#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:28:20 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1122 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000551.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_1000551
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 helium-neon
_raman_measurement_device.excitation_laser_wavelength 780
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 12
_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               1000551
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
108.4438 0.0000000E+00
108.9259 5.5367000E-02
109.4080 0.3642040
109.8901 1.330261
110.3722 1.924843
110.8544 1.953415
111.3365 1.853260
111.8186 1.792328
112.3007 1.799332
112.7828 1.982368
113.2649 2.369286
113.7471 2.955437
114.2292 3.816208
114.7113 4.971561
115.1934 6.418861
115.6755 8.087837
116.1576 10.03118
116.6397 12.41146
117.1219 15.36869
117.6040 18.92246
118.0861 22.99888
118.5682 27.39228
119.0503 32.29015
119.5324 38.33692
120.0146 45.44323
120.4967 52.53260
120.9788 57.78253
121.4609 60.58224
121.9430 61.97609
122.4251 61.48820
122.9073 59.84076
123.3894 57.35172
123.8715 53.94181
124.3536 50.82584
124.8357 50.61259
125.3178 53.01947
125.8000 56.17565
126.2821 60.74097
126.7642 66.28036
127.2463 71.14121
127.7284 75.78241
128.2105 78.98244
128.6927 79.03025
129.1748 75.31925
129.6569 69.25902
130.1390 61.57899
130.6211 51.94385
131.1032 42.72585
131.5854 34.53504
132.0675 27.41328
132.5496 21.72185
133.0317 17.76512
133.5138 15.06446
133.9959 12.46284
134.4781 9.872433
134.9602 7.540966
135.4423 5.389042
135.9244 3.513035
136.4065 2.072346
136.8886 1.187496
137.3708 0.8398780
137.8529 0.5936580
138.3350 0.6699600
138.8171 0.6413420
139.2992 0.2975120
139.7813 0.2325130
140.2635 0.6900180
140.7456 0.9072070
141.2277 1.114769
141.7098 1.024200
142.1919 0.1323740
142.6740 0.6351850
143.1561 0.6704560
143.6383 0.1019970
144.1204 0.4658580
144.6025 0.6241950
145.0846 0.4202800
145.5667 5.9891000E-02
146.0488 1.288803
146.5310 2.661777
147.0131 3.378437
147.4952 3.279430
147.9773 2.938427
148.4594 2.867386
148.9415 3.035419
149.4237 3.534378
149.9058 4.509510
150.3879 5.851074
150.8700 7.209408
151.3521 8.524094
151.8342 9.940441
152.3164 11.48020
152.7985 13.15062
153.2806 15.04988
153.7627 17.21021
154.2448 19.62493
154.7269 22.35978
155.2091 25.81736
155.6912 29.30617
156.1733 32.80472
156.6554 36.19581
157.1375 38.90266
157.6196 40.24372
158.1018 40.07326
158.5839 38.81554
159.0660 36.11554
159.5481 32.76682
160.0302 29.01613
160.5123 25.01416
160.9945 21.03950
161.4766 17.59018
161.9587 14.73507
162.4408 12.37563
162.9229 10.72812
163.4050 9.417849
163.8871 8.127769
164.3693 6.733986
164.8514 5.331932
165.3335 4.165409
165.8156 3.354155
166.2977 2.723881
166.7798 2.193151
167.2620 1.742744
167.7441 1.323925
168.2262 0.9117030
168.7083 0.5302870
169.1904 0.2666590
169.6725 0.1592640
170.1547 7.0130996E-02
170.6368 4.3253001E-02
171.1189 0.1786310
171.6010 0.3457970
172.0831 0.6101110
172.5652 0.8486650
173.0474 0.8248100
173.5295 0.3894750
174.0116 2.4011999E-02
174.4937 1.2680000E-02
174.9758 0.4225220
175.4579 0.7870670
175.9401 0.8540340
176.4222 0.7364350
176.9043 0.5133320
177.3864 0.1459520
177.8685 0.1995410
178.3506 0.2776070
178.8328 8.1249997E-03
179.3149 0.2448430
179.7970 0.4098930
180.2791 0.4810730
180.7612 0.4106620
181.2433 0.1622910
181.7255 0.1603660
182.2076 0.3280390
182.6897 0.2598460
183.1718 0.1709880
183.6539 2.3422001E-02
184.1360 8.6375996E-02
184.6181 2.2639999E-02
185.1003 0.2928790
185.5824 0.7612060
186.0645 1.020292
186.5466 0.8111110
187.0287 0.6989330
187.5108 0.8460640
187.9930 1.107840
188.4751 1.297363
188.9572 1.307732
189.4393 1.170607
189.9214 1.059284
190.4035 0.9973470
190.8857 0.9357450
191.3678 0.7441390
191.8499 0.5563910
192.3320 0.6657350
192.8141 1.306248
193.2962 2.350264
193.7784 2.775780
194.2605 2.119434
194.7426 1.490404
195.2247 1.314262
195.7068 1.481911
196.1889 1.648994
196.6711 1.595163
197.1532 1.367033
197.6353 1.228397
198.1174 1.113010
198.5995 1.123835
199.0816 1.430353
199.5638 1.997839
200.0459 2.499846
200.5280 2.628929
201.0101 2.499708
201.4922 2.535976
201.9743 2.814663
202.4565 3.187408
202.9386 3.560308
203.4207 3.953108
203.9028 4.347555
204.3849 4.664637
204.8670 4.961578
205.3492 5.328535
205.8313 5.800222
206.3134 6.323677
206.7955 6.887854
207.2776 7.542788
207.7597 8.012054
208.2419 8.231264
208.7240 8.170177
209.2061 7.689497
209.6882 6.647205
210.1703 5.367056
210.6524 4.417402
211.1346 3.920929
211.6167 3.462679
212.0988 2.858339
212.5809 2.247337
213.0630 1.779001
213.5451 1.528343
214.0273 1.398645
214.5094 1.153278
214.9915 0.6416800
215.4736 0.2978820
215.9557 0.2081530
216.4378 0.2912620
216.9200 0.5112670
217.4021 0.8585090
217.8842 1.249504
218.3663 1.441711
218.8484 1.298376
219.3305 1.133471
219.8127 0.8579010
220.2948 0.6302640
220.7769 0.6707820
221.2590 1.080233
221.7411 1.691755
222.2232 2.008909
222.7054 1.662830
223.1875 1.443024
223.6696 1.481094
224.1517 1.635290
224.6338 1.708609
225.1159 1.611752
225.5980 1.453287
226.0802 1.553574
226.5623 2.241133
227.0444 2.802217
227.5265 3.090384
228.0086 3.252256
228.4907 3.424837
228.9729 3.656322
229.4550 4.000950
229.9371 4.613117
230.4192 5.520704
230.9013 6.641878
231.3834 8.047649
231.8656 9.669365
232.3477 11.33028
232.8298 12.91702
233.3119 14.60797
233.7940 16.81017
234.2761 19.30990
234.7583 22.63844
235.2404 27.12258
235.7225 32.49382
236.2046 38.44979
236.6867 45.06483
237.1688 51.85063
237.6510 58.36318
238.1331 64.95425
238.6152 70.00208
239.0973 73.10848
239.5794 74.29108
240.0615 73.38203
240.5437 70.04030
241.0258 65.11848
241.5079 59.30041
241.9900 52.55525
242.4721 46.39152
242.9542 41.50188
243.4364 37.67952
243.9185 34.46008
244.4006 31.85153
244.8827 29.68485
245.3648 27.72861
245.8469 25.98437
246.3290 24.65874
246.8112 23.98889
247.2933 23.82903
247.7754 23.69019
248.2575 23.38591
248.7396 23.34397
249.2217 23.86710
249.7039 24.87664
250.1860 26.16046
250.6681 27.52512
251.1502 29.05750
251.6323 31.03725
252.1144 33.22176
252.5966 36.34561
253.0787 40.74459
253.5608 46.23248
254.0429 52.45972
254.5250 58.79396
255.0071 65.66497
255.4893 74.86523
255.9714 86.82883
256.4535 100.6496
256.9356 116.4118
257.4177 133.3129
257.8998 150.5201
258.3820 168.6087
258.8641 186.0936
259.3462 197.8692
259.8283 204.3716
260.3104 203.3790
260.7925 193.6717
261.2747 177.7183
261.7568 158.0737
262.2389 135.1319
262.7210 110.7046
263.2031 89.66463
263.6852 72.34395
264.1674 58.36264
264.6495 48.00171
265.1316 40.14133
265.6137 33.88518
266.0958 28.89112
266.5779 24.90144
267.0601 21.35346
267.5422 18.27135
268.0243 15.68761
268.5064 13.63605
268.9885 11.96358
269.4706 10.57029
269.9528 9.415901
270.4349 8.487913
270.9170 7.809734
271.3991 7.628963
271.8812 7.215590
272.3633 6.315973
272.8455 5.333532
273.3276 4.579666
273.8097 4.127304
274.2918 3.842924
274.7739 3.528013
275.2560 3.148977
275.7382 2.813818
276.2202 2.446796
276.7024 2.164185
277.1845 2.098495
277.6666 2.233097
278.1487 2.391933
278.6308 2.348766
279.1129 2.013344
279.5951 1.796528
280.0772 1.791159
280.5593 1.796730
281.0414 1.671730
281.5235 1.442732
282.0056 1.259602
282.4878 1.279501
282.9699 1.544085
283.4520 1.708235
283.9341 1.672943
284.4162 1.643288
284.8983 1.718723
285.3805 1.880289
285.8626 2.050377
286.3447 2.162516
286.8268 2.218988
287.3089 2.387417
287.7910 2.694357
288.2732 3.072569
288.7553 3.558199
289.2374 4.098373
289.7195 4.591908
290.2016 4.973810
290.6837 5.268757
291.1659 5.624908
291.6480 6.053864
292.1301 6.526932
292.6122 7.029245
293.0943 7.575735
293.5764 8.229731
294.0586 9.030130
294.5407 9.867119
295.0228 10.44514
295.5049 10.80391
295.9870 10.82143
296.4691 10.20008
296.9513 9.360401
297.4334 8.718689
297.9155 8.416279
298.3976 8.372599
298.8797 8.468931
299.3618 8.834194
299.8440 9.102129
300.3261 9.175638
300.8082 9.212908
301.2903 9.373459
301.7724 9.673435
302.2545 9.959072
302.7367 10.00637
303.2188 9.645306
303.7009 9.782780
304.1830 10.89471
304.6651 12.07008
305.1472 12.85472
305.6294 13.17980
306.1115 13.06868
306.5936 12.48717
307.0757 11.39810
307.5578 10.48128
308.0399 10.13111
308.5221 9.536980
309.0042 8.154501
309.4863 6.215233
309.9684 4.351601
310.4505 2.967987
310.9326 2.007395
311.4148 1.134701
311.8969 0.2450790
312.3790 0.4595680
312.8611 0.8557150
313.3432 1.047134
313.8253 1.242720
314.3075 1.549015
314.7896 1.824083
315.2717 1.682167
315.7538 0.6050150
316.2359 0.1414490
316.7180 0.2646680
317.2001 9.4315998E-02
317.6823 6.7368001E-02
318.1644 0.1250400
318.6465 5.2531999E-02
319.1286 0.2071530
319.6107 0.7884410
320.0928 1.232695
320.5750 1.229851
321.0571 1.306690
321.5392 1.948027
322.0213 3.161152
322.5034 4.529121
322.9855 5.607876
323.4677 6.329407
323.9498 7.354771
324.4319 9.102259
324.9140 10.72213
325.3961 12.00788
325.8782 12.83493
326.3604 12.94512
326.8425 12.08330
327.3246 10.34418
327.8067 8.771679
328.2888 7.312542
328.7709 6.049332
329.2531 5.064306
329.7352 4.284552
330.2173 3.606024
330.6994 2.982019
331.1815 2.410248
331.6636 1.880896
332.1458 1.155628
332.6279 0.7887020
333.1100 1.154928
333.5921 1.714325
334.0742 1.883919
334.5563 1.507742
335.0385 0.9405440
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336.0027 1.180904
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336.9669 0.9996990
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339.3775 0.7022990
339.8596 0.4056110
340.3417 0.1688140
340.8239 8.0899999E-02
341.3060 0.1546100
341.7881 6.4420998E-02
342.2702 0.4609320
342.7523 0.8519950
343.2344 1.137743
343.7166 1.342392
344.1987 1.520197
344.6808 1.623085
345.1629 1.755672
345.6450 1.900337
346.1271 2.090052
346.6093 2.372700
347.0914 2.770340
347.5735 3.255577
348.0556 3.721197
348.5377 3.986237
349.0198 4.522144
349.5020 5.599098
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351.4304 8.408060
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353.8410 10.53473
354.3231 11.17607
354.8052 11.88311
355.2874 12.56458
355.7695 13.15216
356.2516 13.65757
356.7337 14.16665
357.2158 14.52670
357.6979 15.11839
358.1800 16.12662
358.6621 17.33590
359.1443 18.44957
359.6264 19.36091
360.1085 20.30640
360.5906 21.67344
361.0727 23.40227
361.5548 25.75138
362.0370 29.09205
362.5191 32.74403
363.0012 36.20139
363.4833 39.49702
363.9654 43.06692
364.4475 47.73559
364.9297 53.65138
365.4118 58.18395
365.8939 61.10332
366.3760 62.69939
366.8581 63.15011
367.3402 62.41865
367.8224 60.33454
368.3045 56.58296
368.7866 51.60984
369.2687 46.61325
369.7508 41.45362
370.2329 36.60963
370.7151 32.05256
371.1972 27.94216
371.6793 24.43857
372.1614 21.63413
372.6435 19.28747
373.1256 17.17972
373.6078 15.35762
374.0899 13.79665
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375.0541 11.54804
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376.0183 9.476246
376.5005 8.611984
376.9826 8.124578
377.4647 7.899052
377.9468 7.486582
378.4289 6.778643
378.9110 6.065611
379.3932 5.527369
379.8753 5.121597
380.3574 4.789663
380.8395 4.553171
381.3216 4.345217
381.8037 4.083710
382.2859 3.767157
382.7680 3.443239
383.2501 3.113934
383.7322 2.803921
384.2143 2.539907
384.6964 2.325136
385.1786 2.152739
385.6607 2.034262
386.1428 1.957720
386.6249 1.912273
387.1070 1.923170
387.5891 1.886574
388.0713 1.593752
388.5534 1.073614
389.0355 0.7279510
389.5176 0.8311350
389.9997 1.025341
390.4818 0.8876840
390.9640 0.4186670
391.4461 2.0592000E-02
391.9282 3.8920001E-03
392.4103 0.2701260
392.8924 0.4009770
393.3745 0.1946730
393.8567 7.1235001E-02
394.3388 0.3420640
394.8209 0.7952580
395.3030 0.9836420
395.7851 0.7229180
396.2672 0.2487970
396.7494 1.5507000E-02
397.2315 8.0022000E-02
397.7136 2.7172999E-02
398.1957 0.4346590
398.6778 0.8973270
399.1599 0.9864790
399.6420 0.6824980
400.1241 0.2428050
400.6063 0.1286040
401.0884 0.4342970
401.5705 0.6238240
402.0526 0.6586110
402.5347 0.6394330
403.0168 0.6000390
403.4990 0.5262960
403.9811 0.3567360
404.4632 5.9406999E-02
404.9453 0.2647090
405.4274 0.3599380
405.9095 6.5132000E-02
406.3917 0.1998410
406.8738 0.4973140
407.3559 0.7100230
407.8380 0.7637200
408.3201 0.6454620
408.8022 0.3595760
409.2844 0.1978540
409.7665 1.077562
410.2486 1.342260
410.7307 0.2459360
411.2128 0.6774820
411.6949 0.8944880
412.1771 0.6579600
412.6592 0.3883780
413.1413 0.2813780
413.6234 0.2915900
414.1055 0.3081460
414.5876 0.2894040
415.0698 0.4072430
415.5519 0.9638830
416.0340 1.495106
416.5161 1.596924
416.9982 1.249300
417.4803 0.8906390
417.9625 0.8969770
418.4446 1.225475
418.9267 1.594046
419.4088 2.011112
419.8909 2.415741
420.3730 2.841064
420.8552 3.223135
421.3373 3.380919
421.8194 3.006326
422.3015 2.637418
422.7836 3.027173
423.2657 4.165483
423.7479 5.272097
424.2300 6.001053
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