#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:41:15 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1227 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000639.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_1000639
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        R060194
_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            R060194.rod
_rod_data_source.block           3500000
_rod_database.code               1000639
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
134.7355 0.0000000E+00
135.2177 0.2674560
135.6998 0.4607540
136.1819 0.7470090
136.6640 9.1063999E-02
137.1461 3.811157
137.6282 13.84320
138.1104 30.37402
138.5925 44.83557
139.0746 57.34662
139.5567 67.09454
140.0388 72.77637
140.5209 74.71356
141.0031 74.66443
141.4852 74.87878
141.9673 75.93781
142.4494 75.38519
142.9315 72.49683
143.4136 68.68451
143.8958 63.21045
144.3779 56.43353
144.8600 51.47137
145.3421 53.48596
145.8242 65.09064
146.3063 79.89386
146.7885 97.54016
147.2706 119.0522
147.7527 144.8699
148.2348 174.7056
148.7169 208.6889
149.1990 250.1795
149.6812 300.5933
150.1633 351.2552
150.6454 404.7448
151.1275 457.2637
151.6096 494.9843
152.0917 509.0784
152.5739 508.1527
153.0560 506.8235
153.5381 503.6060
154.0202 504.6971
154.5023 517.4337
154.9844 542.3159
155.4665 566.3369
155.9487 588.4415
156.4308 605.1373
156.9129 613.2844
157.3950 612.0996
157.8771 602.3339
158.3592 583.1396
158.8414 552.1801
159.3235 530.6857
159.8056 516.8294
160.2877 507.5887
160.7698 501.3962
161.2519 494.9922
161.7341 488.2500
162.2162 486.8190
162.6983 498.7093
163.1804 516.8375
163.6625 537.4976
164.1446 563.5360
164.6268 598.1027
165.1089 643.1634
165.5910 698.2626
166.0731 762.4156
166.5552 835.7807
167.0373 917.9346
167.5195 1016.147
168.0016 1123.452
168.4837 1230.905
168.9658 1335.467
169.4479 1434.822
169.9300 1490.837
170.4122 1501.626
170.8943 1482.110
171.3764 1431.906
171.8585 1354.729
172.3406 1261.819
172.8227 1157.165
173.3049 1042.734
173.7870 935.0804
174.2691 832.6579
174.7512 737.2802
175.2333 651.7525
175.7154 576.0813
176.1976 505.7365
176.6797 437.0309
177.1618 371.4120
177.6439 314.9021
178.1260 272.5798
178.6081 238.5361
179.0903 203.3129
179.5724 165.6139
180.0545 131.1661
180.5366 105.5420
181.0187 85.15979
181.5008 64.88184
181.9830 41.21423
182.4651 16.48248
182.9472 2.474609
183.4293 16.50580
183.9114 24.66428
184.3935 28.76389
184.8757 30.54361
185.3578 30.91696
185.8399 31.69809
186.3220 33.96136
186.8041 35.28430
187.2862 33.72916
187.7684 29.55591
188.2505 22.97128
188.7326 14.00562
189.2147 2.719482
189.6968 10.63531
190.1789 26.06421
190.6611 45.34106
191.1432 69.38843
191.6253 96.52100
192.1074 128.6232
192.5895 164.3183
193.0716 199.7111
193.5538 232.6983
194.0359 264.7129
194.5180 281.2062
195.0001 277.1567
195.4822 266.2863
195.9643 252.4542
196.4465 237.0892
196.9286 221.4733
197.4107 206.2009
197.8928 190.9500
198.3749 182.8138
198.8570 181.6360
199.3392 186.7802
199.8213 199.4933
200.3034 219.3629
200.7855 242.0616
201.2676 263.6780
201.7497 284.2734
202.2319 307.8817
202.7140 333.1726
203.1961 362.4373
203.6782 399.2842
204.1603 444.5172
204.6424 491.6108
205.1246 534.3699
205.6067 574.1066
206.0888 616.4738
206.5709 666.1505
207.0530 717.7273
207.5351 763.7156
208.0173 803.2896
208.4994 839.2872
208.9815 875.9613
209.4636 911.1796
209.9457 938.7835
210.4278 955.2314
210.9100 962.7624
211.3921 967.1270
211.8742 970.5063
212.3563 965.3998
212.8384 945.4041
213.3205 915.0493
213.8027 881.7608
214.2848 849.3273
214.7669 816.8587
215.2490 781.5392
215.7311 741.8226
216.2132 701.2537
216.6954 660.8453
217.1775 620.7900
217.6596 581.2206
218.1417 542.0816
218.6238 503.4949
219.1059 466.5660
219.5881 431.3275
220.0702 398.3423
220.5523 368.4144
221.0344 340.6718
221.5165 313.7139
221.9986 286.9376
222.4808 260.2425
222.9629 232.5231
223.4450 199.4315
223.9271 170.3679
224.4092 148.5721
224.8913 131.9387
225.3735 116.9138
225.8556 101.0419
226.3377 84.61206
226.8198 69.89636
227.3019 57.32520
227.7840 46.21069
228.2662 37.82031
228.7483 30.73114
229.2304 22.15491
229.7125 9.882141
230.1946 5.313538
230.6767 14.49756
231.1589 11.57843
231.6410 9.845398
232.1231 14.33270
232.6052 22.33630
233.0873 28.11548
233.5694 27.93484
234.0516 22.83722
234.5337 20.39441
235.0158 22.28137
235.4979 24.37231
235.9800 26.60135
236.4621 28.15677
236.9443 27.39285
237.4264 23.29218
237.9085 16.25525
238.3906 8.070374
238.8727 2.729248
239.3548 12.78821
239.8370 19.61719
240.3191 24.66528
240.8012 30.64484
241.2833 39.17004
241.7654 50.16797
242.2475 62.64423
242.7297 76.99512
243.2118 92.21820
243.6939 109.3796
244.1760 127.1586
244.6581 141.4162
245.1402 149.5168
245.6224 154.6538
246.1045 163.5806
246.5866 177.7238
247.0687 191.9607
247.5508 204.2236
248.0329 214.2219
248.5151 221.2510
248.9972 223.5362
249.4793 224.8750
249.9614 230.8322
250.4435 241.8799
250.9256 253.8828
251.4078 265.9018
251.8899 277.3739
252.3720 285.8959
252.8541 289.5676
253.3362 291.4818
253.8183 295.9954
254.3005 303.1136
254.7826 307.9380
255.2647 306.3922
255.7468 299.5698
256.2289 293.0482
256.7110 288.1263
257.1931 283.1989
257.6753 276.0904
258.1574 267.3320
258.6395 260.3182
259.1216 256.2861
259.6037 255.4799
260.0858 259.9479
260.5680 273.3914
261.0501 287.6302
261.5322 295.3272
262.0143 299.0510
262.4964 306.6256
262.9785 324.5036
263.4607 351.0344
263.9428 377.0674
264.4249 402.0596
264.9070 427.1147
265.3891 451.2136
265.8712 475.7598
266.3534 503.6314
266.8355 537.9293
267.3176 576.7105
267.7997 611.7492
268.2818 640.5314
268.7639 669.3082
269.2461 700.9394
269.7282 733.9263
270.2103 766.6099
270.6924 798.9061
271.1745 829.4351
271.6566 853.3107
272.1388 869.9044
272.6209 879.6888
273.1030 882.7301
273.5851 880.4672
274.0672 874.4402
274.5493 865.3401
275.0315 852.8465
275.5136 836.2313
275.9957 815.0038
276.4778 789.9355
276.9599 760.7484
277.4420 728.8607
277.9242 695.1678
278.4063 659.8615
278.8884 623.7548
279.3705 588.0296
279.8526 553.3969
280.3347 517.9117
280.8169 478.5306
281.2990 440.2057
281.7811 406.5675
282.2632 378.5451
282.7453 354.9565
283.2274 334.2910
283.7096 316.9445
284.1917 301.8213
284.6738 287.2823
285.1559 275.7487
285.6380 269.2158
286.1201 267.6129
286.6023 268.8719
287.0844 270.1245
287.5665 269.6959
288.0486 276.0511
288.5307 292.1249
289.0128 311.8969
289.4950 333.6196
289.9771 356.1835
290.4592 378.0802
290.9413 397.3365
291.4234 413.3925
291.9055 439.3951
292.3877 483.5414
292.8698 528.7517
293.3519 569.7976
293.8340 607.6418
294.3161 645.7381
294.7982 686.7708
295.2804 730.6896
295.7625 772.3148
296.2446 807.8058
296.7267 844.9995
297.2088 888.9124
297.6909 934.4401
298.1731 973.5823
298.6552 1001.729
299.1373 1020.977
299.6194 1039.019
300.1015 1057.401
300.5836 1072.185
301.0658 1083.333
301.5479 1090.557
302.0300 1091.623
302.5121 1085.917
302.9942 1078.328
303.4763 1079.512
303.9585 1100.406
304.4406 1113.628
304.9227 1116.978
305.4048 1114.434
305.8869 1109.431
306.3690 1102.633
306.8512 1092.023
307.3333 1074.776
307.8154 1050.735
308.2975 1022.599
308.7796 989.6712
309.2617 952.4952
309.7439 909.9192
310.2260 863.2157
310.7081 816.0283
311.1902 771.7542
311.6723 729.7664
312.1544 695.7346
312.6366 666.4258
313.1187 645.4974
313.6008 635.8832
314.0829 636.4809
314.5650 644.0355
315.0471 656.0320
315.5293 672.0306
316.0114 691.9814
316.4935 720.2897
316.9756 748.5126
317.4577 778.9624
317.9398 807.3941
318.4220 829.0809
318.9041 841.6120
319.3862 843.2573
319.8683 829.2460
320.3504 791.7453
320.8326 747.4263
321.3147 694.8424
321.7968 637.3625
322.2789 575.5000
322.7610 510.4961
323.2431 446.4660
323.7253 391.1945
324.2074 347.9349
324.6895 307.7416
325.1716 268.4595
325.6537 233.0091
326.1358 203.0190
326.6180 178.7761
327.1001 159.5522
327.5822 144.7324
328.0643 134.8054
328.5464 126.9831
329.0285 121.8394
329.5107 117.9096
329.9928 114.3851
330.4749 111.5309
330.9570 110.5477
331.4391 112.7193
331.9212 117.6311
332.4034 119.0592
332.8855 111.1743
333.3676 106.0384
333.8497 106.2510
334.3318 110.5541
334.8139 117.1338
335.2961 125.0580
335.7782 134.4865
336.2603 145.5739
336.7424 157.2529
337.2245 172.7296
337.7066 193.4236
338.1888 217.0062
338.6709 240.9411
339.1530 264.7929
339.6351 290.3391
340.1172 320.5314
340.5993 356.7433
341.0815 394.1248
341.5636 428.4081
342.0457 466.9316
342.5278 517.3311
343.0099 577.2311
343.4920 636.7305
343.9742 687.6099
344.4563 729.9468
344.9384 762.3183
345.4205 781.3563
345.9026 792.6004
346.3847 793.6360
346.8669 788.0972
347.3490 780.8956
347.8311 774.3167
348.3132 769.6239
348.7953 772.1954
349.2774 785.2419
349.7596 801.3218
350.2417 820.1516
350.7238 840.3371
351.2059 862.6716
351.6880 887.2859
352.1701 908.2039
352.6523 916.0206
353.1344 910.3583
353.6165 892.1008
354.0986 859.3806
354.5807 816.0587
355.0628 761.0488
355.5450 695.8903
356.0271 626.7060
356.5092 557.1153
356.9913 487.2714
357.4734 423.8778
357.9555 368.4207
358.4377 318.8510
358.9198 275.4936
359.4019 237.1288
359.8840 201.7493
360.3661 168.2866
360.8482 136.9502
361.3304 107.0925
361.8125 76.43762
362.2946 53.05042
362.7767 44.97910
363.2588 42.54871
363.7409 35.76004
364.2231 21.28152
364.7052 3.832825
365.1873 12.22589
365.6694 27.50146
366.1515 36.23660
366.6336 32.13318
367.1158 24.75946
367.5979 20.09995
368.0800 18.59143
368.5621 19.64752
369.0442 25.05942
369.5263 33.32907
370.0085 36.50369
370.4906 31.35474
370.9727 25.81763
371.4548 26.74625
371.9369 31.37305
372.4190 33.36044
372.9012 28.41364
373.3833 20.75461
373.8654 16.72534
374.3475 16.67810
374.8296 17.45276
375.3117 19.10684
375.7939 19.82877
376.2760 16.68158
376.7581 8.211487
377.2402 1.064331
377.7223 7.582947
378.2044 12.04788
378.6866 17.50217
379.1687 24.89322
379.6508 33.44202
380.1329 42.73013
380.6150 52.73318
381.0971 61.57016
381.5793 62.56671
382.0614 64.57428
382.5435 82.61667
383.0256 119.0750
383.5077 157.9913
383.9898 185.6263
384.4720 204.2982
384.9541 232.1834
385.4362 275.2568
385.9183 322.5657
386.4004 369.3496
386.8825 415.0757
387.3647 458.8111
387.8468 499.5659
388.3289 538.5749
388.8110 579.6448
389.2931 627.5090
389.7752 667.7998
390.2574 694.1376
390.7395 712.8806
391.2216 731.0615
391.7037 750.2924
392.1858 769.6110
392.6679 788.8395
393.1501 809.5320
393.6322 819.0511
394.1143 816.4321
394.5964 804.7107
395.0785 784.4292
395.5606 756.3082
396.0428 721.3387
396.5249 679.4128
397.0070 632.0516
397.4891 585.6292
397.9712 538.0300
398.4533 494.4594
398.9355 455.8788
399.4176 421.3721
399.8997 389.4753
400.3818 360.0294
400.8639 333.8977
401.3460 312.7541
401.8282 298.9011
402.3103 284.2743
402.7924 267.1100
403.2745 250.5779
403.7566 236.2538
404.2387 224.0880
404.7209 213.1194
405.2030 202.4530
405.6851 192.1156
406.1672 184.2301
406.6493 180.0814
407.1314 177.1111
407.6136 173.7882
408.0957 171.2755
408.5778 171.7215
409.0599 175.8780
409.5420 181.7599
410.0241 186.0930
410.5063 188.1745
410.9884 192.4122
411.4705 199.9283
411.9526 209.5514
412.4347 220.7725
412.9168 233.5070
413.3990 247.7678
413.8811 263.1612
414.3632 280.0089
414.8453 299.3787
415.3274 321.0480
415.8095 345.8544
416.2917 377.5965
416.7738 411.7713
417.2559 442.7102
417.7380 469.5023
418.2201 491.8118
418.7022 508.7711
419.1844 520.6629
419.6665 529.7811
420.1486 535.4355
420.6307 540.2619
421.1128 545.9432
421.5949 552.2475
422.0771 564.5179
422.5592 585.4802
423.0413 612.2880
423.5234 642.3282
424.0055 675.6258
424.4876 713.7642
424.9698 758.1948
425.4519 808.2794
425.9340 858.7876
426.4161 909.3088
426.8982 960.0114
427.3803 1012.466
427.8625 1065.180
428.3446 1115.564
428.8267 1163.031
429.3088 1204.927
429.7909 1237.750
430.2730 1263.567
430.7552 1273.222
431.2373 1264.823
431.7194 1241.661
432.2015 1204.111
432.6836 1153.486
433.1657 1091.711
433.6479 1019.598
434.1300 938.4057
434.6121 859.9692
435.0942 783.3693
435.5763 710.3425
436.0584 638.8448
436.5406 571.8572
437.0227 512.3095
437.5048 461.3943
437.9869 418.0352
438.4690 380.6512
438.9511 348.9283
439.4333 324.9129
439.9154 312.5115
440.3975 303.5377
440.8796 293.9757
441.3617 285.0682
441.8438 280.8141
442.3260 284.6288
442.8081 294.5022
443.2902 304.2698
443.7723 315.0597
444.2544 322.9428
444.7365 327.1166
445.2187 327.5203
445.7008 324.1836
446.1829 317.2470
446.6650 304.8307
447.1471 283.8185
447.6292 255.4102
448.1114 224.8325
448.5935 190.3992
449.0756 158.9841
449.5577 138.6012
450.0398 126.1863
450.5219 113.0682
451.0041 95.76636
451.4862 77.70245
451.9683 62.01407
452.4504 48.54486
452.9325 36.17130
453.4146 23.94919
453.8968 13.10162
454.3789 6.732941
454.8610 5.412201
455.3431 5.389862
455.8252 7.586060
456.3073 9.709290
456.7895 8.600250
457.2716 4.134705
457.7537 0.4507450
458.2358 2.223358
458.7179 1.182831
459.2000 1.452209
459.6822 4.442078
460.1643 6.894806
460.6464 7.152374
461.1285 6.574768
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1285.066 0.0000000E+00
