#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:28:23 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1123 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000552.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_1000552
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        R100150
_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            R100150.rod
_rod_data_source.block           3500000
_rod_database.code               1000552
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
107.9617 0.0000000E+00
108.4438 2.1103000E-02
108.9259 6.1783001E-02
109.4080 2.9967999E-02
109.8901 0.2693480
110.3722 1.070595
110.8544 2.201645
111.3365 4.102165
111.8186 7.166100
112.3007 11.15202
112.7828 15.63006
113.2649 19.94241
113.7471 24.20575
114.2292 30.08987
114.7113 37.84490
115.1934 47.50723
115.6755 58.72588
116.1576 71.63357
116.6397 86.79912
117.1219 105.1373
117.6040 127.4071
118.0861 150.9355
118.5682 180.5133
119.0503 207.8026
119.5324 229.5217
120.0146 244.4151
120.4967 251.4356
120.9788 248.5575
121.4609 228.9715
121.9430 208.0962
122.4251 183.3779
122.9073 157.2758
123.3894 134.4079
123.8715 115.8736
124.3536 100.7473
124.8357 88.34328
125.3178 78.75944
125.8000 70.54241
126.2821 63.60362
126.7642 57.75495
127.2463 52.52679
127.7284 47.98096
128.2105 43.77518
128.6927 39.19294
129.1748 34.14411
129.6569 28.94521
130.1390 23.58845
130.6211 17.90804
131.1032 13.09065
131.5854 10.05427
132.0675 7.987213
132.5496 6.300758
133.0317 4.804565
133.5138 3.525192
133.9959 2.559082
134.4781 2.196945
134.9602 1.689468
135.4423 0.5837780
135.9244 0.7324980
136.4065 1.680740
136.8886 1.895859
137.3708 1.464539
137.8529 1.211205
138.3350 1.529068
138.8171 1.661263
139.2992 1.263908
139.7813 0.5160680
140.2635 0.1889950
140.7456 0.6038740
141.2277 0.7600400
141.7098 1.306335
142.1919 1.681602
142.6740 1.905525
143.1561 2.166245
143.6383 2.497383
144.1204 2.911255
144.6025 3.479286
145.0846 4.258415
145.5667 4.854240
146.0488 5.169418
146.5310 5.390976
147.0131 5.607620
147.4952 5.829071
147.9773 6.248459
148.4594 7.261528
148.9415 8.770439
149.4237 10.27130
149.9058 11.28066
150.3879 12.10131
150.8700 13.64042
151.3521 16.34186
151.8342 19.42333
152.3164 22.15164
152.7985 24.56858
153.2806 27.11828
153.7627 30.11153
154.2448 33.55663
154.7269 37.25074
155.2091 42.22686
155.6912 46.59615
156.1733 49.53393
156.6554 50.92262
157.1375 50.91625
157.6196 49.47943
158.1018 46.09700
158.5839 42.73139
159.0660 39.56316
159.5481 36.39684
160.0302 33.11170
160.5123 29.74586
160.9945 26.49397
161.4766 23.25037
161.9587 19.53145
162.4408 16.30820
162.9229 13.90822
163.4050 11.95816
163.8871 10.00641
164.3693 7.832489
164.8514 5.702301
165.3335 4.150536
165.8156 3.690422
166.2977 3.375832
166.7798 3.147392
167.2620 3.015869
167.7441 3.074173
168.2262 3.422264
168.7083 3.844269
169.1904 3.678200
169.6725 2.631248
170.1547 1.665375
170.6368 1.144577
171.1189 1.008560
171.6010 1.091064
172.0831 1.444191
172.5652 1.874458
173.0474 2.026657
173.5295 1.875511
174.0116 1.500179
174.4937 0.7033000
174.9758 0.5158040
175.4579 1.197140
175.9401 0.5167500
176.4222 0.7552410
176.9043 1.839596
177.3864 2.619442
177.8685 3.139751
178.3506 3.373852
178.8328 3.203403
179.3149 3.172459
179.7970 3.762390
180.2791 4.431423
180.7612 4.595043
181.2433 3.959717
181.7255 3.038631
182.2076 3.055294
182.6897 4.864647
183.1718 6.031231
183.6539 5.601036
184.1360 4.570553
184.6181 3.998596
185.1003 4.417828
185.5824 5.501091
186.0645 6.076649
186.5466 5.577477
187.0287 5.230103
187.5108 5.367290
187.9930 5.702145
188.4751 5.847973
188.9572 5.580566
189.4393 4.975620
189.9214 4.505589
190.4035 4.042984
190.8857 3.854568
191.3678 4.269093
191.8499 4.975792
192.3320 5.431820
192.8141 5.271988
193.2962 4.575989
193.7784 4.096954
194.2605 4.106922
194.7426 4.048584
195.2247 3.708435
195.7068 3.152908
196.1889 2.570171
196.6711 2.086472
197.1532 1.743725
197.6353 1.555435
198.1174 1.642315
198.5995 1.730991
199.0816 1.567379
199.5638 1.210995
200.0459 1.046852
200.5280 1.344978
201.0101 2.012756
201.4922 2.673843
201.9743 3.301819
202.4565 3.940144
202.9386 4.558712
203.4207 5.150612
203.9028 5.953682
204.3849 7.324379
204.8670 8.911278
205.3492 10.23061
205.8313 11.24973
206.3134 11.90478
206.7955 12.13500
207.2776 11.95731
207.7597 11.26209
208.2419 9.566895
208.7240 7.479752
209.2061 5.470131
209.6882 3.565800
210.1703 2.047165
210.6524 1.653126
211.1346 3.064545
211.6167 3.826828
212.0988 2.708466
212.5809 0.8401030
213.0630 0.8150140
213.5451 1.897015
214.0273 2.450321
214.5094 2.495964
214.9915 1.693996
215.4736 0.9764290
215.9557 0.4315190
216.4378 8.3945997E-02
216.9200 2.1170001E-03
217.4021 0.2096560
217.8842 0.6088070
218.3663 0.9016080
218.8484 1.179333
219.3305 1.180225
219.8127 0.7843170
220.2948 0.1608770
220.7769 0.5794640
221.2590 1.386761
221.7411 2.168396
222.2232 2.642216
222.7054 2.566711
223.1875 2.432602
223.6696 2.114758
224.1517 1.810524
224.6338 1.792114
225.1159 2.183224
225.5980 2.820934
226.0802 3.230766
226.5623 2.959076
227.0444 2.994667
227.5265 3.535107
228.0086 4.376591
228.4907 5.225693
228.9729 5.955685
229.4550 6.717453
229.9371 7.913006
230.4192 9.833664
230.9013 11.69275
231.3834 13.32926
231.8656 14.83103
232.3477 16.11285
232.8298 16.99157
233.3119 18.05717
233.7940 20.91483
234.2761 26.16663
234.7583 31.29322
235.2404 35.60520
235.7225 39.37649
236.2046 43.15899
236.6867 47.20846
237.1688 51.18587
237.6510 54.72729
238.1331 58.08779
238.6152 60.24366
239.0973 60.75410
239.5794 59.81545
240.0615 57.61320
240.5437 53.80912
241.0258 49.53818
241.5079 46.31350
241.9900 44.08048
242.4721 42.02876
242.9542 39.69013
243.4364 37.28957
243.9185 35.41282
244.4006 34.23767
244.8827 33.51161
245.3648 33.00549
245.8469 32.70173
246.3290 32.55137
246.8112 32.42018
247.2933 32.40990
247.7754 32.83093
248.2575 33.71837
248.7396 35.10158
249.2217 36.84891
249.7039 38.99567
250.1860 41.74084
250.6681 45.11331
251.1502 49.14353
251.6323 54.06576
252.1144 60.05394
252.5966 66.71564
253.0787 73.44440
253.5608 80.50958
254.0429 88.68674
254.5250 98.85004
255.0071 110.4461
255.4893 121.4663
255.9714 131.7687
256.4535 141.5908
256.9356 152.0475
257.4177 162.1116
257.8998 170.2669
258.3820 176.0137
258.8641 179.0124
259.3462 178.0154
259.8283 172.8100
260.3104 163.3301
260.7925 148.2707
261.2747 130.0711
261.7568 111.6424
262.2389 94.01656
262.7210 77.61228
263.2031 63.41456
263.6852 51.59128
264.1674 42.02157
264.6495 35.10195
265.1316 29.82232
265.6137 25.21824
266.0958 20.88002
266.5779 16.96394
267.0601 13.89966
267.5422 12.02081
268.0243 10.49812
268.5064 9.372444
268.9885 8.401009
269.4706 7.290268
269.9528 5.949394
270.4349 4.638218
270.9170 3.875885
271.3991 4.004669
271.8812 4.014900
272.3633 3.761040
272.8455 3.521217
273.3276 3.375771
273.8097 3.366875
274.2918 3.596409
274.7739 4.266556
275.2560 5.626675
275.7382 6.879108
276.2202 7.999069
276.7024 9.057884
277.1845 10.00263
277.6666 10.90826
278.1487 12.02729
278.6308 13.70312
279.1129 16.19247
279.5951 18.30817
280.0772 20.17082
280.5593 21.64508
281.0414 22.61055
281.5235 23.10014
282.0056 23.22163
282.4878 23.00409
282.9699 22.32417
283.4520 22.22623
283.9341 22.58466
284.4162 23.53402
284.8983 25.12727
285.3805 27.36465
285.8626 30.27035
286.3447 33.91749
286.8268 38.28087
287.3089 42.70424
287.7910 46.86382
288.2732 51.40454
288.7553 56.35249
289.2374 61.81514
289.7195 67.99454
290.2016 75.06540
290.6837 82.82845
291.1659 90.38670
291.6480 98.71243
292.1301 105.6490
292.6122 110.9735
293.0943 114.6531
293.5764 116.6251
294.0586 116.8604
294.5407 115.4763
295.0228 112.7734
295.5049 107.6431
295.9870 102.4554
296.4691 97.60654
296.9513 92.60320
297.4334 86.61610
297.9155 79.45236
298.3976 72.03919
298.8797 65.95717
299.3618 61.93501
299.8440 58.06752
300.3261 54.15371
300.8082 50.54108
301.2903 47.54290
301.7724 45.20720
302.2545 43.23478
302.7367 41.26894
303.2188 39.27911
303.7009 37.48368
304.1830 36.16441
304.6651 34.78595
305.1472 33.04766
305.6294 30.92723
306.1115 28.52316
306.5936 25.90826
307.0757 23.06302
307.5578 20.10596
308.0399 16.67504
308.5221 13.50004
309.0042 10.93253
309.4863 8.886978
309.9684 7.145897
310.4505 5.586128
310.9326 4.205769
311.4148 3.062775
311.8969 2.197922
312.3790 1.473408
312.8611 0.9806370
313.3432 0.5873110
313.8253 1.1440000E-02
314.3075 0.9822040
314.7896 2.029358
315.2717 2.371628
315.7538 1.344189
316.2359 0.5684280
316.7180 0.3052670
317.2001 0.2948910
317.6823 0.2568890
318.1644 0.1099930
318.6465 4.2319998E-02
319.1286 2.7923999E-02
319.6107 0.3098720
320.0928 0.4207420
320.5750 0.4400520
321.0571 0.1522980
321.5392 0.7808420
322.0213 2.306484
322.5034 3.878742
322.9855 4.878265
323.4677 5.152222
323.9498 6.137218
324.4319 8.458042
324.9140 10.79462
325.3961 12.40818
325.8782 13.44553
326.3604 14.55556
326.8425 16.23721
327.3246 18.39484
327.8067 19.97101
328.2888 20.90965
328.7709 21.43993
329.2531 21.82227
329.7352 21.81745
330.2173 20.87287
330.6994 18.67376
331.1815 15.66220
331.6636 13.04197
332.1458 10.89885
332.6279 9.082260
333.1100 7.685398
333.5921 6.586269
334.0742 5.740639
334.5563 5.110931
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335.5206 3.640942
336.0027 2.330177
336.4848 1.398731
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344.6808 3.064293
345.1629 3.623489
345.6450 4.606907
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346.6093 6.960159
347.0914 7.965473
347.5735 8.959160
348.0556 10.24217
348.5377 12.33887
349.0198 13.72481
349.5020 14.24949
349.9841 14.29105
350.4662 13.93219
350.9483 13.28635
351.4304 12.60730
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355.2874 11.51482
355.7695 10.87075
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356.7337 9.875759
357.2158 10.61098
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358.6621 10.64206
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360.1085 10.23579
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361.0727 12.03760
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366.8581 23.90511
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380.3574 2.843693
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383.2501 1.462360
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385.1786 2.028816
385.6607 1.777306
386.1428 1.144314
386.6249 0.5109710
387.1070 6.8432003E-02
387.5891 0.5289380
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393.8567 1.425037
394.3388 1.090137
394.8209 0.3322790
395.3030 0.1233630
395.7851 1.5736001E-02
396.2672 0.4026180
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397.7136 0.6563640
398.1957 0.6877140
398.6778 0.5459400
399.1599 0.3833920
399.6420 0.2234310
400.1241 8.8919997E-03
400.6063 0.3498420
401.0884 0.8697090
401.5705 0.9793430
402.0526 0.2416760
402.5347 0.3624950
403.0168 0.4693110
403.4990 0.2580600
403.9811 1.2207000E-02
404.4632 0.1335450
404.9453 0.1862950
405.4274 0.1601940
405.9095 4.4151001E-02
406.3917 0.1432760
406.8738 0.4573710
407.3559 0.7930300
407.8380 1.055496
408.3201 1.247696
408.8022 1.467949
409.2844 1.852837
409.7665 2.423622
410.2486 2.776268
410.7307 2.493675
411.2128 2.450294
411.6949 3.031921
412.1771 3.994068
412.6592 4.940117
413.1413 5.675026
413.6234 6.287106
414.1055 7.004017
414.5876 7.937599
415.0698 8.640751
415.5519 8.628323
416.0340 8.601395
416.5161 8.998085
416.9982 9.884018
417.4803 11.13153
417.9625 12.89111
418.4446 15.02913
418.9267 16.53909
419.4088 16.84535
419.8909 17.43790
420.3730 19.34380
420.8552 22.18903
421.3373 25.27179
421.8194 28.36024
422.3015 31.57612
422.7836 35.05828
423.2657 38.80000
423.7479 42.80404
424.2300 47.29248
424.7121 51.83522
425.1942 55.84687
425.6763 59.29516
426.1584 62.38088
426.6406 65.73763
427.1227 68.63765
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