#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:25:53 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1083 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000525.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_1000525
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        R040082
_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            R040082.rod
_rod_data_source.block           3500000
_rod_database.code               1000525
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
115.8298 0.0000000E+00
116.3119 9.813263
116.7940 25.31027
117.2761 44.85864
117.7582 65.11563
118.2403 83.34631
118.7225 98.21707
119.2046 109.2470
119.6867 112.9074
120.1688 106.7952
120.6509 97.75946
121.1330 85.96092
121.6152 72.28506
122.0973 59.35243
122.5794 49.53738
123.0615 43.27179
123.5436 39.07352
124.0257 37.75882
124.5079 38.86212
124.9900 41.33107
125.4721 44.86346
125.9542 47.83128
126.4363 48.43195
126.9184 46.79942
127.4006 44.30101
127.8827 40.46944
128.3648 34.96748
128.8469 29.12708
129.3290 23.71162
129.8111 18.96680
130.2932 14.85185
130.7754 11.33435
131.2575 8.219620
131.7396 5.270798
132.2217 2.421875
132.7038 0.2858580
133.1859 0.5685270
133.6681 1.091705
134.1502 1.456604
134.6323 1.667328
135.1144 1.818161
135.5965 2.058319
136.0786 2.537567
136.5608 2.788940
137.0429 2.650436
137.5250 2.431198
138.0071 2.405975
138.4892 2.645798
138.9713 2.970291
139.4535 2.895447
139.9356 2.176239
140.4177 1.394882
140.8998 0.5121150
141.3819 0.3244320
141.8640 0.8889310
142.3462 1.088425
142.8283 1.266190
143.3104 1.959091
143.7925 3.431229
144.2746 4.841766
144.7567 6.131119
145.2388 7.391251
145.7210 8.261810
146.2031 8.840866
146.6852 9.345520
147.1673 10.12000
147.6494 11.15996
148.1315 12.39656
148.6137 13.83026
149.0958 15.49692
149.5779 17.20898
150.0600 18.56589
150.5421 20.00049
151.0242 22.06522
151.5064 25.00447
151.9885 28.45236
152.4706 31.54945
152.9527 33.88701
153.4348 36.67351
153.9169 40.55212
154.3991 44.88495
154.8812 49.10983
155.3633 52.99286
155.8454 56.40837
156.3275 58.53550
156.8096 59.21964
157.2918 58.47782
157.7739 55.63329
158.2560 51.39108
158.7381 46.89339
159.2202 42.95142
159.7023 39.58080
160.1845 36.21069
160.6666 32.90088
161.1487 29.53287
161.6308 25.97089
162.1129 22.30695
162.5950 18.75045
163.0772 15.46914
163.5593 12.46475
164.0414 9.902466
164.5235 7.748070
165.0056 6.014023
165.4877 4.823135
165.9698 4.158730
166.4520 3.724792
166.9341 3.313126
167.4162 2.915306
167.8983 2.307411
168.3804 1.214851
168.8625 3.4870000E-03
169.3447 0.8280330
169.8268 1.152908
170.3089 1.337135
170.7910 1.859016
171.2731 2.601128
171.7552 3.051147
172.2374 2.705841
172.7195 1.895653
173.2016 1.648697
173.6837 1.859856
174.1658 1.955902
174.6479 1.031654
175.1301 0.6983720
175.6122 2.461189
176.0943 3.841293
176.5764 4.835724
177.0585 5.347198
177.5406 4.718788
178.0228 4.191742
178.5049 4.422348
178.9870 5.336678
179.4691 6.458099
179.9512 7.373253
180.4333 8.069275
180.9155 8.608452
181.3976 9.064133
181.8797 9.309196
182.3618 9.091187
182.8439 8.493187
183.3260 7.939537
183.8082 8.035156
184.2903 9.298607
184.7724 9.840263
185.2545 8.870743
185.7366 7.899551
186.2187 8.127174
186.7009 9.648285
187.1830 11.47608
187.6651 12.16152
188.1472 10.86954
188.6293 10.12608
189.1114 10.49964
189.5936 11.08410
190.0757 10.93164
190.5578 9.789093
191.0399 8.400833
191.5220 8.035645
192.0041 9.259552
192.4863 9.980835
192.9684 9.727501
193.4505 8.932838
193.9326 8.095200
194.4147 7.361229
194.8968 6.718147
195.3790 6.073975
195.8611 5.365784
196.3432 4.871078
196.8253 4.796501
197.3074 5.013435
197.7895 5.197426
198.2717 5.178513
198.7538 5.252686
199.2359 5.873772
199.7180 7.025223
200.2001 8.052429
200.6822 8.610352
201.1644 8.758430
201.6465 8.691376
202.1286 8.138977
202.6107 7.753197
203.0928 8.308853
203.5749 9.786331
204.0571 11.08031
204.5392 11.19258
205.0213 10.14079
205.5034 9.237495
205.9855 9.053093
206.4676 8.771225
206.9497 7.778297
207.4319 6.094421
207.9140 4.312645
208.3961 2.996361
208.8782 2.181717
209.3603 1.632767
209.8424 1.585243
210.3246 1.599449
210.8067 1.484848
211.2888 1.216530
211.7709 0.8743590
212.2530 0.5251010
212.7351 0.1277770
213.2173 0.1322100
213.6994 0.2268220
214.1815 0.2192230
214.6636 0.1129990
215.1457 7.6309003E-02
215.6278 0.3049550
216.1100 0.5205540
216.5921 0.7292180
217.0742 0.9057690
217.5563 0.9615330
218.0384 1.055809
218.5205 1.340233
219.0027 1.812752
219.4848 2.309830
219.9669 2.598076
220.4490 2.520172
220.9311 2.577347
221.4132 2.649811
221.8954 2.918533
222.3775 3.616211
222.8596 4.747269
223.3417 6.015045
223.8238 7.060280
224.3059 7.846550
224.7881 8.418358
225.2702 8.427872
225.7523 8.430603
226.2344 9.027878
226.7165 10.30334
227.1986 11.63845
227.6807 12.23949
228.1629 11.86895
228.6450 12.02178
229.1271 13.05206
229.6092 14.50767
230.0913 15.97682
230.5734 17.40104
231.0556 18.86635
231.5377 20.40047
232.0198 22.00298
232.5019 24.04847
232.9840 26.99446
233.4661 30.20069
233.9483 32.79395
234.4304 34.55912
234.9125 36.33247
235.3946 39.20039
235.8767 42.88303
236.3588 46.20019
236.8410 48.94748
237.3231 51.12657
237.8052 52.74411
238.2873 53.79284
238.7694 54.31773
239.2515 54.27305
239.7337 53.74950
240.2158 52.79974
240.6979 51.12745
241.1800 49.10884
241.6621 47.45676
242.1442 46.24207
242.6264 45.23158
243.1085 44.25172
243.5906 43.35582
244.0727 42.65828
244.5548 42.14265
245.0369 41.89177
245.5191 42.14116
246.0012 43.05566
246.4833 44.06601
246.9654 44.64258
247.4475 45.19366
247.9296 46.24844
248.4117 47.95779
248.8939 50.36631
249.3760 53.76534
249.8581 58.62549
250.3402 63.51230
250.8223 67.59538
251.3044 71.51215
251.7866 75.90355
252.2687 81.00430
252.7508 86.82834
253.2329 93.52193
253.7150 101.2493
254.1971 109.5233
254.6793 117.9080
255.1614 126.8453
255.6435 137.1737
256.1256 149.2381
256.6077 161.7525
257.0898 172.4547
257.5720 182.4805
258.0541 187.9026
258.5362 188.9910
259.0183 185.8383
259.5004 177.8754
259.9825 164.9862
260.4647 148.6533
260.9468 131.1836
261.4289 110.7341
261.9110 93.08790
262.3931 78.65504
262.8752 66.44272
263.3574 55.90253
263.8395 46.76956
264.3216 38.99219
264.8037 32.52206
265.2858 27.95390
265.7679 23.60070
266.2501 19.02201
266.7322 14.89567
267.2143 11.68143
267.6964 9.473503
268.1785 8.106941
268.6606 7.481499
269.1428 8.098259
269.6249 8.142883
270.1070 7.325180
270.5891 6.283028
271.0712 5.326851
271.5533 4.526039
272.0355 3.828636
272.5176 3.154221
272.9997 2.430801
273.4818 2.101990
273.9639 2.285400
274.4460 2.670212
274.9282 3.147888
275.4103 3.685120
275.8924 4.251228
276.3745 4.810555
276.8566 5.338173
277.3387 6.099258
277.8208 7.393127
278.3029 8.595764
278.7851 9.395470
279.2672 9.874901
279.7493 10.26072
280.2314 10.67265
280.7135 11.15862
281.1956 12.07584
281.6778 13.71545
282.1599 15.38737
282.6420 16.95113
283.1241 18.37914
283.6062 19.56226
284.0883 20.39317
284.5705 20.97596
285.0526 21.89960
285.5347 22.77051
286.0168 24.36043
286.4989 27.48317
286.9810 31.36238
287.4632 34.59875
287.9453 36.48148
288.4274 37.56387
288.9095 39.47307
289.3916 42.92978
289.8737 46.06874
290.3559 48.44357
290.8380 50.37210
291.3201 52.37361
291.8022 54.65412
292.2843 56.76112
292.7664 57.83212
293.2486 57.50532
293.7307 56.99006
294.2128 56.63570
294.6949 56.03864
295.1770 54.68895
295.6591 52.46474
296.1413 49.76590
296.6234 47.01341
297.1055 44.13328
297.5876 41.56838
298.0697 39.54655
298.5518 37.71360
299.0340 35.74481
299.5161 33.61780
299.9982 31.50843
300.4803 29.52311
300.9624 27.68153
301.4445 26.31484
301.9267 25.84229
302.4088 25.50306
302.8909 24.73653
303.3730 23.58537
303.8551 22.51119
304.3372 21.88862
304.8194 21.63800
305.3015 21.01915
305.7836 19.91336
306.2657 18.59953
306.7478 17.24416
307.2299 15.79446
307.7121 13.99348
308.1942 11.57738
308.6763 8.863472
309.1584 7.018738
309.6405 6.481674
310.1227 5.950974
310.6048 5.087051
311.0869 3.939362
311.5690 2.445839
312.0511 0.4717180
312.5332 1.453178
313.0154 2.089912
313.4975 1.007904
313.9796 0.2206120
314.4617 0.2430270
314.9438 0.7288820
315.4259 1.361641
315.9081 2.082146
316.3902 2.627090
316.8723 2.651115
317.3544 2.093964
317.8365 1.307114
318.3186 3.4256000E-02
318.8007 1.284607
319.2828 2.232994
319.7650 2.779007
320.2471 3.138588
320.7292 3.370369
321.2113 3.511787
321.6934 4.315308
322.1755 6.298279
322.6577 8.474403
323.1398 10.37263
323.6219 11.95486
324.1040 13.26005
324.5861 14.32742
325.0682 15.11130
325.5504 15.40353
326.0325 15.01835
326.5146 14.43522
326.9967 13.83027
327.4788 13.15174
327.9609 12.24772
328.4431 11.00997
328.9252 9.587234
329.4073 8.351082
329.8894 7.411278
330.3715 6.525856
330.8536 5.572227
331.3358 4.492416
331.8179 3.304878
332.3000 2.041901
332.7821 0.9140630
333.2642 0.1779560
333.7463 0.1039730
334.2285 0.2733380
334.7106 6.7711003E-02
335.1927 0.1720580
335.6748 8.1253000E-02
336.1569 0.8659820
336.6390 1.513069
337.1212 1.265442
337.6033 3.8040001E-02
338.0854 0.5940700
338.5675 5.7190001E-02
339.0496 0.4557500
339.5317 0.3031540
340.0139 0.3546450
340.4960 0.9967800
340.9781 1.304077
341.4602 1.392670
341.9423 1.832542
342.4244 2.896049
342.9066 3.974464
343.3887 4.960495
343.8708 5.846657
344.3529 6.625572
344.8350 7.288269
345.3171 7.851875
345.7993 8.371040
346.2814 8.935387
346.7635 9.292038
347.2456 9.120972
347.7277 8.941513
348.2098 9.282364
348.6920 10.19054
349.1741 11.23859
349.6562 11.91438
350.1383 12.09245
350.6204 12.52174
351.1025 13.75291
351.5847 14.69237
352.0668 14.46176
352.5489 13.40781
353.0310 12.61034
353.5131 12.89285
353.9952 14.11884
354.4774 14.87341
354.9595 14.49010
355.4416 14.40889
355.9237 15.06321
356.4058 16.13573
356.8879 17.19724
357.3701 18.05431
357.8522 18.79962
358.3343 19.64537
358.8164 20.52304
359.2985 21.63751
359.7806 22.89249
360.2627 24.42676
360.7448 26.44743
361.2270 28.94009
361.7091 31.58452
362.1912 34.00733
362.6733 36.13262
363.1554 38.37749
363.6375 41.26178
364.1197 43.76176
364.6018 45.53337
365.0839 46.57343
365.5660 46.98613
366.0481 46.88137
366.5302 46.20944
367.0124 44.54624
367.4945 41.16714
367.9766 37.65688
368.4587 34.20592
368.9408 30.86396
369.4229 27.61640
369.9051 24.47016
370.3872 21.49888
370.8693 18.92249
371.3514 16.80522
371.8335 15.18490
372.3156 14.32750
372.7978 13.67706
373.2799 12.87526
373.7620 11.89072
374.2441 10.92366
374.7262 10.28039
375.2083 10.01241
375.6905 9.484825
376.1726 8.436287
376.6547 7.389603
377.1368 6.582954
377.6189 5.956566
378.1010 5.374779
378.5832 4.739624
379.0653 4.110260
379.5474 3.642326
380.0295 3.357468
380.5116 3.181847
380.9937 3.245209
381.4759 3.326454
381.9580 3.162178
382.4401 2.654839
382.9222 2.110329
383.4043 1.924126
383.8864 2.091133
384.3686 2.089874
384.8507 1.660355
385.3328 1.185066
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386.2970 1.336044
386.7791 1.356415
387.2613 0.4429550
387.7434 0.8575740
388.2255 1.056511
388.7076 0.2625350
389.1897 1.582565
389.6718 1.611984
390.1540 0.8831330
390.6361 0.4527740
391.1182 0.8604660
391.6003 1.281998
392.0824 0.7279890
392.5645 0.6448210
393.0467 1.496536
393.5288 1.093468
394.0109 9.0209998E-02
394.4930 0.3345570
394.9751 0.1251370
395.4572 0.1137920
395.9394 0.2826770
396.4215 0.3817520
396.9036 0.3409580
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397.8678 0.1816180
398.3499 0.3222810
398.8321 0.3064650
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399.7963 0.3301770
400.2784 0.7901460
400.7605 0.9847720
401.2426 0.9265060
401.7247 0.7131960
402.2068 0.3826450
402.6890 3.8291998E-02
403.1711 0.4264680
403.6532 0.8198010
404.1353 1.139732
404.6174 1.377899
405.0995 1.533333
405.5817 1.524727
406.0638 1.345322
406.5459 1.224106
407.0280 1.501160
407.5101 2.324356
407.9922 3.100845
408.4744 3.719521
408.9565 4.393250
409.4386 5.468956
409.9207 6.738884
410.4028 7.573174
410.8849 7.463593
411.3671 6.573242
411.8492 6.159775
412.3313 6.554153
412.8134 7.056206
413.2955 7.590263
413.7776 8.173271
414.2598 8.837677
414.7419 9.592094
415.2240 10.40598
415.7061 11.22781
416.1882 12.04496
416.6703 12.92762
417.1525 13.87381
417.6346 14.88985
418.1167 15.98119
418.5988 17.15199
419.0809 18.38952
419.5630 19.69560
420.0452 21.06441
420.5273 22.49373
421.0094 23.96826
421.4915 25.52706
421.9736 27.23231
422.4557 28.99447
422.9379 30.68586
423.4200 32.25208
423.9021 33.84840
424.3842 35.89064
424.8663 38.32757
425.3484 39.96329
425.8306 40.38980
426.3127 40.09452
426.7948 39.58152
427.2769 38.83363
427.7590 37.68153
428.2411 35.99255
428.7233 33.87777
429.2054 31.38832
429.6875 28.48199
430.1696 25.67942
430.6517 23.28577
431.1339 21.26157
431.6160 19.38232
432.0981 17.60803
432.5802 16.03907
433.0623 14.76430
433.5444 13.73386
434.0266 12.88902
434.5087 12.24212
434.9908 11.61434
435.4729 10.72785
435.9550 9.479286
436.4371 8.463478
436.9193 7.753868
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