#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:41:38 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1233 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000645.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_1000645
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 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            R060558.rod
_rod_data_source.block           3500000
_rod_database.code               1000645
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
90.59570 0.0000000E+00
91.07782 0.2507320
91.55994 4.399414
92.04205 11.80560
92.52417 20.93707
93.00629 31.08081
93.48840 38.07019
93.97052 38.40918
94.45264 31.44348
94.93475 27.42780
95.41687 22.80658
95.89898 16.92365
96.38110 11.67767
96.86321 8.729858
97.34533 8.176392
97.82745 8.269348
98.30956 9.069092
98.79168 10.04572
99.27380 12.24060
99.75591 16.28522
100.2380 21.90601
100.7201 27.89734
101.2023 33.30042
101.6844 38.43744
102.1665 44.61694
102.6486 50.99500
103.1307 58.41763
103.6128 67.79205
104.0950 79.52942
104.5771 93.97794
105.0592 111.4308
105.5413 131.5927
106.0234 154.2776
106.5055 179.9038
106.9877 207.7141
107.4698 236.4234
107.9519 269.9394
108.4340 300.1298
108.9161 327.4090
109.3982 349.2977
109.8804 363.0482
110.3625 367.2470
110.8446 361.8913
111.3267 349.8895
111.8088 327.7595
112.2909 302.4469
112.7731 274.9290
113.2552 245.6281
113.7373 216.4370
114.2194 190.2946
114.7015 167.9907
115.1836 148.3739
115.6658 132.5776
116.1479 119.0180
116.6300 106.2734
117.1121 93.84085
117.5942 82.19156
118.0763 72.66986
118.5584 65.56403
119.0406 59.08099
119.5227 52.73337
120.0048 46.58325
120.4869 40.80765
120.9690 35.47916
121.4511 30.93890
121.9333 27.50812
122.4154 25.48108
122.8975 24.03171
123.3796 22.68329
123.8617 21.47556
124.3438 19.94092
124.8260 18.15115
125.3081 15.80411
125.7902 12.21338
126.2723 6.661469
126.7544 0.3767700
127.2365 3.721924
127.7187 4.653015
128.2008 4.846924
128.6829 4.692413
129.1650 4.476013
129.6471 4.617340
130.1292 5.472565
130.6114 6.955566
131.0935 7.778748
131.5756 7.283569
132.0577 6.722656
132.5398 6.461517
133.0219 6.393402
133.5041 6.221436
133.9862 5.730927
134.4683 4.951385
134.9504 3.431763
135.4325 1.108154
135.9146 1.769226
136.3968 4.828339
136.8789 8.073334
137.3610 12.35947
137.8431 18.89185
138.3252 28.27548
138.8073 36.78973
139.2895 43.69934
139.7716 49.79053
140.2537 56.15637
140.7358 63.14142
141.2179 69.89398
141.7000 75.27066
142.1821 79.45462
142.6643 82.53485
143.1464 84.59219
143.6285 85.58386
144.1106 85.19778
144.5927 82.53159
145.0748 79.34845
145.5570 77.13431
146.0391 75.92004
146.5212 75.25803
147.0033 74.69717
147.4854 74.17715
147.9675 74.35556
148.4497 76.53815
148.9318 79.85666
149.4139 85.03091
149.8960 92.15573
150.3781 100.5871
150.8602 109.5743
151.3424 119.9677
151.8245 129.1053
152.3066 137.4031
152.7887 144.3173
153.2708 149.3667
153.7529 152.3681
154.2351 153.6539
154.7172 153.9709
155.1993 151.7308
155.6814 150.4175
156.1635 150.7371
156.6456 151.9000
157.1278 152.8739
157.6099 153.1111
158.0920 152.9749
158.5741 154.0769
159.0562 157.9302
159.5383 161.1303
160.0205 162.4797
160.5026 162.5208
160.9847 162.4392
161.4668 162.7910
161.9489 163.6459
162.4310 165.0772
162.9131 166.6553
163.3953 169.1039
163.8774 172.7778
164.3595 177.6683
164.8416 183.6352
165.3237 190.3720
165.8058 198.3892
166.2880 208.5166
166.7701 221.4074
167.2522 236.0474
167.7343 251.2197
168.2164 266.7629
168.6985 283.5074
169.1807 303.6104
169.6628 324.7530
170.1449 344.5648
170.6270 363.7533
171.1091 380.0553
171.5912 387.9600
172.0734 385.5816
172.5555 377.2865
173.0376 364.2589
173.5197 347.7286
174.0018 329.0694
174.4839 308.6996
174.9661 287.0464
175.4482 266.4687
175.9303 247.9731
176.4124 229.3694
176.8945 209.6959
177.3766 189.5074
177.8588 170.0096
178.3409 151.8984
178.8230 135.0783
179.3051 119.4138
179.7872 104.3832
180.2693 90.92392
180.7515 79.58527
181.2336 70.12811
181.7157 62.13657
182.1978 55.32071
182.6799 49.79521
183.1620 44.60936
183.6441 39.24916
184.1263 34.40994
184.6084 30.35941
185.0905 27.14363
185.5726 24.81020
186.0547 23.24193
186.5368 22.55441
187.0190 22.87256
187.5011 24.14067
187.9832 26.28470
188.4653 29.27838
188.9474 33.14206
189.4296 37.87225
189.9117 43.22028
190.3938 49.25287
190.8759 57.20699
191.3580 67.32303
191.8401 79.37329
192.3223 93.46243
192.8044 109.8643
193.2865 127.4306
193.7686 146.7768
194.2507 166.9147
194.7328 183.7518
195.2150 197.2994
195.6971 206.5822
196.1792 209.0994
196.6613 203.1341
197.1434 193.2477
197.6255 181.1257
198.1077 167.7448
198.5898 156.0045
199.0719 146.9319
199.5540 140.5437
200.0361 137.0936
200.5182 137.1895
201.0004 139.7688
201.4825 144.0224
201.9646 149.8881
202.4467 157.2329
202.9288 166.2438
203.4109 176.8626
203.8930 187.7710
204.3752 198.6345
204.8573 210.1919
205.3394 222.8566
205.8215 236.3782
206.3036 250.3283
206.7857 264.5963
207.2679 279.2906
207.7500 292.3293
208.2321 302.2244
208.7142 311.6938
209.1963 321.6908
209.6784 331.9842
210.1606 341.7886
210.6427 350.4792
211.1248 358.0159
211.6069 364.2554
212.0890 369.5980
212.5711 373.4378
213.0533 375.6623
213.5354 376.1772
214.0175 374.8607
214.4996 371.5652
214.9817 366.1866
215.4638 359.0925
215.9460 350.3561
216.4281 340.2896
216.9102 328.4236
217.3923 315.1459
217.8744 301.5996
218.3565 288.9437
218.8387 277.3514
219.3208 265.0278
219.8029 251.9457
220.2850 238.2139
220.7671 223.6707
221.2492 208.4053
221.7314 192.8796
222.2135 177.3415
222.6956 161.8342
223.1777 147.1144
223.6598 133.0522
224.1419 119.8248
224.6240 107.7561
225.1062 96.80594
225.5883 86.54860
226.0704 76.76625
226.5525 67.48384
227.0346 58.34549
227.5167 48.61967
227.9989 39.49481
228.4810 32.51329
228.9631 27.80704
229.4452 23.51123
229.9273 18.15941
230.4094 12.22426
230.8916 6.993988
231.3737 3.001358
231.8558 0.3523410
232.3379 3.862411
232.8200 7.635849
233.3021 10.81711
233.7843 12.33128
234.2664 12.98372
234.7485 14.01483
235.2306 16.17624
235.7127 18.47450
236.1948 19.51724
236.6770 19.12178
237.1591 18.22865
237.6412 17.17876
238.1233 15.93866
238.6054 14.39403
239.0875 12.46916
239.5697 10.36786
240.0518 8.470078
240.5339 6.861359
241.0160 5.113342
241.4981 3.094360
241.9802 0.8453830
242.4624 1.713455
242.9445 4.687271
243.4266 7.726685
243.9087 10.08949
244.3908 11.35532
244.8729 13.12935
245.3550 15.73561
245.8372 19.03520
246.3193 23.02322
246.8014 27.72456
247.2835 32.92203
247.7656 38.38557
248.2477 44.24886
248.7299 50.03922
249.2120 55.49155
249.6941 60.87875
250.1762 66.47148
250.6583 72.35124
251.1404 78.23349
251.6226 83.62527
252.1047 88.11209
252.5868 92.99951
253.0689 98.75583
253.5510 104.6619
254.0331 110.4410
254.5153 115.9363
254.9974 120.9001
255.4795 125.0142
255.9616 128.3171
256.4437 130.5117
256.9258 131.2751
257.4080 131.4143
257.8901 131.2452
258.3722 130.9273
258.8543 130.6664
259.3364 130.6407
259.8185 130.4458
260.3007 131.6602
260.7828 134.3130
261.2649 138.0198
261.7470 142.6542
262.2291 148.1500
262.7112 154.3395
263.1934 161.0781
263.6755 168.3892
264.1576 176.2683
264.6397 184.5693
265.1218 193.3957
265.6039 202.6225
266.0861 212.3201
266.5682 222.8754
267.0503 234.7999
267.5324 248.3779
268.0145 261.3203
268.4966 274.0196
268.9788 285.8922
269.4609 296.6898
269.9430 306.3716
270.4251 314.9464
270.9072 322.4403
271.3893 328.8061
271.8715 333.8212
272.3536 338.2105
272.8357 340.8931
273.3178 341.0804
273.7999 339.1265
274.2820 335.9524
274.7642 332.1294
275.2463 327.6413
275.7284 322.2852
276.2105 316.5808
276.6926 309.7056
277.1747 300.8960
277.6568 290.6583
278.1389 280.2318
278.6211 270.3588
279.1032 260.7110
279.5853 249.6510
280.0674 235.9065
280.5495 222.5128
281.0316 210.4123
281.5138 199.1445
281.9959 187.7589
282.4780 175.7751
282.9601 163.7021
283.4422 153.1241
283.9243 143.7159
284.4065 135.9308
284.8886 130.1233
285.3707 125.9339
285.8528 122.9037
286.3349 120.9018
286.8170 119.8724
287.2992 119.6001
287.7813 119.5319
288.2634 121.8593
288.7455 127.9800
289.2276 136.2551
289.7097 144.6757
290.1919 152.6997
290.6740 160.9129
291.1561 170.2093
291.6382 180.7155
292.1203 192.0510
292.6024 203.9845
293.0846 216.7524
293.5667 230.8315
294.0488 246.3893
294.5309 262.6729
295.0130 279.2030
295.4951 295.9674
295.9773 312.1571
296.4594 327.3579
296.9415 342.2910
297.4236 358.0366
297.9057 374.3694
298.3878 389.5421
298.8700 402.3699
299.3521 412.7527
299.8342 421.8839
300.3163 429.8945
300.7984 436.4057
301.2805 441.3632
301.7627 444.7073
302.2448 446.2170
302.7269 445.5426
303.2090 443.0227
303.6911 439.9487
304.1732 436.3607
304.6554 432.2410
305.1375 427.4775
305.6196 422.1713
306.1017 416.7318
306.5838 411.5470
307.0659 405.8694
307.5481 398.0225
308.0302 387.6825
308.5123 377.2950
308.9944 368.1329
309.4765 359.3947
309.9586 349.6657
310.4408 338.4585
310.9229 326.9531
311.4050 316.7535
311.8871 307.7635
312.3692 299.5214
312.8513 291.2079
313.3335 283.9662
313.8156 278.9459
314.2977 276.2765
314.7798 275.6337
315.2619 276.7179
315.7440 279.7222
316.2262 285.2982
316.7083 295.1154
317.1904 306.4295
317.6725 317.3833
318.1546 327.8174
318.6367 337.5804
319.1188 347.2201
319.6010 355.8785
320.0831 360.8902
320.5652 363.0165
321.0473 360.8971
321.5294 353.4138
322.0115 341.0898
322.4937 325.1792
322.9758 305.9274
323.4579 283.8764
323.9400 260.5937
324.4221 234.7645
324.9042 210.5034
325.3864 189.2709
325.8685 170.5423
326.3506 153.0530
326.8327 136.3201
327.3148 120.9971
327.7969 108.3076
328.2791 98.26544
328.7612 89.73201
329.2433 82.66121
329.7254 76.96918
330.2075 72.79274
330.6896 70.15533
331.1718 68.30005
331.6539 66.35574
332.1360 64.32793
332.6181 63.64943
333.1002 64.99078
333.5823 67.22641
334.0645 69.42798
334.5466 71.64897
335.0287 74.71097
335.5108 79.22643
335.9929 85.12460
336.4750 91.35196
336.9572 97.19965
337.4393 104.1052
337.9214 112.8640
338.4035 123.1671
338.8856 133.9937
339.3677 144.6802
339.8499 156.0001
340.3320 170.3079
340.8141 188.4478
341.2962 207.4047
341.7783 226.1213
342.2604 245.5424
342.7426 267.3696
343.2247 292.0108
343.7068 317.4552
344.1889 341.1851
344.6710 363.4998
345.1531 382.0382
345.6353 397.5005
346.1174 408.5327
346.5995 413.7290
347.0816 413.1636
347.5637 408.1056
348.0458 399.3831
348.5280 386.7805
349.0101 372.8270
349.4922 355.4706
349.9743 339.0603
350.4564 325.4522
350.9385 314.3838
351.4207 305.0070
351.9028 296.9712
352.3849 290.1037
352.8670 283.6132
353.3491 278.0107
353.8312 272.1693
354.3134 267.2472
354.7955 261.5226
355.2776 252.8564
355.7597 240.5216
356.2418 225.5302
356.7239 209.3722
357.2061 191.3814
357.6882 173.4837
358.1703 155.0762
358.6524 137.1627
359.1345 120.3329
359.6166 104.6689
360.0987 90.29898
360.5808 77.27733
361.0630 65.63519
361.5451 55.10292
362.0272 45.83022
362.5093 37.44345
362.9914 29.91824
363.4735 23.16101
363.9557 17.22435
364.4378 12.14531
364.9199 7.819382
365.4020 3.783905
365.8841 0.3048100
366.3662 3.527710
366.8484 5.411469
367.3305 6.612427
367.8126 7.713211
368.2947 8.906998
368.7768 10.10359
369.2589 11.16470
369.7411 12.05191
370.2232 12.89806
370.7053 14.13472
371.1874 14.99084
371.6695 14.90863
372.1516 13.99130
372.6338 12.83095
373.1159 11.90424
373.5980 11.20633
374.0801 10.59906
374.5622 10.43776
375.0443 9.896637
375.5265 8.540024
376.0086 6.691376
376.4907 4.883118
376.9728 3.405609
377.4549 2.014755
377.9370 0.1666720
378.4192 2.202988
378.9013 4.865143
379.3834 7.701996
379.8655 10.83672
380.3476 14.43814
380.8297 18.53580
381.3119 22.91029
381.7940 27.16730
382.2761 31.33011
382.7582 36.24721
383.2403 42.05539
383.7224 48.71300
384.2046 56.17426
384.6867 64.33864
385.1688 73.05081
385.6509 81.98439
386.1330 91.37321
386.6151 101.9473
387.0973 113.8840
387.5794 126.2722
388.0615 139.3116
388.5436 152.3327
389.0257 164.3783
389.5078 175.3019
389.9900 185.1457
390.4721 194.1109
390.9542 202.1460
391.4363 208.5381
391.9184 212.8809
392.4005 215.5999
392.8827 217.6393
393.3648 219.1761
393.8469 218.8493
394.3290 215.9434
394.8111 210.9035
395.2932 204.1855
395.7754 195.7071
396.2575 186.4817
396.7396 177.3472
397.2217 168.2048
397.7038 158.2442
398.1859 146.3191
398.6681 134.4285
399.1501 123.5724
399.6323 113.7921
400.1144 105.1054
400.5965 97.58311
401.0786 91.06507
401.5607 85.24083
402.0428 79.72030
402.5250 75.40504
403.0071 73.12055
403.4892 71.84001
403.9713 70.32040
404.4534 68.30856
404.9355 66.48540
405.4177 65.67842
405.8998 66.09638
406.3819 66.53114
406.8640 66.44817
407.3461 66.83479
407.8282 68.33071
408.3104 70.71230
408.7925 73.28392
409.2746 75.58645
409.7567 77.83188
410.2388 81.03714
410.7209 85.52589
411.2031 90.58759
411.6852 96.10439
412.1673 102.1881
412.6494 108.7992
413.1315 116.0155
413.6136 124.2063
414.0958 133.8102
414.5779 144.8918
415.0600 157.3886
415.5421 171.8791
416.0242 187.2525
416.5063 203.1487
416.9885 219.6587
417.4706 237.1091
417.9527 256.5029
418.4348 276.4273
418.9169 292.4683
419.3990 304.5598
419.8812 312.5100
420.3633 314.9672
420.8454 314.2209
421.3275 311.4580
421.8096 306.8809
422.2917 302.5298
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