#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:18:46 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1077 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000519.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_1000519
loop_
_publ_author_name
'Armbruster, T.'
_publ_section_title
;
 Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val
 Calanca, Grisons, Switzerland Note: Sample NMBE 34974
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              279
_journal_page_last               284
_journal_volume                  80
_journal_year                    2000
_chemical_compound_source        '2 Arvigo, Val Calanca, Grisons, Switzerland'
_chemical_formula_sum            'Al0.03 Ca2 Fe1.366 H Mg0.344 Mn0.26 O15 Si5'
_chemical_name_mineral           Babingtonite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.10
_cell_angle_beta                 93.92
_cell_angle_gamma                112.08
_cell_length_a                   7.480
_cell_length_b                   12.159
_cell_length_c                   6.678
_cell_volume                     560.910
_exptl_crystal_density_diffrn    3.324
_cod_original_cell_volume        560.911
_cod_original_formula_sum        'Ca2 Fe1.366 Mn.26 Mg.344 Al.03 Si5 H O15'
_cod_database_code               9014105
_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            R060084.rod
_rod_data_source.block           3500000
_rod_database.code               1000519
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 9014105 COD http://www.crystallography.net/cod/9014105.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
122.6731 0.0000000E+00
123.1552 0.1668340
123.6373 0.6656910
124.1194 1.329681
124.6016 2.092657
125.0837 2.848837
125.5658 3.684870
126.0479 4.884026
126.5300 6.360834
127.0121 7.559103
127.4943 8.017086
127.9764 7.840590
128.4585 7.422802
128.9406 6.617149
129.4227 5.294966
129.9048 4.036982
130.3869 2.839659
130.8691 1.851954
131.3512 1.325796
131.8333 1.141659
132.3154 0.9272100
132.7975 0.5995940
133.2796 0.2193780
133.7618 7.1448997E-02
134.2439 0.2830120
134.7260 0.3833450
135.2081 0.3054710
135.6902 4.9619999E-02
136.1723 0.2956540
136.6545 0.6848530
137.1366 1.115793
137.6187 1.632858
138.1008 2.259815
138.5829 2.959816
139.0650 3.646717
139.5472 4.294321
140.0293 5.028282
140.5114 5.909538
140.9935 6.931787
141.4756 8.176426
141.9577 9.749817
142.4399 11.56097
142.9220 13.23098
143.4041 15.02230
143.8862 16.28030
144.3683 16.51439
144.8504 15.47026
145.3326 13.97368
145.8147 11.95675
146.2968 9.440979
146.7789 7.430336
147.2610 5.960878
147.7431 4.931551
148.2253 4.254984
148.7074 4.088814
149.1895 4.058720
149.6716 4.136982
150.1537 4.335857
150.6358 4.525616
151.1180 4.879105
151.6001 5.148258
152.0822 5.068876
152.5643 4.236244
153.0464 3.543577
153.5285 3.163813
154.0107 3.016321
154.4928 2.925863
154.9749 2.909376
155.4570 2.975019
155.9391 3.131102
156.4212 3.425179
156.9034 3.768723
157.3855 4.147379
157.8676 4.579098
158.3497 4.974031
158.8318 5.380842
159.3139 5.737406
159.7961 5.941122
160.2782 5.960892
160.7603 5.828934
161.2424 5.500734
161.7245 4.787804
162.2066 4.293953
162.6888 4.391161
163.1709 4.858759
163.6530 5.209970
164.1351 5.170630
164.6172 5.006767
165.0993 4.891422
165.5815 4.882307
166.0636 4.883154
166.5457 4.885836
167.0278 4.869057
167.5099 4.767328
167.9921 4.346796
168.4742 3.919498
168.9563 3.783733
169.4384 4.173670
169.9205 4.660265
170.4026 4.999853
170.8848 5.201992
171.3669 5.294865
171.8490 5.215775
172.3311 5.063404
172.8132 4.950499
173.2953 4.884399
173.7775 4.896242
174.2596 5.036480
174.7417 5.294371
175.2238 5.591984
175.7059 6.021879
176.1880 6.431454
176.6702 6.565767
177.1523 6.252110
177.6344 5.686310
178.1165 5.082867
178.5986 4.436268
179.0807 3.743422
179.5629 2.914082
180.0450 2.021996
180.5271 1.241583
181.0092 0.6456430
181.4913 0.2051110
181.9734 9.5395997E-02
182.4556 0.2544270
182.9377 0.3449270
183.4198 0.4840450
183.9019 0.6272890
184.3840 0.6140000
184.8661 0.3283290
185.3483 0.1443810
185.8304 0.6402740
186.3125 1.172918
186.7946 1.698690
187.2767 2.085604
187.7588 2.373215
188.2409 2.794268
188.7231 3.486345
189.2052 4.389936
189.6873 5.321365
190.1694 6.295877
190.6515 7.252695
191.1336 8.139137
191.6158 8.952963
192.0979 9.672894
192.5800 10.40327
193.0621 11.09677
193.5442 11.35744
194.0263 11.12773
194.5085 10.61258
194.9906 10.09945
195.4727 9.589582
195.9548 8.978888
196.4369 8.152239
196.9190 7.130514
197.4012 6.274878
197.8833 5.605293
198.3654 5.056620
198.8475 4.515354
199.3296 3.962896
199.8117 3.580349
200.2939 3.512598
200.7760 3.764355
201.2581 3.929647
201.7402 3.974974
202.2223 3.980804
202.7044 4.091934
203.1866 4.320061
203.6687 4.581636
204.1508 4.870100
204.6329 5.198212
205.1150 5.403461
205.5971 5.456242
206.0793 5.420984
206.5614 5.414816
207.0435 5.440815
207.5256 5.484255
208.0077 5.540859
208.4898 5.612000
208.9720 5.654215
209.4541 5.580885
209.9362 5.557709
210.4183 5.977411
210.9004 6.948599
211.3825 8.035709
211.8647 9.038303
212.3468 9.906693
212.8289 10.96495
213.3110 12.37534
213.7931 13.86827
214.2752 14.81985
214.7574 15.17998
215.2395 15.14244
215.7216 14.78119
216.2037 14.09175
216.6858 13.09184
217.1679 11.69515
217.6501 10.03275
218.1322 8.397484
218.6143 6.700674
219.0964 5.180279
219.5785 3.978392
220.0606 3.126911
220.5428 2.446749
221.0249 1.981472
221.5070 1.668280
221.9891 1.367645
222.4712 1.049072
222.9533 0.7936190
223.4355 0.6477470
223.9176 0.6396390
224.3997 0.6488080
224.8818 0.6534900
225.3639 0.6847060
225.8460 0.8346040
226.3282 1.186548
226.8103 1.512463
227.2924 1.675514
227.7745 1.534920
228.2566 1.623018
228.7387 1.983778
229.2209 2.554943
229.7030 3.177021
230.1851 3.820763
230.6672 4.575588
231.1493 5.500898
231.6314 6.682899
232.1136 7.808187
232.5957 8.886057
233.0778 9.906801
233.5599 10.84049
234.0420 11.76519
234.5241 12.50456
235.0063 12.99950
235.4884 13.26255
235.9705 13.23459
236.4526 12.82297
236.9347 12.12957
237.4168 11.37656
237.8990 10.59995
238.3811 9.726889
238.8632 8.705820
239.3453 7.459309
239.8274 6.277876
240.3095 5.134480
240.7917 4.060886
241.2738 3.109919
241.7559 2.302868
242.2380 1.593523
242.7201 0.9835210
243.2022 0.4698560
243.6844 5.4644000E-02
244.1665 0.2586990
244.6486 0.4792710
245.1307 0.6180690
245.6128 0.6548160
246.0949 0.6438160
246.5771 0.6008470
247.0592 0.5263900
247.5413 0.4154070
248.0234 0.2557950
248.5055 6.8602003E-02
248.9876 0.1079730
249.4697 0.2587070
249.9519 0.4288060
250.4340 0.6354060
250.9161 0.8861680
251.3982 1.139532
251.8803 1.417698
252.3624 1.678703
252.8446 1.858978
253.3267 1.945156
253.8088 1.978573
254.2909 1.949823
254.7730 1.842381
255.2551 1.816391
255.7373 1.928501
256.2194 2.064760
256.7015 2.070234
257.1836 1.866230
257.6657 1.703136
258.1479 1.632036
258.6300 1.653168
259.1121 1.767820
259.5942 1.999723
260.0763 2.297672
260.5584 2.613266
261.0406 2.931679
261.5227 3.296387
262.0048 3.720417
262.4869 4.199579
262.9690 4.715052
263.4511 5.259134
263.9333 5.846163
264.4154 6.501297
264.8975 7.264977
265.3796 7.992729
265.8617 8.663649
266.3438 9.276154
266.8260 9.909151
267.3081 10.64709
267.7902 11.24443
268.2723 11.46644
268.7544 11.26451
269.2365 10.88194
269.7187 10.32058
270.2008 9.603786
270.6829 8.891888
271.1650 8.198715
271.6471 7.477337
272.1292 6.665627
272.6114 5.715240
273.0935 4.937212
273.5756 4.400394
274.0577 4.057825
274.5398 3.726017
275.0219 3.379570
275.5041 3.130116
275.9862 3.074978
276.4683 3.235489
276.9504 3.405565
277.4325 3.567282
277.9146 3.726910
278.3968 3.904352
278.8788 4.103197
279.3610 4.299519
279.8431 4.469255
280.3252 4.609442
280.8073 4.791868
281.2894 5.041018
281.7715 5.304296
282.2537 5.466921
282.7358 5.519711
283.2179 5.568954
283.7000 5.727379
284.1821 5.981461
284.6642 5.998430
285.1464 5.739302
285.6285 5.320732
286.1106 4.902996
286.5927 4.485678
287.0748 4.046785
287.5569 3.565340
288.0391 3.046427
288.5212 2.545542
289.0033 2.062092
289.4854 1.588301
289.9675 1.083061
290.4496 0.5548630
290.9318 0.1241720
291.4139 0.1374590
291.8960 0.2775250
292.3781 0.4733540
292.8602 0.7396680
293.3423 0.9329850
293.8245 0.9193310
294.3066 0.7111000
294.7887 0.3414690
295.2708 0.3298850
295.7529 1.064146
296.2350 1.295124
296.7172 1.024223
297.1993 0.6291120
297.6814 0.3631990
298.1635 0.2144850
298.6456 0.1641770
299.1277 0.2486630
299.6099 0.3784290
300.0920 0.4057850
300.5741 0.3434010
301.0562 0.2755570
301.5383 0.2185900
302.0204 0.1838110
302.5026 0.2106320
302.9847 0.3134520
303.4668 0.4846320
303.9489 0.7375300
304.4310 1.056339
304.9131 1.400164
305.3953 1.717852
305.8774 2.057028
306.3595 2.479546
306.8416 3.000582
307.3237 3.558657
307.8058 4.109205
308.2880 4.649775
308.7701 5.179136
309.2522 5.669180
309.7343 6.169329
310.2164 6.740311
310.6985 7.400164
311.1807 8.054556
311.6628 8.710619
312.1449 9.314329
312.6270 9.763594
313.1091 9.862762
313.5912 9.920988
314.0734 10.15560
314.5555 10.57225
315.0376 10.98347
315.5197 11.30919
316.0018 11.57530
316.4839 11.80056
316.9661 11.83889
317.4482 11.98176
317.9303 12.41668
318.4124 13.09785
318.8945 13.75098
319.3766 14.35327
319.8588 14.83688
320.3409 15.13983
320.8230 15.12098
321.3051 15.09370
321.7872 15.19185
322.2693 15.35454
322.7515 15.39567
323.2336 15.26203
323.7157 15.00327
324.1978 14.62363
324.6799 14.03931
325.1620 13.51032
325.6442 13.13400
326.1263 12.82712
326.6084 12.44208
327.0905 11.84100
327.5726 11.27277
328.0547 10.80536
328.5369 10.45394
329.0190 10.17743
329.5011 9.992487
329.9832 9.875748
330.4653 9.805410
330.9474 9.850523
331.4296 9.857233
331.9117 9.794161
332.3938 9.659523
332.8759 9.500195
333.3580 9.290340
333.8401 9.078531
334.3223 8.915211
334.8044 8.860126
335.2865 8.728231
335.7686 8.482885
336.2507 8.138908
336.7328 7.790939
337.2150 7.433081
337.6971 7.074890
338.1792 6.733248
338.6613 6.440069
339.1434 6.035435
339.6255 5.465025
340.1077 4.814503
340.5898 4.259499
341.0719 3.820721
341.5540 3.432798
342.0361 3.102507
342.5182 2.834068
343.0004 2.458088
343.4825 1.947874
343.9646 1.401669
344.4467 0.9522060
344.9288 0.6049310
345.4109 0.3317170
345.8931 0.1455100
346.3752 2.7558999E-02
346.8573 9.5402002E-02
347.3394 0.2278920
347.8215 0.3385050
348.3036 0.4090190
348.7858 0.4358040
349.2679 0.4077220
349.7500 0.2978230
350.2321 0.1473480
350.7142 1.9796001E-02
351.1964 8.8065997E-02
351.6785 0.1850640
352.1606 0.2614500
352.6427 0.3469280
353.1248 0.4969200
353.6069 0.7191810
354.0891 0.9264200
354.5712 1.017836
355.0533 1.016392
355.5354 0.9873410
356.0175 0.9517670
356.4996 0.9144550
356.9818 0.8658180
357.4639 0.7996030
357.9460 0.7767940
358.4281 0.8957960
358.9102 1.074507
359.3923 1.191845
359.8745 1.062925
360.3566 0.9675880
360.8387 1.098391
361.3208 1.444567
361.8029 1.830074
362.2850 2.232204
362.7672 2.609034
363.2493 2.923693
363.7314 3.107611
364.2135 3.300615
364.6956 3.542006
365.1777 3.824862
365.6599 4.125576
366.1420 4.466566
366.6241 4.803780
367.1062 5.111816
367.5883 5.379583
368.0704 5.642351
368.5526 5.941561
369.0347 6.228567
369.5168 6.432640
369.9989 6.453703
370.4810 6.491888
370.9631 6.595428
371.4453 6.773014
371.9274 6.948931
372.4095 7.141867
372.8916 7.315109
373.3737 7.422665
373.8558 7.373199
374.3380 7.448885
374.8201 7.737925
375.3022 8.190960
375.7843 8.516111
376.2664 8.676727
376.7485 8.794207
377.2307 8.937746
377.7128 9.112894
378.1949 9.291786
378.6770 9.483496
379.1591 9.663839
379.6412 9.738800
380.1234 9.686497
380.6055 9.747454
381.0876 10.06784
381.5697 10.60691
382.0518 11.08935
382.5339 11.49769
383.0161 11.92741
383.4982 12.47954
383.9803 13.14495
384.4624 13.86443
384.9445 14.68704
385.4266 15.49006
385.9088 15.98759
386.3909 16.21063
386.8730 16.49043
387.3551 17.16399
387.8372 18.04023
388.3193 18.78704
388.8015 19.32508
389.2836 19.76679
389.7657 20.18191
390.2478 20.58881
390.7299 21.01066
391.2120 21.48733
391.6942 21.96153
392.1763 22.39235
392.6584 22.77234
393.1405 23.09241
393.6226 23.36716
394.1047 23.57411
394.5869 23.68457
395.0690 23.60489
395.5511 23.50890
396.0332 23.41013
396.5153 23.33202
396.9974 23.38125
397.4796 23.60644
397.9617 23.94174
398.4438 24.36520
398.9259 24.92995
399.4080 25.49560
399.8901 26.08778
400.3723 26.66796
400.8544 27.16636
401.3365 27.64608
401.8186 27.97639
402.3007 28.11298
402.7828 28.04638
403.2649 27.85216
403.7470 27.59724
404.2292 27.14502
404.7113 26.36969
405.1934 25.22275
405.6755 23.85375
406.1576 22.22518
406.6397 20.41979
407.1219 18.73850
407.6040 17.18371
408.0861 15.75543
408.5682 14.45387
409.0503 13.29817
409.5324 12.21039
410.0146 11.18157
410.4967 10.23783
410.9788 9.423100
411.4609 8.738879
411.9430 8.125832
412.4251 7.530975
412.9073 7.008850
413.3894 6.683802
413.8715 6.551911
414.3536 6.477884
414.8357 6.350327
415.3178 6.200709
415.8000 6.089862
416.2821 6.032169
416.7642 6.012743
417.2463 6.043954
417.7284 6.105096
418.2105 6.140722
418.6927 6.069176
419.1748 5.997219
419.6569 6.048008
420.1390 6.257030
420.6211 6.361878
421.1032 6.180334
421.5854 5.855669
422.0675 5.544182
422.5496 5.256384
423.0317 5.016500
423.5138 4.818213
423.9959 4.668108
424.4781 4.592165
424.9602 4.669447
425.4423 4.766619
425.9244 4.804714
426.4065 4.639599
426.8886 4.689590
427.3708 5.090582
427.8529 5.649633
428.3350 6.058810
428.8171 6.214712
429.2992 6.411299
429.7813 6.742193
430.2635 7.200310
430.7456 7.591969
431.2277 7.894833
431.7098 8.174637
432.1919 8.510662
432.6740 8.916559
433.1562 9.205685
433.6383 9.346083
434.1204 9.372322
434.6025 9.362556
435.0846 9.315412
435.5667 9.170018
436.0489 8.904591
436.5310 8.513457
437.0131 7.950518
437.4952 7.203995
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