#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:53:33 +0300 (Thu, 07 Jun 2018) $
#$Revision: 994 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000451.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_1000451
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 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            R060183.rod
_rod_data_source.block           3500000
_rod_database.code               1000451
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
142.3323 0.0000000E+00
142.8145 0.9083710
143.2966 0.5540920
143.7787 0.7279360
144.2608 4.296829
144.7429 8.240814
145.2251 11.99034
145.7072 16.27841
146.1893 21.90610
146.6714 29.64561
147.1535 37.27950
147.6356 43.79404
148.1178 48.56543
148.5999 56.11584
149.0820 68.02985
149.5641 81.95889
150.0462 95.06888
150.5283 107.8687
151.0105 119.1347
151.4926 124.9729
151.9747 127.9488
152.4568 130.4624
152.9389 132.2594
153.4210 133.3852
153.9032 134.2681
154.3853 135.7479
154.8674 136.3229
155.3495 135.5255
155.8316 133.1784
156.3138 129.8522
156.7959 126.1462
157.2780 121.5208
157.7601 114.9691
158.2422 104.9083
158.7243 93.84091
159.2065 82.48564
159.6886 69.09845
160.1707 58.63733
160.6528 53.49004
161.1349 52.56070
161.6170 53.82439
162.0992 55.35345
162.5813 58.51651
163.0634 63.14391
163.5455 69.08789
164.0276 75.22726
164.5097 80.01166
164.9919 83.92763
165.4740 88.86163
165.9561 95.72189
166.4382 103.9189
166.9203 113.0422
167.4025 123.6268
167.8846 134.4297
168.3667 145.1948
168.8488 155.8111
169.3309 165.4920
169.8130 176.1239
170.2952 184.9475
170.7773 188.4050
171.2594 183.2776
171.7415 174.0244
172.2236 163.9313
172.7057 152.9783
173.1879 140.8064
173.6700 125.9162
174.1521 109.7458
174.6342 94.68436
175.1163 81.50977
175.5984 69.76276
176.0806 59.38766
176.5627 50.33752
177.0448 41.72246
177.5269 32.23280
178.0090 22.57207
178.4911 14.14481
178.9733 7.764130
179.4554 3.010651
179.9375 0.6385960
180.4196 3.108292
180.9017 5.012772
181.3839 7.189850
181.8660 9.380142
182.3481 10.73878
182.8302 11.07835
183.3123 10.28162
183.7944 7.573715
184.2766 1.713318
184.7587 6.111008
185.2408 14.14775
185.7229 22.00931
186.2050 30.53581
186.6871 41.05768
187.1693 52.69189
187.6514 62.05641
188.1335 69.19801
188.6156 75.49817
189.0977 85.15627
189.5798 98.50601
190.0620 112.7780
190.5441 127.5576
191.0262 142.5392
191.5083 155.6149
191.9904 166.7979
192.4725 176.3208
192.9547 185.2723
193.4368 193.8165
193.9189 199.2618
194.4010 199.3769
194.8831 194.4498
195.3652 188.4075
195.8474 180.8301
196.3295 173.3356
196.8116 169.2284
197.2937 168.6776
197.7758 169.8649
198.2579 171.4785
198.7401 173.4676
199.2222 178.2592
199.7043 186.5621
200.1864 197.2394
200.6685 206.9450
201.1507 215.3486
201.6328 224.2149
202.1149 234.7472
202.5970 247.0999
203.0791 259.5924
203.5612 272.2024
204.0434 284.6471
204.5255 296.3257
205.0076 307.5737
205.4897 316.9398
205.9718 323.3293
206.4539 326.4527
206.9361 328.4666
207.4182 329.7730
207.9003 330.0085
208.3824 327.9704
208.8645 323.4754
209.3466 317.1749
209.8288 309.1577
210.3109 299.0996
210.7930 288.6599
211.2751 277.6597
211.7572 266.4922
212.2393 256.3561
212.7215 247.8325
213.2036 239.2900
213.6857 229.6607
214.1678 218.5914
214.6499 207.4174
215.1321 195.8372
215.6142 184.1574
216.0963 174.2094
216.5784 166.8357
217.0605 159.6620
217.5426 151.1612
218.0248 141.1184
218.5069 130.5827
218.9890 119.2801
219.4711 107.5381
219.9532 96.86880
220.4353 87.74124
220.9175 78.76236
221.3996 68.75739
221.8817 57.06198
222.3638 46.30240
222.8459 36.84872
223.3280 28.49513
223.8102 20.94710
224.2923 14.18811
224.7744 8.045853
225.2565 2.408051
225.7386 2.903580
226.2208 7.268890
226.7029 10.56496
227.1850 12.86369
227.6671 14.29358
228.1492 14.51422
228.6313 14.35342
229.1135 14.23787
229.5956 13.98056
230.0777 14.27133
230.5598 15.74983
231.0419 17.90060
231.5240 18.08084
232.0062 15.29965
232.4883 11.89639
232.9704 9.391876
233.4525 8.734619
233.9346 6.797592
234.4167 2.596176
234.8989 3.151108
235.3810 6.836334
235.8631 6.914764
236.3452 7.020905
236.8273 9.356201
237.3095 15.06311
237.7916 20.47737
238.2737 25.49184
238.7558 30.02748
239.2379 33.61122
239.7200 35.69078
240.2022 37.61487
240.6843 40.17302
241.1664 43.66995
241.6485 47.50989
242.1306 52.00093
242.6127 56.80508
243.0949 60.97725
243.5770 64.30157
244.0591 67.32285
244.5412 70.32932
245.0233 73.62613
245.5054 76.23047
245.9876 77.64194
246.4697 78.40997
246.9518 80.37553
247.4339 84.09814
247.9160 88.20343
248.3981 91.94205
248.8803 94.93307
249.3624 98.56158
249.8445 103.1577
250.3266 108.3235
250.8087 112.8993
251.2909 116.2861
251.7730 119.9713
252.2551 124.7820
252.7372 131.7130
253.2193 137.2567
253.7014 141.0257
254.1836 143.5338
254.6657 145.9884
255.1478 148.8642
255.6299 150.8522
256.1120 151.2423
256.5941 149.3983
257.0763 147.9696
257.5584 147.0122
258.0405 146.4247
258.5226 145.9666
259.0047 145.4601
259.4868 145.4452
259.9690 146.1606
260.4511 147.6975
260.9332 149.5438
261.4153 151.7021
261.8974 154.1899
262.3795 157.0737
262.8617 160.5897
263.3438 163.9840
263.8259 166.9424
264.3080 169.3275
264.7901 172.1944
265.2722 175.7186
265.7544 179.5086
266.2365 183.0180
266.7186 186.3013
267.2007 189.1176
267.6829 191.3906
268.1650 193.1513
268.6471 194.3241
269.1292 195.0575
269.6113 195.0179
270.0934 193.3988
270.5756 189.5502
271.0577 186.6746
271.5398 186.3458
272.0219 188.4168
272.5040 187.4050
272.9861 182.6058
273.4683 176.3101
273.9504 171.0224
274.4325 167.1271
274.9146 162.1733
275.3967 155.3447
275.8788 146.8426
276.3610 138.5467
276.8431 130.3728
277.3252 122.8987
277.8073 116.8163
278.2894 112.2071
278.7715 108.1189
279.2537 104.4694
279.7358 101.1473
280.2179 97.26343
280.7000 92.48750
281.1821 88.60837
281.6642 87.32965
282.1464 88.66306
282.6285 90.12532
283.1106 91.00060
283.5927 91.67732
284.0748 93.93771
284.5569 98.00534
285.0391 102.4934
285.5212 106.2739
286.0033 109.5459
286.4854 113.9095
286.9675 119.7139
287.4496 126.4558
287.9318 132.8762
288.4139 138.9541
288.8960 145.6978
289.3781 154.5211
289.8602 165.1719
290.3424 175.5515
290.8245 185.4766
291.3066 194.8242
291.7887 203.2064
292.2708 210.9155
292.7530 219.0345
293.2351 227.6444
293.7172 236.7823
294.1993 246.7320
294.6814 257.7700
295.1635 268.7227
295.6457 277.8144
296.1278 285.3855
296.6099 292.7768
297.0920 300.5279
297.5741 308.4163
298.0562 315.8493
298.5384 322.7284
299.0205 329.4517
299.5026 336.8354
299.9847 344.3698
300.4668 350.9289
300.9489 355.2510
301.4311 358.6565
301.9132 362.9707
302.3953 368.1929
302.8774 373.2888
303.3595 378.0671
303.8416 382.1715
304.3238 385.2800
304.8059 387.7199
305.2880 388.3240
305.7701 386.1738
306.2522 381.2083
306.7343 373.2099
307.2165 361.2150
307.6986 346.1836
308.1807 329.0810
308.6628 309.0869
309.1449 288.4023
309.6270 268.1666
310.1092 248.1572
310.5913 228.4233
311.0734 206.4009
311.5555 186.0134
312.0376 171.6225
312.5197 165.5309
313.0019 161.1012
313.4840 154.0884
313.9661 145.9332
314.4482 139.6505
314.9304 137.3051
315.4125 136.6058
315.8946 136.3601
316.3767 136.4772
316.8588 136.8065
317.3409 137.9226
317.8231 139.0560
318.3052 139.1920
318.7873 138.4711
319.2694 136.3027
319.7515 131.9957
320.2336 125.3818
320.7158 118.7702
321.1979 113.1026
321.6800 107.6465
322.1621 101.7625
322.6442 94.00250
323.1263 87.15872
323.6085 81.80914
324.0906 77.94823
324.5727 75.25490
325.0548 73.71353
325.5369 73.33820
326.0190 74.14832
326.5012 76.61194
326.9833 79.73112
327.4654 83.81578
327.9475 88.60411
328.4296 92.97202
328.9117 95.76727
329.3939 99.15723
329.8760 104.1355
330.3581 111.9082
330.8402 119.0638
331.3223 125.3542
331.8044 131.1260
332.2866 137.0084
332.7687 142.3394
333.2508 148.6432
333.7329 156.4036
334.2150 165.7098
334.6971 176.3328
335.1793 189.0258
335.6614 202.4324
336.1435 214.3421
336.6256 223.7783
337.1077 234.6891
337.5899 248.4532
338.0720 265.0133
338.5541 279.2953
339.0362 290.7460
339.5183 301.4593
340.0005 313.5051
340.4826 327.3718
340.9647 339.9843
341.4468 350.8924
341.9289 360.1480
342.4110 368.6290
342.8932 376.5983
343.3753 381.6022
343.8574 381.1392
344.3395 375.4677
344.8216 368.7610
345.3037 361.2469
345.7859 353.1938
346.2680 344.8016
346.7501 336.0440
347.2322 327.8268
347.7143 320.3988
348.1964 313.8138
348.6786 308.3924
349.1607 304.2146
349.6428 300.3626
350.1249 296.3418
350.6070 291.8658
351.0891 285.9112
351.5713 278.4489
352.0534 269.1805
352.5355 257.8357
353.0176 244.5084
353.4997 228.1010
353.9818 205.6191
354.4640 180.0966
354.9461 155.7431
355.4282 133.6319
355.9103 113.6261
356.3924 95.84273
356.8745 80.07063
357.3567 65.88626
357.8388 52.75854
358.3209 41.12682
358.8030 31.42940
359.2851 24.25816
359.7672 17.83490
360.2494 11.18765
360.7315 4.597839
361.2136 1.308044
361.6957 6.994339
362.1779 11.45781
362.6600 13.70219
363.1421 13.33244
363.6242 13.40585
364.1063 15.59149
364.5884 18.37552
365.0706 20.18854
365.5527 20.04065
366.0348 19.60207
366.5169 19.47649
366.9990 19.59871
367.4811 18.74294
367.9633 15.89578
368.4454 12.64648
368.9275 9.915970
369.4096 8.358551
369.8917 6.454758
370.3738 4.240280
370.8560 1.649399
371.3381 1.518448
371.8202 5.919922
372.3023 10.04779
372.7844 13.16005
373.2665 14.83357
373.7487 17.16617
374.2308 20.25093
374.7129 23.90233
375.1950 28.02808
375.6771 32.84297
376.1592 37.47816
376.6414 41.68349
377.1235 45.50351
377.6056 49.43422
378.0877 53.40672
378.5698 57.82011
379.0519 63.27086
379.5341 69.72237
380.0162 76.09950
380.4983 82.05869
380.9804 87.99524
381.4625 94.46893
381.9446 101.5543
382.4268 109.1338
382.9089 117.5004
383.3910 126.3510
383.8731 134.9900
384.3553 143.3083
384.8374 151.4467
385.3195 159.6078
385.8016 167.6979
386.2837 175.6013
386.7658 183.7953
387.2480 191.4067
387.7301 197.4065
388.2122 201.7790
388.6943 204.9942
389.1764 207.4262
389.6585 208.8786
390.1407 209.0491
390.6228 207.8597
391.1049 205.3736
391.5870 201.8271
392.0691 197.0609
392.5512 190.5926
393.0334 180.5708
393.5155 169.9124
393.9976 160.6342
394.4797 153.5036
394.9618 146.1191
395.4439 137.1227
395.9261 127.6244
396.4082 119.1353
396.8903 112.1605
397.3724 105.8328
397.8545 99.37419
398.3366 92.66814
398.8188 88.07010
399.3009 87.04424
399.7830 87.43311
400.2651 87.80579
400.7472 87.60071
401.2293 88.14026
401.7115 89.78296
402.1936 92.24577
402.6757 94.57343
403.1578 96.44742
403.6399 98.61906
404.1220 101.4215
404.6042 104.8668
405.0863 108.9950
405.5684 113.7343
406.0505 119.1949
406.5326 125.6382
407.0147 133.1926
407.4969 140.8767
407.9790 148.1239
408.4611 155.4163
408.9432 164.8913
409.4254 176.6171
409.9075 189.4062
410.3896 202.3671
410.8717 215.6626
411.3538 230.1606
411.8359 245.9940
412.3181 262.6670
412.8002 279.7881
413.2823 297.0092
413.7644 314.1966
414.2465 331.3952
414.7286 348.3518
415.2108 365.6422
415.6929 383.1977
416.1750 398.8834
416.6571 411.5227
417.1392 421.0357
417.6213 427.7477
418.1035 431.7337
418.5856 432.8369
419.0677 429.4564
419.5498 422.3571
420.0319 415.4785
420.5140 410.0151
420.9962 405.8746
421.4783 403.0231
421.9604 401.7582
422.4425 400.4431
422.9246 399.0256
423.4067 397.4928
423.8889 395.6681
424.3710 393.7903
424.8531 391.2882
425.3352 388.3680
425.8173 385.1826
426.2994 380.6169
426.7816 374.1817
427.2637 366.7508
427.7458 359.2039
428.2279 352.5263
428.7100 343.0270
429.1921 329.9243
429.6743 314.1709
430.1564 298.8583
430.6385 284.3480
431.1206 268.8584
431.6028 251.1717
432.0849 231.2924
432.5670 212.7820
433.0491 195.5114
433.5312 179.9317
434.0133 166.4218
434.4955 154.8889
434.9776 144.7216
435.4597 135.8311
435.9418 128.1529
436.4239 121.7373
436.9060 116.6306
437.3882 112.7489
437.8703 110.2707
438.3524 108.9171
438.8345 108.1787
439.3166 107.9223
439.7987 108.8127
440.2809 112.0758
440.7630 116.7131
441.2451 121.1349
441.7272 125.5132
442.2093 128.8035
442.6914 130.3493
443.1736 130.2436
443.6557 129.1407
444.1378 128.0304
444.6199 125.4789
445.1020 120.5471
445.5841 112.6228
446.0663 103.3381
446.5484 91.95705
447.0305 79.54387
447.5126 67.78104
447.9947 56.76852
448.4768 46.48657
448.9590 36.78592
449.4411 27.69691
449.9232 19.92480
450.4053 13.49121
450.8874 8.222427
451.3695 4.174728
451.8517 1.508118
452.3338 0.7778780
452.8159 2.781021
453.2980 4.407059
453.7801 5.489822
454.2622 6.016037
454.7444 6.045563
455.2265 5.237320
455.7086 3.903336
456.1907 3.608978
456.6729 4.432602
457.1550 5.259811
457.6371 4.860016
458.1192 3.682846
458.6013 2.878281
459.0834 2.944138
459.5656 3.081482
460.0477 2.428329
460.5298 1.130798
461.0119 0.3447720
461.4940 1.674805
461.9761 3.168594
462.4583 4.993805
462.9404 7.174332
463.4225 9.944870
463.9046 13.97485
464.3867 18.52783
464.8688 22.79097
465.3510 25.78729
465.8331 29.33131
466.3152 33.57414
466.7973 38.45435
467.2794 43.99710
467.7615 51.29382
468.2437 58.40927
468.7258 64.81889
469.2079 70.47231
469.6900 75.20833
470.1721 78.81439
470.6542 81.60359
471.1364 83.76791
471.6185 85.10429
472.1006 86.87959
472.5827 89.44684
473.0648 92.52740
473.5469 95.10631
474.0291 97.11778
474.5112 99.38307
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