#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:52:11 +0300 (Thu, 07 Jun 2018) $
#$Revision: 976 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000436.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_1000436
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 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            R040082.rod
_rod_data_source.block           3500000
_rod_database.code               1000436
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
140.8032 0.0000000E+00
141.2853 0.1655580
141.7674 1.250153
142.2495 3.794800
142.7316 7.983978
143.2137 12.36969
143.6959 14.83658
144.1780 17.05859
144.6601 18.83954
145.1422 20.86258
145.6243 23.25473
146.1064 25.86789
146.5886 28.32190
147.0707 30.39813
147.5528 32.51752
148.0349 34.91745
148.5170 38.63156
148.9991 41.01050
149.4813 40.98584
149.9634 38.96350
150.4455 38.68799
150.9276 41.02127
151.4097 44.44455
151.8918 47.92780
152.3740 51.55298
152.8561 55.20465
153.3382 58.77676
153.8203 62.25055
154.3024 66.02661
154.7845 69.96686
155.2667 74.24167
155.7488 79.05188
156.2309 87.03168
156.7130 92.84741
157.1951 95.14053
157.6772 93.83105
158.1594 90.94354
158.6415 85.97961
159.1236 80.02301
159.6057 74.04236
160.0878 68.58508
160.5699 62.95761
161.0521 56.55762
161.5342 49.21347
162.0163 42.53568
162.4984 37.11435
162.9805 32.65988
163.4626 28.80930
163.9448 25.86172
164.4269 23.16098
164.9090 20.26059
165.3911 17.03488
165.8732 14.10568
166.3553 11.74481
166.8375 9.885742
167.3196 8.420013
167.8017 7.316254
168.2838 6.572906
168.7659 6.412476
169.2480 7.146027
169.7302 7.399689
170.2123 5.665771
170.6944 2.734528
171.1765 0.3700560
171.6586 0.4005740
172.1407 0.2567140
172.6229 0.3037410
173.1050 1.431366
173.5871 2.291504
174.0692 1.660553
174.5513 0.2974550
175.0334 0.1919860
175.5156 0.8901980
175.9977 2.716034
176.4798 3.969086
176.9619 4.732910
177.4440 4.486359
177.9261 4.532196
178.4083 4.898682
178.8904 5.402313
179.3725 5.950684
179.8546 6.398102
180.3367 6.819061
180.8188 7.380005
181.3010 7.827789
181.7831 7.668060
182.2652 7.021881
182.7473 6.292389
183.2294 5.433380
183.7115 4.680725
184.1937 4.858856
184.6758 6.574097
185.1579 8.745575
185.6400 9.508026
186.1221 8.892731
186.6042 7.829315
187.0864 6.872650
187.5685 6.036102
188.0506 5.426147
188.5327 5.137207
189.0148 5.025757
189.4969 4.777466
189.9791 4.391724
190.4612 3.959442
190.9433 3.472168
191.4254 2.962799
191.9075 2.688995
192.3896 2.762177
192.8718 3.087891
193.3539 3.507690
193.8360 4.068054
194.3181 4.412170
194.8002 4.092987
195.2823 3.123566
195.7645 2.215424
196.2466 1.480255
196.7287 0.9251400
197.2108 0.5268250
197.6929 0.2223510
198.1750 0.3073730
198.6572 1.254913
199.1393 3.320984
199.6214 4.642548
200.1035 4.451935
200.5856 3.091400
201.0677 2.723511
201.5499 3.543457
202.0320 4.693207
202.5141 5.406403
202.9962 5.673859
203.4783 5.619385
203.9604 5.241272
204.4426 4.568207
204.9247 3.685577
205.4068 2.472351
205.8889 1.398041
206.3710 1.186615
206.8531 2.152924
207.3353 2.332611
207.8174 0.8346860
208.2995 2.114868
208.7816 3.346741
209.2637 2.490387
209.7458 0.6391910
210.2280 1.619537
210.7101 4.967804
211.1922 6.047394
211.6743 3.119659
212.1564 3.578400
212.6385 7.178680
213.1207 6.738464
213.6028 4.692566
214.0849 3.472351
214.5670 3.323364
215.0491 3.291107
215.5313 3.153107
216.0134 2.910614
216.4955 2.941528
216.9776 3.423187
217.4597 3.932312
217.9418 4.031311
218.4239 3.643707
218.9061 3.044373
219.3882 2.220154
219.8703 1.178955
220.3524 0.2895510
220.8345 0.3494870
221.3166 0.9386600
221.7988 1.693542
222.2809 2.650879
222.7630 3.648071
223.2451 4.512939
223.7272 5.245911
224.2093 6.810852
224.6915 9.858215
225.1736 13.04108
225.6557 14.79767
226.1378 14.26288
226.6199 14.23975
227.1020 15.35193
227.5842 17.61755
228.0663 19.88287
228.5484 22.27594
229.0305 24.56018
229.5126 26.39917
229.9947 27.21185
230.4769 28.76398
230.9590 31.48834
231.4411 35.37006
231.9232 39.43658
232.4053 43.82434
232.8874 48.29974
233.3696 52.53326
233.8517 55.75885
234.3338 60.31342
234.8159 67.08527
235.2980 76.07166
235.7801 83.70154
236.2623 89.68127
236.7444 94.64111
237.2265 99.07996
237.7086 103.0250
238.1907 106.4468
238.6728 109.5728
239.1550 112.3376
239.6371 113.4539
240.1192 112.2312
240.6013 110.1357
241.0834 108.2951
241.5655 106.9053
242.0477 105.3788
242.5298 103.5046
243.0119 101.3467
243.4940 99.62848
243.9761 98.43829
244.4582 97.56854
244.9404 96.82697
245.4225 95.95367
245.9046 95.74188
246.3867 96.38171
246.8688 97.78729
247.3509 99.32074
247.8331 100.7003
248.3152 102.5724
248.7973 105.4374
249.2794 109.8358
249.7615 114.0453
250.2436 117.3627
250.7258 120.3257
251.2079 125.4509
251.6900 133.2136
252.1721 142.4645
252.6542 152.6377
253.1363 163.6714
253.6185 175.5479
254.1006 188.0473
254.5827 201.3402
255.0648 215.7996
255.5469 230.8254
256.0291 247.7089
256.5112 267.6347
256.9933 292.8019
257.4754 315.8646
257.9575 337.2573
258.4396 356.2671
258.9218 371.0950
259.4039 384.5738
259.8860 388.9814
260.3681 379.9949
260.8502 354.3327
261.3323 323.8447
261.8145 286.4344
262.2966 245.7155
262.7787 208.6125
263.2608 174.6447
263.7429 145.1544
264.2250 120.4795
264.7072 101.1358
265.1893 85.57965
265.6714 74.73242
266.1535 66.86914
266.6356 59.40588
267.1177 52.43488
267.5999 45.83868
268.0820 39.36157
268.5641 32.69708
269.0462 27.53308
269.5283 24.11993
270.0104 21.62128
270.4926 19.20819
270.9747 17.16046
271.4568 15.27765
271.9389 13.29449
272.4210 11.12402
272.9031 9.955383
273.3853 10.19397
273.8674 10.74469
274.3495 9.904846
274.8316 7.228027
275.3137 5.359985
275.7958 5.340759
276.2780 7.012329
276.7601 7.818665
277.2422 7.504456
277.7243 6.995361
278.2064 7.297546
278.6885 8.485718
279.1707 9.615784
279.6528 10.33417
280.1349 10.83185
280.6170 12.03656
281.0991 14.07782
281.5812 16.44769
282.0634 19.00726
282.5455 21.83313
283.0276 23.49341
283.5097 23.43036
283.9918 22.20752
284.4739 21.34973
284.9561 20.80212
285.4382 21.02496
285.9203 22.52856
286.4024 25.24237
286.8845 28.37183
287.3666 31.87610
287.8488 35.56989
288.3309 38.98279
288.8130 42.10022
289.2951 45.26050
289.7772 48.71899
290.2593 52.40295
290.7415 56.21869
291.2236 60.25287
291.7057 64.08594
292.1878 67.01660
292.6699 69.07635
293.1520 70.61572
293.6342 71.86780
294.1163 72.76379
294.5984 73.01794
295.0805 72.61786
295.5626 71.61737
296.0447 70.07758
296.5269 67.99359
297.0090 65.32117
297.4911 61.46704
297.9732 57.08997
298.4553 53.73761
298.9374 51.46948
299.4196 49.80554
299.9017 48.66913
300.3838 47.81464
300.8659 46.57123
301.3480 44.22028
301.8301 41.55719
302.3123 39.86310
302.7944 39.09595
303.2765 38.51892
303.7586 37.42267
304.2407 36.10535
304.7228 35.11554
305.2050 34.90649
305.6871 34.83215
306.1692 34.44617
306.6513 33.69135
307.1334 32.21252
307.6155 29.02728
308.0977 25.21991
308.5798 22.23145
309.0619 20.69574
309.5440 19.46051
310.0261 17.68860
310.5082 15.46307
310.9904 13.04944
311.4725 10.16846
311.9546 7.363037
312.4367 5.066833
312.9188 3.329590
313.4009 2.172546
313.8831 1.964294
314.3652 2.343567
314.8473 2.622498
315.3294 2.647461
315.8115 2.389832
316.2936 1.629456
316.7758 0.2130740
317.2579 0.7387700
317.7400 0.3735960
318.2221 0.6334230
318.7042 1.426453
319.1863 1.529236
319.6685 1.553162
320.1506 1.611145
320.6327 1.707825
321.1148 2.229919
321.5969 3.339783
322.0790 4.887695
322.5612 6.775269
323.0433 9.272522
323.5254 11.77875
324.0075 14.17212
324.4896 16.46472
324.9717 18.69086
325.4539 21.61267
325.9360 23.98010
326.4181 25.06140
326.9002 24.01135
327.3823 22.69574
327.8644 21.43396
328.3466 20.02051
328.8287 17.82159
329.3108 13.32477
329.7929 9.397156
330.2750 7.221558
330.7571 7.827148
331.2393 7.669556
331.7214 6.243835
332.2035 4.269165
332.6856 2.933655
333.1677 2.597656
333.6498 2.373169
334.1320 1.984131
334.6141 1.344788
335.0962 1.288696
335.5783 2.330322
336.0604 3.370117
336.5425 2.994751
337.0247 0.1204220
337.5068 1.364136
337.9889 4.1870002E-02
338.4710 3.670349
338.9531 5.204651
339.4352 3.705566
339.9173 1.823242
340.3994 1.903931
340.8816 4.363831
341.3637 5.898132
341.8458 5.774292
342.3279 4.811523
342.8100 5.147461
343.2921 6.890747
343.7743 9.215088
344.2564 12.14917
344.7385 15.63202
345.2206 17.46667
345.7027 17.20673
346.1848 16.06146
346.6670 15.69275
347.1491 16.11499
347.6312 17.45038
348.1133 20.63873
348.5954 24.90283
349.0775 27.15375
349.5597 27.12921
350.0418 26.47479
350.5239 27.33978
351.0060 29.21881
351.4881 30.41040
351.9702 29.99738
352.4524 28.92932
352.9345 28.53882
353.4166 28.79736
353.8987 29.43488
354.3808 30.27979
354.8629 31.36871
355.3451 32.82294
355.8272 34.88025
356.3093 36.86365
356.7914 37.83411
357.2735 38.19476
357.7556 39.02258
358.2378 41.07831
358.7199 43.72784
359.2020 46.39343
359.6841 48.94482
360.1662 51.86713
360.6483 55.57983
361.1305 59.79590
361.6126 64.11450
362.0947 68.43341
362.5768 72.78375
363.0589 76.98407
363.5410 81.05377
364.0232 85.90302
364.5053 93.47577
364.9874 101.0720
365.4695 106.5946
365.9516 109.4435
366.4337 110.3780
366.9159 109.5897
367.3980 107.0353
367.8801 102.5153
368.3622 94.90869
368.8443 86.23859
369.3264 77.19836
369.8086 66.64874
370.2907 57.78314
370.7728 51.08600
371.2549 45.91516
371.7370 41.32703
372.2191 37.57043
372.7013 34.02069
373.1834 30.40710
373.6655 26.60419
374.1476 23.89307
374.6297 22.82153
375.1118 22.24274
375.5940 21.04553
376.0761 18.96515
376.5582 17.19720
377.0403 16.08374
377.5224 15.42914
378.0045 14.09985
378.4867 11.83899
378.9688 9.952820
379.4509 9.597961
379.9330 10.81403
380.4151 11.47388
380.8972 11.43555
381.3794 10.72534
381.8615 9.055359
382.3436 6.430420
382.8257 4.144714
383.3078 2.702698
383.7899 2.025330
384.2721 2.088928
384.7542 2.973511
385.2363 3.681030
385.7184 2.877991
386.2005 1.086182
386.6826 0.3013310
387.1648 0.8020020
387.6469 0.7257080
388.1290 0.2701420
388.6111 0.5025630
389.0932 1.223694
389.5753 1.915894
390.0575 2.327148
390.5396 2.067871
391.0217 0.8751220
391.5038 0.3771970
391.9859 1.189514
392.4680 1.623169
392.9502 1.798218
393.4323 1.634827
393.9144 1.333191
394.3965 0.8373410
394.8786 0.1204830
395.3607 6.2683001E-02
395.8429 1.111572
396.3250 2.628418
396.8071 3.566650
397.2892 3.427856
397.7713 3.012085
398.2534 2.336487
398.7356 1.468018
399.2177 0.7412720
399.6998 0.2922360
400.1819 9.8876998E-02
400.6640 0.5692140
401.1461 1.405518
401.6283 1.715149
402.1104 1.081665
402.5925 0.1122440
403.0746 0.2435910
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405.4852 1.146240
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411.7527 5.557312
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414.1633 12.64923
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415.1275 13.67224
415.6096 14.39197
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416.5739 16.57648
417.0560 18.86969
417.5381 21.49670
418.0202 23.66675
418.5023 25.10895
418.9845 26.36664
419.4666 27.51929
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420.4308 30.33643
420.9129 32.40796
421.3951 34.90344
421.8772 38.01428
422.3593 41.74701
422.8414 45.29498
423.3235 48.50330
423.8056 51.38385
424.2878 53.90845
424.7699 55.67957
425.2520 57.55963
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426.2162 62.77252
426.6983 64.51898
427.1805 65.20093
427.6626 64.98157
428.1447 63.92450
428.6268 62.05969
429.1089 59.15454
429.5910 54.67963
430.0732 49.67261
430.5553 45.41675
431.0374 42.14923
431.5195 38.64221
432.0016 34.35840
432.4837 29.61670
432.9659 25.90314
433.4480 23.29840
433.9301 21.19427
434.4122 19.25024
434.8943 17.45807
435.3764 15.72437
435.8586 14.00336
436.3407 12.46600
436.8228 11.25623
437.3049 10.40704
437.7870 10.06354
438.2691 10.83569
438.7513 11.90753
439.2334 11.99731
439.7155 11.15820
440.1976 10.23468
440.6797 9.945618
441.1618 9.886536
441.6440 9.467163
442.1261 8.105042
442.6082 7.192871
443.0903 8.096069
443.5724 10.04480
444.0545 11.34058
444.5367 10.67053
445.0188 9.718994
445.5009 9.294739
445.9830 9.562317
446.4651 9.915039
446.9472 10.19684
447.4294 10.54761
447.9115 11.14136
448.3936 12.14362
448.8757 13.02148
449.3578 13.43756
449.8399 13.64563
450.3221 14.63586
450.8042 17.15759
451.2863 19.47424
451.7684 20.82471
452.2505 20.94806
452.7326 21.09888
453.2148 21.29419
453.6969 21.45447
454.1790 21.60559
454.6611 21.83154
455.1432 21.79822
455.6253 21.43671
456.1075 20.65283
456.5896 18.98633
457.0717 16.43579
457.5538 14.29242
458.0359 13.76575
458.5180 14.25507
459.0002 14.36462
459.4823 13.92133
459.9644 13.31433
460.4465 12.81061
460.9286 12.42865
461.4107 12.25452
461.8929 12.56921
462.3750 12.82751
462.8571 12.30457
463.3392 11.23883
463.8213 10.72308
464.3034 11.70233
464.7856 13.27643
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