368
463.7118 3.933945
464.1939 4.178413
464.6760 4.273766
465.1581 4.333931
465.6402 4.216148
466.1223 4.176208
466.6045 4.396233
467.0866 5.120514
467.5687 5.828972
468.0508 6.596237
468.5329 7.322227
469.0150 7.769699
469.4972 7.766640
469.9793 7.738564
470.4614 7.830185
470.9435 8.053085
471.4256 8.164284
471.9077 8.136452
472.3899 8.054749
472.8720 7.941025
473.3541 7.775803
473.8362 7.873489
474.3183 8.379868
474.8004 9.009361
475.2826 9.055565
475.7647 8.571877
476.2468 8.321014
476.7289 8.926155
477.2110 9.994514
477.6931 10.66509
478.1753 10.93370
478.6574 10.98513
479.1395 10.86498
479.6216 10.65437
480.1037 10.45237
480.5858 10.21491
481.0680 10.12418
481.5501 10.42670
482.0322 10.96385
482.5143 11.40145
482.9964 11.76338
483.4786 11.86526
483.9607 11.45829
484.4428 10.48208
484.9249 9.820099
485.4070 9.712692
485.8892 9.939331
486.3713 10.36534
486.8534 11.24061
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