#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:25:50 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1082 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000524.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_1000524
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        R040081
_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            R040081.rod
_rod_data_source.block           3500000
_rod_database.code               1000524
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
94.13452 0.0000000E+00
94.61664 1.151886
95.09875 1.615997
95.58087 1.664291
96.06299 1.485748
96.54510 0.7508090
97.02721 0.4419710
97.50933 0.6226650
97.99145 1.184799
98.47356 2.101822
98.95568 2.734238
99.43780 1.940277
99.91991 1.456924
100.4020 1.965912
100.8841 2.384186
101.3663 2.169876
101.8484 1.381699
102.3305 0.4956970
102.8126 6.9656000E-02
103.2947 0.2807160
103.7768 1.8600000E-02
104.2590 1.292572
104.7411 2.847343
105.2232 3.949501
105.7053 4.398720
106.1874 4.572807
106.6695 4.879852
107.1517 5.291222
107.6338 5.782158
108.1159 6.368332
108.5980 7.032951
109.0801 7.689125
109.5622 8.240334
110.0444 8.851944
110.5265 9.676064
111.0086 10.73015
111.4907 11.84898
111.9728 12.89854
112.4549 13.89639
112.9371 15.02287
113.4192 16.74187
113.9013 18.49151
114.3834 20.03430
114.8655 21.42669
115.3476 22.67406
115.8298 24.18262
116.3119 25.88354
116.7940 27.97612
117.2761 30.81792
117.7582 34.04440
118.2403 37.24216
118.7225 40.19208
119.2046 42.86002
119.6867 44.89899
120.1688 47.00977
120.6509 47.99915
121.1330 47.28389
121.6152 45.01196
122.0973 41.68485
122.5794 37.41264
123.0615 32.24140
123.5436 27.78197
124.0257 24.23837
124.5079 21.27370
124.9900 18.64111
125.4721 16.30878
125.9542 14.32190
126.4363 12.86655
126.9184 11.80742
127.4006 10.93752
127.8827 10.45341
128.3648 10.13705
128.8469 9.280663
129.3290 7.503532
129.8111 5.654411
130.2932 4.271370
130.7754 3.261826
131.2575 2.277901
131.7396 1.001556
132.2217 0.5754320
132.7038 1.510605
133.1859 1.362755
133.6681 0.8188480
134.1502 0.4368820
134.6323 0.2112960
135.1144 8.3511002E-02
135.5965 0.7205960
136.0786 2.219612
136.5608 3.248474
137.0429 3.184418
137.5250 2.748482
138.0071 2.679260
138.4892 3.167419
138.9713 3.971657
139.4535 4.613434
139.9356 5.142769
140.4177 5.505814
140.8998 5.583549
141.3819 5.510033
141.8640 5.410484
142.3462 5.323250
142.8283 5.296143
143.3104 5.461754
143.7925 5.911674
144.2746 6.393814
144.7567 6.748550
145.2388 7.011490
145.7210 7.444183
146.2031 8.259995
146.6852 9.229469
147.1673 9.985710
147.6494 10.42097
148.1315 10.82913
148.6137 11.58744
149.0958 12.83258
149.5779 13.81574
150.0600 13.55170
150.5421 13.03680
151.0242 13.36004
151.5064 15.14426
151.9885 17.79303
152.4706 19.49817
152.9527 19.70232
153.4348 20.03815
153.9169 21.24087
154.3991 22.79822
154.8812 24.07715
155.3633 24.68977
155.8454 24.74422
156.3275 24.91573
156.8096 25.76382
157.2918 26.09888
157.7739 25.63972
158.2560 24.51155
158.7381 22.90162
159.2202 20.89510
159.7023 18.47079
160.1845 16.29383
160.6666 14.39517
161.1487 12.65961
161.6308 11.10633
162.1129 9.724869
162.5950 8.501907
163.0772 7.464874
163.5593 6.638069
164.0414 5.680176
164.5235 4.414757
165.0056 3.165321
165.4877 2.100441
165.9698 1.245872
166.4520 0.6474080
166.9341 0.3964080
167.4162 0.5041730
167.8983 0.7472920
168.3804 1.389854
168.8625 2.044083
169.3447 2.140953
169.8268 1.505547
170.3089 0.7111970
170.7910 0.3642730
171.2731 0.3513340
171.7552 0.3103560
172.2374 4.2465001E-02
172.7195 0.5374680
173.2016 0.6567460
173.6837 0.1666490
174.1658 0.4539490
174.6479 0.8933330
175.1301 1.167976
175.6122 1.339180
176.0943 1.493782
176.5764 1.623199
177.0585 1.487526
177.5406 0.7381060
178.0228 1.9165000E-02
178.5049 0.4553450
178.9870 0.6471630
179.4691 0.5256650
179.9512 0.1075670
180.4333 1.483498
180.9155 2.295174
181.3976 2.074127
181.8797 1.681931
182.3618 1.370583
182.8439 1.233017
183.3260 1.349174
183.8082 1.920471
184.2903 3.430779
184.7724 4.071274
185.2545 3.169746
185.7366 2.077255
186.2187 1.701134
186.7009 2.184204
187.1830 3.001099
187.6651 3.393288
188.1472 3.060875
188.6293 2.905304
189.1114 3.096466
189.5936 3.347885
190.0757 3.285446
190.5578 2.850708
191.0399 2.431396
191.5220 2.636116
192.0041 3.826378
192.4863 4.594673
192.9684 4.709511
193.4505 4.363724
193.9326 3.662964
194.4147 2.535950
194.8968 1.339302
195.3790 0.7831040
195.8611 0.9123230
196.3432 0.9698640
196.8253 0.5265960
197.3074 0.1475980
197.7895 0.3954770
198.2717 0.1170200
198.7538 0.8271260
199.2359 1.001518
199.7180 0.6460040
200.2001 0.1947100
200.6822 0.2396470
201.1644 0.6167450
201.6465 0.7082600
202.1286 0.2887800
202.6107 0.2486880
203.0928 0.5565640
203.5749 0.6335910
204.0571 0.6036300
204.5392 0.4638600
205.0213 0.2182540
205.5034 0.2112660
205.9855 0.8089980
206.4676 1.410606
206.9497 1.691078
207.4319 1.623405
207.9140 1.301529
208.3961 0.6556170
208.8782 0.4414520
209.3603 1.052673
209.8424 0.5163420
210.3246 0.1168750
210.8067 0.3449550
211.2888 0.1197660
211.7709 0.2902830
212.2530 0.5988920
212.7351 0.8126070
213.2173 0.8874510
213.6994 0.7600710
214.1815 0.5581820
214.6636 0.3280490
215.1457 8.7142996E-02
215.6278 0.1532140
216.1100 0.3595580
216.5921 0.4423370
217.0742 0.7348250
217.5563 1.494560
218.0384 2.232651
218.5205 2.617851
219.0027 2.610893
219.4848 2.420181
219.9669 2.311615
220.4490 2.290207
220.9311 2.364609
221.4132 2.551765
221.8954 2.805275
222.3775 3.069252
222.8596 3.341980
223.3417 3.694672
223.8238 4.241089
224.3059 5.112801
224.7881 5.797928
225.2702 6.116394
225.7523 6.385963
226.2344 6.996689
226.7165 7.992668
227.1986 8.892586
227.6807 8.978546
228.1629 7.958580
228.6450 7.623795
229.1271 8.578140
229.6092 10.03659
230.0913 11.20254
230.5734 11.92181
231.0556 12.48087
231.5377 13.14288
232.0198 13.90781
232.5019 14.86436
232.9840 16.08994
233.4661 17.47478
233.9483 18.81554
234.4304 20.04271
234.9125 21.48670
235.3946 23.61052
235.8767 26.25415
236.3588 28.93806
236.8410 31.93031
237.3231 34.80347
237.8052 36.88695
238.2873 38.02335
238.7694 38.70039
239.2515 39.38269
239.7337 39.94151
240.2158 39.97430
240.6979 39.01859
241.1800 37.52789
241.6621 36.32070
242.1442 35.43075
242.6264 34.76357
243.1085 34.44312
243.5906 34.26841
244.0727 33.89153
244.5548 33.00542
245.0369 31.90765
245.5191 31.19591
246.0012 30.86329
246.4833 30.95879
246.9654 31.71255
247.4475 32.81499
247.9296 33.84524
248.4117 34.54652
248.8939 35.14233
249.3760 36.21267
249.8581 38.01779
250.3402 39.75762
250.8223 40.87831
251.3044 41.87260
251.7866 43.29533
252.2687 45.40681
252.7508 48.00623
253.2329 50.69845
253.7150 53.50946
254.1971 56.34694
254.6793 59.33597
255.1614 62.26061
255.6435 64.99307
256.1256 67.51385
256.6077 69.70666
257.0898 71.39672
257.5720 72.66378
258.0541 73.15201
258.5362 73.17048
259.0183 72.36436
259.5004 70.45440
259.9825 67.36351
260.4647 63.16560
260.9468 57.81754
261.4289 50.35155
261.9110 43.63436
262.3931 37.84594
262.8752 32.69624
263.3574 27.94695
263.8395 23.52534
264.3216 19.62370
264.8037 16.54886
265.2858 14.60349
265.7679 12.95587
266.2501 11.73998
266.7322 10.64441
267.2143 9.351112
267.6964 7.914604
268.1785 6.681259
268.6606 6.170654
269.1428 6.796768
269.6249 7.070351
270.1070 6.647171
270.5891 6.205132
271.0712 6.227928
271.5533 6.721260
272.0355 7.285309
272.5176 7.412903
272.9997 6.828606
273.4818 7.029015
273.9639 8.488144
274.4460 10.14502
274.9282 11.45312
275.4103 12.42098
275.8924 13.35471
276.3745 14.55270
276.8566 16.06986
277.3387 17.32945
277.8208 18.10523
278.3029 18.91054
278.7851 20.15828
279.2672 21.67579
279.7493 22.87770
280.2314 23.26410
280.7135 22.88273
281.1956 23.07944
281.6778 24.18115
282.1599 25.38857
282.6420 26.52170
283.1241 27.54784
283.6062 28.41209
284.0883 29.05674
284.5705 29.55910
285.0526 30.33124
285.5347 31.22273
286.0168 32.50227
286.4989 34.51868
286.9810 36.92790
287.4632 39.10007
287.9453 40.71165
288.4274 42.03349
288.9095 43.88104
289.3916 46.54634
289.8737 49.24302
290.3559 52.07043
290.8380 54.78696
291.3201 57.09436
291.8022 58.89877
292.2843 60.16252
292.7664 60.76329
293.2486 60.50478
293.7307 60.04002
294.2128 59.61672
294.6949 58.93034
295.1770 57.63445
295.6591 55.64297
296.1413 53.13827
296.6234 50.25282
297.1055 46.82121
297.5876 43.69116
298.0697 41.12740
298.5518 38.72890
299.0340 36.09470
299.5161 33.20611
299.9982 30.36436
300.4803 27.81954
300.9624 25.61283
301.4445 23.72536
301.9267 22.43423
302.4088 21.24397
302.8909 19.73053
303.3730 17.95029
303.8551 16.32758
304.3372 15.16369
304.8194 14.43739
305.3015 13.75726
305.7836 13.46306
306.2657 12.87728
306.7478 11.37106
307.2299 9.254997
307.7121 7.469086
308.1942 6.527420
308.6763 6.229874
309.1584 5.908424
309.6405 5.571426
310.1227 5.204842
310.6048 4.885681
311.0869 4.526161
311.5690 3.885590
312.0511 2.818092
312.5332 1.634651
313.0154 0.9899140
313.4975 0.9788060
313.9796 1.073860
314.4617 1.277992
314.9438 1.494293
315.4259 1.578545
315.9081 1.491714
316.3902 1.344460
316.8723 1.251991
317.3544 1.209053
317.8365 1.282768
318.3186 1.483253
318.8007 1.800148
319.2828 2.343521
319.7650 3.095596
320.2471 3.685570
320.7292 3.712891
321.2113 3.172966
321.6934 2.989342
322.1755 3.416016
322.6577 3.977554
323.1398 4.421181
323.6219 4.740257
324.1040 4.999084
324.5861 5.202965
325.0682 5.386574
325.5504 5.707443
326.0325 6.241096
326.5146 6.803169
326.9967 7.452888
327.4788 8.087761
327.9609 8.498734
328.4431 8.586617
328.9252 8.387024
329.4073 7.960266
329.8894 7.269066
330.3715 6.524879
330.8536 5.700470
331.3358 4.799454
331.8179 3.801811
332.3000 2.729630
332.7821 1.806404
333.2642 1.355698
333.7463 1.561516
334.2285 1.503937
334.7106 0.9894710
335.1927 0.3754200
335.6748 0.1689610
336.1569 0.6227420
336.6390 0.9128420
337.1212 0.9141540
337.6033 0.6080090
338.0854 0.4545210
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339.0496 0.6473620
339.5317 0.6916200
340.0139 0.6714400
340.4960 0.5425260
340.9781 0.2610630
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341.9423 0.3921590
342.4244 0.3514790
342.9066 0.4544910
343.3887 0.8701100
343.8708 1.430374
344.3529 1.949547
344.8350 2.366600
345.3171 2.670479
345.7993 2.789337
346.2814 2.511055
346.7635 2.385742
347.2456 2.483620
347.7277 2.700638
348.2098 2.954597
348.6920 3.229233
349.1741 3.558701
349.6562 3.990555
350.1383 4.563622
350.6204 5.047241
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351.5847 5.760094
352.0668 5.971703
352.5489 6.113899
353.0310 6.312111
353.5131 6.680046
353.9952 7.176689
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354.9595 6.936272
355.4416 6.565987
355.9237 6.307457
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356.8879 6.331429
357.3701 6.706810
357.8522 7.280838
358.3343 7.958366
358.8164 9.062340
359.2985 9.740608
359.7806 9.666862
360.2627 9.405029
360.7448 9.505394
361.2270 10.00035
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362.1912 9.970390
362.6733 8.436138
363.1554 7.526176
363.6375 7.367889
364.1197 7.660988
364.6018 8.643276
365.0839 10.00657
365.5660 11.09039
366.0481 11.39467
366.5302 11.01435
367.0124 10.69014
367.4945 10.61745
367.9766 10.33375
368.4587 9.633255
368.9408 8.730968
369.4229 7.889099
369.9051 7.220390
370.3872 6.602043
370.8693 5.754139
371.3514 4.493759
371.8335 3.487469
372.3156 2.757389
372.7978 2.322521
373.2799 2.393833
373.7620 2.893070
374.2441 3.306473
374.7262 2.905285
375.2083 1.623840
375.6905 1.105659
376.1726 2.135700
376.6547 3.068092
377.1368 3.186474
377.6189 2.679932
378.1010 1.956936
378.5832 1.130024
379.0653 0.3220900
379.5474 0.1297380
380.0295 0.1556470
380.5116 1.5910000E-03
380.9937 0.4407350
381.4759 0.9183390
381.9580 1.171600
382.4401 1.122501
382.9222 0.9379080
383.4043 0.7911830
383.8864 0.6811100
384.3686 0.5126270
384.8507 0.2103000
385.3328 9.8553002E-02
385.8149 0.2919650
386.2970 0.3813400
386.7791 0.4883580
387.2613 0.8062290
387.7434 1.173656
388.2255 1.131813
388.7076 0.5314600
389.1897 6.7234002E-02
389.6718 0.1972200
390.1540 4.5077998E-02
390.6361 2.0035001E-02
391.1182 0.2150960
391.6003 0.4164620
392.0824 0.1637120
392.5645 0.4794310
393.0467 0.9251980
393.5288 0.8863490
394.0109 0.5651590
394.4930 0.3034400
394.9751 6.9420002E-02
395.4572 6.2054001E-02
395.9394 4.7309998E-02
396.4215 0.2677120
396.9036 0.3718410
397.3857 0.3103520
397.8678 0.1472240
398.3499 0.1084790
398.8321 0.4668080
399.3142 0.6128310
399.7963 0.3015790
400.2784 4.5418002E-02
400.7605 0.1015820
401.2426 8.6585999E-02
401.7247 0.2378230
402.2068 0.1500400
402.6890 7.1442001E-02
403.1711 6.3156001E-02
403.6532 0.8741570
404.1353 1.582886
404.6174 2.042618
405.0995 2.331623
405.5817 2.488213
406.0638 2.534889
406.5459 2.594566
407.0280 2.843071
407.5101 3.330929
407.9922 3.864727
408.4744 4.498631
408.9565 5.122738
409.4386 5.684532
409.9207 6.185116
410.4028 6.654964
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