#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:41:07 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1225 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000637.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_1000637
loop_
_publ_author_name
'Andreozzi G B'
'Lucchesi S'
'Graziani G'
'Russo U'
_publ_section_title
;
 Site distribution of Fe2+ and Fe3+ in axinite mineral group: New
 crystal-chemical formula Sample 47
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1763
_journal_page_last               1771
_journal_volume                  89
_journal_year                    2004
_chemical_compound_source        R060183
_chemical_formula_sum
'Al1.86 B Ca1.95 Fe0.18 H0.9 Mg0.015 Mn0.995 O16 Si4'
_chemical_name_mineral           Manganaxinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.761
_cell_angle_beta                 98.153
_cell_angle_gamma                77.150
_cell_length_a                   7.1849
_cell_length_b                   9.2152
_cell_length_c                   8.9765
_cell_volume                     573.595
_cod_original_formula_sum
'Si4 B Ca1.95 Mn.995 Fe.18 Mg.015 Al1.86 O16 H.9'
_cod_database_code               9003566
_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            R060183.rod
_rod_data_source.block           3500000
_rod_database.code               1000637
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 9003566 COD http://www.crystallography.net/cod/9003566.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
142.6476 0.0000000E+00
143.1297 0.4514010
143.6118 8.2641996E-02
144.0939 7.9079002E-02
144.5761 0.7546840
145.0582 2.325668
145.5403 4.528481
146.0224 7.343567
146.5045 10.78953
146.9866 14.71838
147.4688 19.05651
147.9509 23.88168
148.4330 29.68816
148.9151 36.72149
149.3972 43.16656
149.8793 47.74554
150.3615 51.11668
150.8436 53.96049
151.3257 56.80031
151.8078 59.10583
152.2899 59.62248
152.7720 58.05070
153.2542 55.11123
153.7363 50.57870
154.2184 45.17774
154.7005 39.96204
155.1826 35.60056
155.6647 32.05329
156.1469 28.99529
156.6290 27.22164
157.1111 25.21162
157.5932 22.36441
158.0753 18.94532
158.5574 15.55963
159.0396 12.67970
159.5217 10.31527
160.0038 8.455307
160.4859 7.090630
160.9680 6.144341
161.4501 5.675476
161.9323 5.640648
162.4144 5.949760
162.8965 6.861305
163.3786 8.687073
163.8607 11.73402
164.3428 15.76797
164.8250 19.98858
165.3071 23.88824
165.7892 27.36663
166.2713 30.71914
166.7534 33.93520
167.2355 37.14260
167.7177 41.31714
168.1998 47.00797
168.6819 53.59267
169.1640 60.51488
169.6461 67.84250
170.1282 74.79754
170.6104 80.49152
171.0925 85.08942
171.5746 88.46265
172.0567 90.73811
172.5388 91.75968
173.0209 90.93515
173.5031 87.65372
173.9852 83.01475
174.4673 78.01112
174.9494 72.67097
175.4315 67.11381
175.9136 61.32323
176.3958 55.30255
176.8779 49.49640
177.3600 43.81808
177.8421 38.53828
178.3242 33.99138
178.8063 30.10592
179.2885 26.41089
179.7706 22.29517
180.2527 17.54002
180.7348 13.30478
181.2169 9.708168
181.6990 6.594215
182.1812 3.983429
182.6633 1.841286
183.1454 8.1123002E-02
183.6275 1.411415
184.1096 2.601082
184.5917 3.552467
185.0738 4.411865
185.5560 5.001785
186.0381 5.162125
186.5202 4.843391
187.0023 4.013336
187.4844 2.991104
187.9665 1.449905
188.4487 0.3162690
188.9308 1.326706
189.4129 2.465843
189.8950 4.703484
190.3771 8.425858
190.8592 13.05103
191.3414 17.24113
191.8235 20.74315
192.3056 24.25536
192.7877 28.29948
193.2698 32.24731
193.7519 35.36236
194.2341 37.42333
194.7162 38.42410
195.1983 37.97990
195.6804 35.82775
196.1625 33.69704
196.6446 32.00475
197.1268 30.70610
197.6089 29.61449
198.0910 28.51856
198.5731 27.89254
199.0552 28.38207
199.5373 29.98134
200.0195 32.30117
200.5016 35.24888
200.9837 38.75446
201.4658 42.98206
201.9479 48.26006
202.4300 54.11107
202.9122 59.81958
203.3943 65.36100
203.8764 71.09483
204.3585 77.49358
204.8406 84.56383
205.3227 91.31549
205.8048 97.59772
206.2870 103.3292
206.7691 108.4636
207.2512 112.9823
207.7333 116.8537
208.2154 119.9357
208.6975 122.1525
209.1797 124.0178
209.6618 125.5563
210.1439 126.7907
210.6260 127.5867
211.1081 127.9610
211.5902 128.2040
212.0724 128.7784
212.5545 129.9543
213.0366 130.6076
213.5187 130.3496
214.0008 129.8194
214.4829 129.3695
214.9651 129.0813
215.4472 128.8306
215.9293 128.4019
216.4114 127.5608
216.8935 127.0482
217.3756 127.7781
217.8578 128.1732
218.3399 127.1894
218.8220 124.5917
219.3041 120.7967
219.7862 116.5131
220.2683 112.3388
220.7505 106.2157
221.2326 97.06475
221.7147 86.84440
222.1968 76.70255
222.6789 67.02674
223.1610 58.00095
223.6432 49.91401
224.1253 43.13233
224.6074 36.76244
225.0895 30.63435
225.5716 24.98798
226.0537 20.10228
226.5358 16.02041
227.0180 12.56022
227.5001 9.490532
227.9822 6.832596
228.4643 4.644852
228.9464 3.139999
229.4285 2.017288
229.9107 0.9871220
230.3928 1.5830999E-02
230.8749 0.8862990
231.3570 1.372566
231.8391 1.410385
232.3212 1.752060
232.8034 2.987007
233.2855 4.406479
233.7676 5.056961
234.2497 4.711716
234.7318 3.936020
235.2139 3.285378
235.6961 2.741714
236.1782 2.141541
236.6603 1.524422
237.1424 0.8026200
237.6245 0.2515950
238.1066 1.778000
238.5888 3.278679
239.0709 4.188644
239.5530 4.670578
240.0351 5.201782
240.5172 6.111732
240.9993 7.082886
241.4815 7.463547
241.9636 7.039925
242.4457 6.577271
242.9278 6.832184
243.4099 7.485817
243.8920 7.858780
244.3742 7.542053
244.8563 6.819214
245.3384 6.227859
245.8205 5.703247
246.3026 5.557343
246.7847 5.850777
247.2668 6.552757
247.7490 7.681595
248.2311 9.270180
248.7132 11.20714
249.1953 13.27405
249.6774 15.34100
250.1595 17.83605
250.6417 20.95786
251.1238 24.53144
251.6059 28.40772
252.0880 32.63065
252.5701 36.97775
253.0522 40.95509
253.5344 44.49554
254.0165 47.71568
254.4986 50.79343
254.9807 53.58154
255.4628 56.03696
255.9449 58.19104
256.4271 59.76884
256.9092 60.00629
257.3913 58.17801
257.8734 56.31552
258.3555 54.90363
258.8376 53.63419
259.3198 52.14471
259.8019 50.29463
260.2840 48.35695
260.7661 46.77136
261.2482 44.97184
261.7303 44.78121
262.2125 46.99452
262.6946 50.23273
263.1767 53.54280
263.6588 56.58984
264.1409 59.30639
264.6230 61.56917
265.1052 63.17195
265.5873 64.68405
266.0694 66.04999
266.5515 67.40227
267.0336 68.93194
267.5157 70.63553
267.9979 72.24107
268.4800 73.31468
268.9621 73.58517
269.4442 73.87120
269.9263 74.67318
270.4084 75.13432
270.8906 74.41375
271.3727 72.56066
271.8548 70.53267
272.3369 69.59171
272.8190 70.38395
273.3011 70.09264
273.7833 68.01763
274.2654 65.67397
274.7475 63.98425
275.2296 62.92290
275.7117 61.87131
276.1938 60.23047
276.6760 57.94521
277.1581 55.32950
277.6402 51.89968
278.1223 48.65325
278.6044 46.12490
279.0865 44.20829
279.5686 42.44135
280.0508 40.43662
280.5329 38.18686
281.0150 36.23498
281.4971 34.32050
281.9792 32.88281
282.4613 32.29272
282.9435 32.32433
283.4256 32.43824
283.9077 32.26917
284.3898 31.88430
284.8719 31.91332
285.3540 32.88656
285.8362 33.61250
286.3183 33.59155
286.8004 33.12489
287.2825 32.80824
287.7646 32.97136
288.2467 33.40065
288.7289 33.31499
289.2110 32.28654
289.6931 31.38703
290.1752 30.76131
290.6573 30.28410
291.1394 29.96608
291.6216 29.89011
292.1037 29.82294
292.5858 29.11171
293.0679 27.17422
293.5500 25.69733
294.0321 25.14124
294.5143 25.00510
294.9964 24.73544
295.4785 24.16051
295.9606 23.47150
296.4427 22.97942
296.9248 22.78110
297.4070 22.49160
297.8891 22.06257
298.3712 21.55842
298.8533 20.94819
299.3354 20.25446
299.8175 19.69593
300.2997 19.50204
300.7818 19.73751
301.2639 20.08327
301.7460 20.31835
302.2281 20.82610
302.7102 22.01511
303.1924 23.85098
303.6745 25.88419
304.1566 27.78136
304.6387 29.55972
305.1208 31.56004
305.6029 33.77631
306.0851 36.05578
306.5672 38.33594
307.0493 40.61853
307.5314 42.99998
308.0135 45.63010
308.4956 48.32935
308.9778 50.24281
309.4599 50.59589
309.9420 51.29203
310.4241 52.92660
310.9062 55.27025
311.3883 57.91621
311.8705 60.69367
312.3526 63.73904
312.8347 67.29344
313.3168 71.18446
313.7989 75.87478
314.2810 81.59562
314.7632 88.10945
315.2453 95.18389
315.7274 102.7413
316.2095 110.8018
316.6916 119.6906
317.1737 129.8783
317.6559 138.7925
318.1380 146.2617
318.6201 152.3518
319.1022 157.2253
319.5843 160.8948
320.0664 162.9977
320.5485 163.2070
321.0306 161.2927
321.5128 157.7314
321.9949 152.0386
322.4770 145.1632
322.9591 137.1507
323.4412 128.3207
323.9233 119.5934
324.4055 111.4941
324.8876 104.0792
325.3697 97.95604
325.8518 93.60986
326.3339 89.77087
326.8160 85.72873
327.2982 81.83890
327.7803 78.93197
328.2624 77.47671
328.7445 77.02967
329.2266 76.39972
329.7087 75.10742
330.1909 74.49273
330.6730 75.03750
331.1551 76.31921
331.6372 77.85465
332.1193 79.50624
332.6014 81.26085
333.0836 83.08201
333.5657 84.87540
334.0478 87.10240
334.5299 89.64791
335.0120 92.70068
335.4941 96.57025
335.9763 101.2128
336.4584 106.1862
336.9405 110.9953
337.4226 115.6131
337.9047 120.9853
338.3868 127.3950
338.8690 134.2416
339.3511 141.6652
339.8332 149.3603
340.3153 156.4585
340.7974 162.3915
341.2795 167.2946
341.7617 171.8958
342.2438 177.3300
342.7259 181.2000
343.2080 183.4278
343.6901 183.6525
344.1722 181.2030
344.6544 175.8024
345.1365 167.9671
345.6186 158.7215
346.1007 146.9111
346.5828 135.2944
347.0649 123.6833
347.5471 112.4696
348.0292 101.8415
348.5113 91.96227
348.9934 83.01357
349.4755 75.42267
349.9576 69.46249
350.4398 63.75637
350.9219 58.06567
351.4040 52.78841
351.8861 48.39643
352.3682 44.69674
352.8503 41.06096
353.3325 37.03031
353.8146 32.64426
354.2967 28.38695
354.7788 24.06107
355.2609 20.09762
355.7430 16.59265
356.2252 13.51376
356.7073 10.81577
357.1894 8.487778
357.6715 6.478642
358.1536 4.623787
358.6357 2.793667
359.1179 1.365791
359.5999 0.6482700
360.0821 0.1139140
360.5642 0.6286660
361.0463 1.674076
361.5284 2.904011
362.0105 4.267544
362.4926 5.975533
362.9748 6.973557
363.4569 6.883320
363.9390 6.490940
364.4211 5.996609
364.9032 5.472649
365.3853 4.982872
365.8675 4.572578
366.3496 4.238716
366.8317 3.968269
367.3138 4.000023
367.7959 3.772961
368.2780 3.025742
368.7602 2.015919
369.2423 1.110172
369.7244 0.4812010
370.2065 0.1311110
370.6886 1.348927
371.1707 3.583271
371.6529 5.370281
372.1350 6.371788
372.6171 6.994041
373.0992 7.377861
373.5813 7.593605
374.0634 7.834232
374.5456 8.355301
375.0277 9.176971
375.5098 9.813679
375.9919 10.10815
376.4740 10.36674
376.9561 10.70875
377.4383 11.12671
377.9204 11.58393
378.4025 12.05007
378.8846 12.54879
379.3667 13.08226
379.8488 13.50386
380.3310 14.35472
380.8131 16.06477
381.2952 18.20942
381.7773 20.34692
382.2594 22.31900
382.7415 24.49138
383.2237 27.28493
383.7058 30.70124
384.1879 34.36671
384.6700 38.47707
385.1521 42.51101
385.6342 46.02753
386.1164 49.02827
386.5985 51.88360
387.0806 54.96479
387.5627 58.00289
388.0448 60.36147
388.5269 61.93734
389.0091 62.98767
389.4912 63.79480
389.9733 64.20959
390.4554 63.75527
390.9375 62.00232
391.4196 59.64984
391.9018 57.31073
392.3839 54.94790
392.8660 52.25642
393.3481 48.92582
393.8302 45.35369
394.3123 42.29696
394.7945 39.80721
395.2766 37.57071
395.7587 35.52650
396.2408 33.64561
396.7229 31.83211
397.2050 30.02224
397.6872 28.53748
398.1693 27.84001
398.6514 28.02070
399.1335 27.94194
399.6156 27.41872
400.0977 26.70725
400.5798 25.79716
401.0620 24.81728
401.5441 24.23567
402.0262 24.41146
402.5083 25.13542
402.9904 25.44901
403.4725 25.08752
403.9547 24.74917
404.4368 24.52499
404.9189 24.40869
405.4010 24.33619
405.8831 24.29893
406.3652 24.46450
406.8474 25.10728
407.3295 26.41702
407.8116 27.67349
408.2937 28.72038
408.7758 29.85109
409.2579 31.07668
409.7401 32.51574
410.2222 34.43790
410.7043 37.09377
411.1864 40.40919
411.6685 43.80083
412.1506 47.15015
412.6328 50.73660
413.1149 54.59187
413.5970 58.70285
414.0791 63.01111
414.5612 67.50642
415.0433 72.33043
415.5255 77.80077
416.0076 84.19993
416.4897 90.35896
416.9718 95.89651
417.4539 101.4190
417.9360 107.3319
418.4182 113.4968
418.9003 119.3054
419.3824 124.3152
419.8645 128.6355
420.3466 132.8771
420.8287 137.1088
421.3109 141.2707
421.7930 145.4216
422.2751 149.4430
422.7572 153.2814
423.2393 157.0165
423.7214 160.0863
424.2036 161.8226
424.6857 162.2401
425.1678 161.9512
425.6499 161.1075
426.1320 159.5854
426.6141 157.4642
427.0963 154.7258
427.5784 151.0621
428.0605 145.9766
428.5426 140.0332
429.0247 134.1143
429.5068 128.2493
429.9890 122.0526
430.4711 115.2237
430.9532 107.8816
431.4353 100.5980
431.9174 93.49593
432.3995 86.25649
432.8817 78.25398
433.3638 70.07597
433.8459 62.92305
434.3280 57.21856
434.8101 52.52888
435.2922 48.33099
435.7744 44.68329
436.2565 41.45823
436.7386 38.55834
437.2207 36.15272
437.7028 34.46582
438.1849 33.42324
438.6671 32.70668
439.1492 32.08376
439.6313 31.62769
440.1134 31.79758
440.5955 32.86392
441.0776 34.24488
441.5598 36.03832
442.0418 38.03618
442.5240 40.08932
443.0061 42.12497
443.4882 44.09063
443.9703 46.06768
444.4524 48.39156
444.9345 49.15918
445.4167 47.32675
445.8988 44.93987
446.3809 42.77445
446.8630 40.58637
447.3451 37.69327
447.8272 33.64547
448.3094 28.87727
448.7915 24.42202
449.2736 20.26152
449.7557 16.48017
450.2378 12.99117
450.7199 9.945755
451.2021 7.574188
451.6842 5.870907
452.1663 4.438808
452.6484 2.904362
453.1305 1.363060
453.6126 0.3356780
454.0948 4.4590002E-03
454.5769 0.1577530
455.0590 0.4258730
455.5411 0.7443350
456.0232 1.007336
456.5053 1.236740
456.9875 1.339382
457.4696 1.093281
457.9517 0.6056330
458.4338 0.4345280
458.9159 0.8939210
459.3980 1.499916
459.8802 1.440536
460.3623 0.6650920
460.8444 3.0642999E-02
461.3265 0.4304810
461.8086 0.7225990
462.2907 0.9982530
462.7729 1.305744
463.2550 1.783260
463.7371 2.527996
464.2192 3.622856
464.7013 5.122112
465.1834 7.452690
465.6656 9.438671
466.1477 10.57838
466.6298 11.53518
467.1119 13.10450
467.5940 15.42607
468.0761 17.91012
468.5583 19.82863
469.0404 21.08363
469.5225 22.48795
470.0046 24.34584
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