#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:42:08 +0300 (Thu, 07 Jun 2018) $
#$Revision: 936 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000407.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_1000407
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        R060558
_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            R060558.rod
_rod_data_source.block           3500000
_rod_database.code               1000407
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
130.682 0.000
131.164 29.077
131.646 45.385
132.128 54.233
132.610 41.482
133.093 14.856
133.575 16.765
134.057 11.542
134.539 19.726
135.021 76.736
135.503 154.877
135.985 249.764
136.467 362.021
136.949 488.532
137.432 627.343
137.914 779.916
138.396 957.130
138.878 1168.275
139.360 1378.238
139.842 1549.969
140.324 1679.023
140.806 1779.296
141.288 1855.024
141.771 1907.829
142.253 1926.536
142.735 1904.991
143.217 1853.456
143.699 1789.764
144.181 1711.403
144.663 1628.036
145.145 1535.976
145.628 1411.599
146.110 1325.687
146.592 1295.843
147.074 1306.048
147.556 1297.517
148.038 1224.138
148.520 1172.709
149.002 1187.764
149.484 1320.338
149.967 1455.761
150.449 1605.685
150.931 1768.394
151.413 1874.134
151.895 1901.903
152.377 1884.803
152.859 1845.664
153.342 1771.787
153.824 1690.956
154.306 1601.991
154.788 1501.715
155.270 1421.598
155.752 1373.142
156.234 1355.863
156.716 1364.030
157.198 1378.590
157.680 1407.383
158.163 1449.896
158.645 1520.548
159.127 1573.339
159.609 1561.400
160.091 1527.970
160.573 1519.166
161.055 1550.501
161.538 1609.081
162.020 1691.001
162.502 1809.821
162.984 1926.687
163.466 2005.548
163.948 2063.932
164.430 2160.213
164.912 2335.305
165.394 2551.812
165.876 2778.180
166.359 2995.075
166.841 3229.965
167.323 3502.192
167.805 3809.386
168.287 4133.425
168.769 4530.613
169.251 4916.682
169.733 5193.572
170.216 5318.456
170.698 5325.006
171.180 5216.663
171.662 4990.891
172.144 4722.258
172.626 4445.768
173.108 4165.737
173.590 3884.676
174.072 3608.751
174.555 3331.160
175.037 3037.973
175.519 2726.377
176.001 2408.446
176.483 2006.895
176.965 1586.270
177.447 1356.241
177.929 1180.062
178.412 1003.840
178.894 827.648
179.376 651.457
179.858 476.042
180.340 318.480
180.822 172.351
181.304 34.883
181.786 65.559
182.268 84.921
182.751 56.258
183.233 65.997
183.715 90.897
184.197 88.209
184.679 40.569
185.161 13.944
185.643 15.867
186.125 17.404
186.607 48.650
187.090 57.421
187.572 28.252
188.054 23.226
188.536 93.796
189.018 189.728
189.500 306.631
189.982 444.345
190.464 619.489
190.947 836.121
191.429 1093.191
191.911 1402.205
192.393 1775.702
192.875 2142.401
193.357 2448.540
193.839 2689.725
194.321 2816.483
194.803 2788.819
195.286 2615.887
195.768 2387.856
196.250 2083.427
196.732 1775.996
197.214 1571.046
197.696 1474.501
198.178 1434.479
198.661 1434.712
199.143 1475.435
199.625 1535.580
200.107 1611.781
200.589 1712.245
201.071 1864.289
201.553 2078.980
202.035 2295.619
202.517 2480.443
202.999 2629.524
203.482 2786.363
203.964 2952.978
204.446 3129.453
204.928 3318.604
205.410 3523.594
205.892 3731.327
206.374 3935.110
206.857 4138.654
207.339 4321.320
207.821 4479.201
208.303 4614.568
208.785 4736.351
209.267 4843.400
209.749 4940.418
210.231 5035.575
210.713 5136.862
211.195 5207.029
211.678 5237.457
212.160 5231.448
212.642 5214.237
213.124 5187.711
213.606 5147.392
214.088 5091.057
214.570 5020.236
215.052 4926.909
215.535 4805.650
216.017 4656.408
216.499 4504.419
216.981 4354.556
217.463 4193.498
217.945 4002.037
218.427 3771.244
218.909 3540.168
219.391 3318.939
219.874 3106.667
220.356 2901.290
220.838 2713.089
221.320 2522.802
221.802 2304.745
222.284 2040.004
222.766 1790.113
223.248 1574.738
223.731 1395.392
224.213 1230.141
224.695 1080.784
225.177 943.131
225.659 807.838
226.141 672.928
226.623 545.907
227.105 430.335
227.587 329.184
228.070 226.551
228.552 117.859
229.034 10.840
229.516 77.990
229.998 141.199
230.480 169.479
230.962 112.067
231.444 45.744
231.926 5.174
232.409 36.265
232.891 53.508
233.373 69.266
233.855 84.750
234.337 96.695
234.819 104.672
235.301 111.187
235.783 107.704
236.266 94.884
236.748 71.824
237.230 36.385
237.712 13.018
238.194 73.675
238.676 147.291
239.158 191.604
239.640 120.960
240.122 79.336
240.605 60.268
241.087 51.648
241.569 55.985
242.051 66.659
242.533 80.917
243.015 103.281
243.497 119.125
243.980 131.324
244.462 136.960
244.944 123.588
245.426 81.406
245.908 27.549
246.390 24.989
246.872 64.697
247.354 122.404
247.836 204.502
248.318 305.271
248.801 399.352
249.283 476.391
249.765 561.075
250.247 669.970
250.729 813.675
251.211 955.575
251.693 1095.583
252.176 1231.698
252.658 1351.605
253.140 1454.839
253.622 1543.346
254.104 1622.000
254.586 1698.756
255.068 1743.222
255.550 1742.148
256.032 1705.908
256.514 1683.989
256.997 1679.696
257.479 1684.763
257.961 1691.480
258.443 1691.466
258.925 1714.289
259.407 1759.962
259.889 1830.025
260.371 1938.262
260.854 2095.271
261.336 2273.182
261.818 2455.298
262.300 2636.407
262.782 2833.061
263.264 3042.786
263.746 3269.998
264.228 3528.395
264.711 3827.626
265.193 4143.391
265.675 4468.043
266.157 4805.396
266.639 5128.983
267.121 5430.502
267.603 5711.472
268.085 5981.094
268.567 6238.662
269.050 6481.576
269.532 6712.466
270.014 6939.516
270.496 7114.957
270.978 7226.273
271.460 7280.653
271.942 7302.726
272.424 7290.544
272.906 7251.436
273.389 7194.718
273.871 7125.024
274.353 7006.930
274.835 6826.816
275.317 6599.920
275.799 6379.971
276.281 6172.193
276.763 5956.732
277.246 5717.698
277.728 5454.792
278.210 5183.609
278.692 4910.720
279.174 4631.007
279.656 4310.212
280.138 3939.795
280.620 3570.366
281.103 3233.059
281.585 2927.842
282.067 2657.277
282.549 2421.370
283.031 2220.989
283.513 2051.081
283.995 1911.106
284.477 1806.802
284.959 1749.654
285.441 1737.484
285.924 1738.197
286.406 1746.579
286.888 1765.720
287.370 1800.594
287.852 1853.103
288.334 1913.990
288.816 1974.658
289.298 2038.658
289.781 2129.044
290.263 2244.159
290.745 2392.489
291.227 2611.163
291.709 2898.485
292.191 3166.563
292.673 3333.360
293.155 3430.581
293.638 3577.979
294.120 3801.521
294.602 4058.552
295.084 4284.058
295.566 4479.758
296.048 4671.311
296.530 4887.232
297.012 5115.641
297.494 5325.744
297.977 5518.104
298.459 5678.067
298.941 5780.681
299.423 5833.078
299.905 5864.158
300.387 5895.288
300.869 5914.987
301.351 5905.435
301.833 5863.110
302.316 5795.810
302.798 5705.525
303.280 5597.984
303.762 5484.011
304.244 5350.092
304.726 5217.405
305.208 5123.564
305.690 5080.288
306.172 5038.396
306.655 4955.334
307.137 4841.719
307.619 4721.712
308.101 4605.728
308.583 4483.186
309.065 4341.182
309.547 4173.613
310.030 4013.692
310.512 3879.466
310.994 3768.539
311.476 3676.841
311.958 3585.351
312.440 3525.176
312.922 3518.336
313.404 3568.251
313.886 3653.068
314.369 3764.542
314.851 3904.076
315.333 4070.594
315.815 4275.583
316.297 4498.694
316.779 4745.266
317.261 5015.514
317.743 5254.638
318.225 5471.557
318.708 5633.946
319.190 5707.441
319.672 5653.303
320.154 5539.794
320.636 5393.262
321.118 5210.930
321.600 4955.592
322.082 4566.619
322.565 4126.861
323.047 3706.978
323.529 3306.818
324.011 2935.166
324.493 2589.449
324.975 2270.851
325.457 1992.647
325.939 1758.958
326.422 1564.272
326.904 1404.670
327.386 1302.673
327.868 1211.878
328.350 1127.259
328.832 1050.612
329.314 991.375
329.796 954.809
330.278 930.853
330.760 916.203
331.243 923.023
331.725 918.283
332.207 895.287
332.689 860.882
333.171 834.396
333.653 810.206
334.135 801.833
334.617 815.898
335.100 856.336
335.582 907.601
336.064 965.094
336.546 1036.426
337.028 1135.976
337.510 1262.951
337.992 1417.560
338.474 1600.550
338.957 1811.273
339.439 2046.747
339.921 2299.778
340.403 2588.358
340.885 2938.329
341.367 3357.191
341.849 3803.852
342.331 4284.070
342.813 4789.287
343.296 5271.304
343.778 5738.940
344.260 6143.428
344.742 6430.085
345.224 6601.834
345.706 6660.399
346.188 6589.835
346.670 6413.100
347.152 6175.702
347.635 5875.189
348.117 5569.363
348.599 5291.778
349.081 5046.179
349.563 4857.133
350.045 4739.102
350.527 4670.153
351.009 4637.258
351.491 4635.053
351.974 4624.583
352.456 4590.236
352.938 4526.051
353.420 4422.556
353.902 4278.865
354.384 4094.091
354.866 3861.549
355.349 3588.264
355.831 3289.441
356.313 2954.396
356.795 2608.835
357.277 2274.836
357.759 1948.862
358.241 1646.708
358.723 1377.018
359.205 1138.701
359.688 924.063
360.170 730.277
360.652 559.336
361.134 414.801
361.616 298.557
362.098 196.467
362.580 105.335
363.062 24.997
363.544 46.213
364.027 101.121
364.509 154.270
364.991 214.196
365.473 154.005
365.955 94.913
366.437 55.828
366.919 31.090
367.401 16.796
367.884 15.926
368.366 21.125
368.848 21.641
369.330 22.066
369.812 22.402
370.294 22.649
370.776 22.808
371.258 22.881
371.741 22.870
372.223 22.774
372.705 22.595
373.187 22.334
373.669 21.990
374.151 53.389
374.633 87.062
375.115 93.210
375.597 61.971
376.079 53.871
376.562 74.688
377.044 110.440
377.526 137.516
378.008 148.961
378.490 122.574
378.972 81.422
379.454 28.013
379.936 18.732
380.419 55.578
380.901 99.594
381.383 168.821
381.865 262.447
382.347 368.677
382.829 486.263
383.311 614.368
383.793 746.182
384.276 882.058
384.758 1042.352
385.240 1250.467
385.722 1492.006
386.204 1741.326
386.686 1994.139
387.168 2246.994
387.650 2510.053
388.132 2776.808
388.615 3027.496
389.097 3263.607
389.579 3473.690
390.061 3653.318
390.543 3807.682
391.025 3905.356
391.507 3917.886
391.989 3861.868
392.471 3764.845
392.954 3629.459
393.436 3461.673
393.918 3254.088
394.400 3004.162
394.882 2757.953
395.364 2526.884
395.846 2311.359
396.328 2109.959
396.810 1919.288
397.293 1748.443
397.775 1598.492
398.257 1469.493
398.739 1361.740
399.221 1281.901
399.703 1220.032
400.185 1172.794
400.668 1144.785
401.150 1120.963
401.632 1104.057
402.114 1095.459
402.596 1091.225
403.078 1089.899
403.560 1095.628
404.042 1111.303
404.524 1138.553
405.007 1164.437
405.489 1187.505
405.971 1211.542
406.453 1239.354
406.935 1270.095
407.417 1313.725
407.899 1373.301
408.381 1447.505
408.863 1529.976
409.346 1620.662
409.828 1725.294
410.310 1843.826
410.792 1980.362
411.274 2150.199
411.756 2354.325
412.238 2592.358
412.720 2853.193
413.203 3140.090
413.685 3484.357
414.167 3908.675
414.649 4401.816
415.131 4959.305
415.613 5595.973
416.095 6246.149
416.577 6951.651
417.060 7627.821
417.542 8137.434
418.024 8439.571
418.506 8533.375
418.988 8358.481
419.470 7915.637
419.952 7431.236
420.434 6925.228
420.916 6454.116
421.398 6056.381
421.881 5744.048
422.363 5507.043
422.845 5352.934
423.327 5280.433
423.809 5267.097
424.291 5316.425
424.773 5419.974
425.255 5577.017
425.738 5808.286
426.220 6047.557
426.702 6287.571
427.184 6536.072
427.666 6819.981
428.148 7167.200
428.630 7491.890
429.112 7776.673
429.595 8023.917
430.077 8208.715
430.559 8336.290
431.041 8389.009
431.523 8355.244
432.005 8234.860
432.487 8017.334
432.969 7689.366
433.451 7274.119
433.934 6810.082
434.416 6297.909
434.898 5780.911
435.380 5270.997
435.862 4778.204
436.344 4331.398
436.826 3933.888
437.308 3581.143
437.790 3261.651
438.273 2978.208
438.755 2748.604
439.237 2573.728
439.719 2457.742
440.201 2418.926
440.683 2454.790
441.165 2512.539
441.647 2551.920
442.129 2602.535
442.612 2694.365
443.094 2863.117
443.576 3036.540
444.058 3218.743
444.540 3390.382
445.022 3495.785
445.504 3536.459
445.987 3496.121
446.469 3358.187
446.951 3087.648
447.433 2808.810
447.915 2515.395
448.397 2222.058
448.879 1946.108
449.361 1680.159
449.843 1444.088
450.326 1242.723
450.808 1075.052
451.290 919.591
451.772 773.066
452.254 643.324
452.736 540.768
453.218 466.454
453.700 396.431
454.182 328.488
454.665 264.370
455.147 212.099
455.629 170.574
456.111 129.898
456.593 78.310
457.075 24.655
457.557 2.349
458.039 1.223
458.522 3.931
459.004 30.074
459.486 65.583
459.968 53.278
460.450 52.835
460.932 49.499
461.414 43.420
461.896 26.424
462.379 23.461
462.861 14.818
463.343 5.893
463.825 4.760
464.307 11.150
464.789 15.245
465.271 17.049
465.753 12.892
466.235 10.595
466.717 16.694
467.200 15.268
467.682 0.372
468.164 27.596
468.646 45.769
469.128 34.916
469.610 23.167
470.092 2.390
470.574 31.319
471.057 62.348
471.539 87.429
472.021 111.927
472.503 149.224
472.985 201.495
473.467 252.240
473.949 290.613
474.431 319.655
474.914 351.581
475.396 385.788
475.878 432.804
476.360 512.547
476.842 614.191
477.324 704.058
477.806 765.969
478.288 826.048
478.770 910.787
479.253 1019.060
479.735 1146.918
480.217 1293.310
480.699 1457.848
481.181 1642.654
481.663 1847.540
482.145 2065.215
482.627 2297.170
483.109 2536.029
483.592 2772.860
484.074 3022.701
484.556 3251.589
485.038 3485.271
485.520 3709.047
486.002 3812.543
486.484 3771.301
486.966 3632.703
487.448 3406.667
487.931 3060.307
488.413 2711.581
488.895 2345.766
489.377 1989.045
489.859 1683.734
490.341 1431.221
490.823 1210.643
491.306 1016.550
491.788 849.011
492.270 721.432
492.752 634.462
493.234 563.927
493.716 492.093
494.198 421.844
494.680 365.919
495.162 325.224
495.645 297.715
496.127 284.309
496.609 282.037
497.091 283.778
497.573 284.405
498.055 289.203
498.537 303.729
499.019 327.358
499.501 352.574
499.984 369.147
500.466 389.965
500.948 425.929
501.430 495.982
501.912 553.891
502.394 580.875
502.876 591.267
503.358 612.831
503.841 649.694
504.323 692.702
504.805 740.081
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