#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:16:45 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1054 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000502.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_1000502
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        '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            R060083.rod
_rod_data_source.block           3500000
_rod_database.code               1000502
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
110.6202 0.0000000E+00
111.1023 1.7190001E-03
111.5844 4.7274001E-02
112.0665 0.2184440
112.5486 0.5601640
113.0308 0.9172600
113.5129 1.283453
113.9950 1.594557
114.4771 1.791076
114.9592 1.917020
115.4413 2.048233
115.9235 2.117833
116.4056 2.248425
116.8877 2.508219
117.3698 2.978497
117.8519 3.420530
118.3340 3.774761
118.8162 4.039616
119.2983 4.212605
119.7804 4.120474
120.2625 4.030128
120.7446 4.133492
121.2267 4.426226
121.7089 4.986063
122.1910 5.920933
122.6731 7.190823
123.1552 8.611488
123.6373 10.03101
124.1194 11.53841
124.6016 13.27985
125.0837 15.33983
125.5658 17.58568
126.0479 20.13066
126.5300 22.94236
127.0121 25.29765
127.4943 26.87992
127.9764 27.55824
128.4585 27.06488
128.9406 24.68074
129.4227 21.21072
129.9048 17.97203
130.3869 14.93757
130.8691 12.27442
131.3512 10.24111
131.8333 8.709393
132.3154 7.339968
132.7975 6.118105
133.2796 5.087479
133.7618 4.372316
134.2439 3.987606
134.7260 3.831791
135.2081 3.742970
135.6902 3.714113
136.1723 3.851898
136.6545 4.235806
137.1366 4.861900
137.6187 5.560944
138.1008 6.309347
138.5829 7.142620
139.0650 8.222616
139.5472 9.628286
140.0293 11.00212
140.5114 12.05733
140.9935 12.66470
141.4756 13.61935
141.9577 15.09913
142.4399 16.98498
142.9220 18.78495
143.4041 20.80120
143.8862 22.27485
144.3683 22.66770
144.8504 21.79542
145.3326 20.25555
145.8147 17.93927
146.2968 14.92962
146.7789 12.41600
147.2610 10.18158
147.7431 8.397636
148.2253 7.244585
148.7074 6.851326
149.1895 6.612726
149.6716 6.517700
150.1537 6.598257
150.6358 6.754421
151.1180 7.060665
151.6001 7.423288
152.0822 7.739534
152.5643 8.141823
153.0464 8.370157
153.5285 8.341732
154.0107 8.000895
154.4928 7.636562
154.9749 7.277231
155.4570 6.900396
155.9391 6.476904
156.4212 5.819592
156.9034 5.264557
157.3855 4.951736
157.8676 4.965633
158.3497 5.014109
158.8318 5.089243
159.3139 5.161060
159.7961 5.178970
160.2782 5.145641
160.7603 5.045540
161.2424 4.867666
161.7245 4.597322
162.2066 4.280754
162.6888 3.879755
163.1709 3.440674
163.6530 3.066278
164.1351 2.788452
164.6172 2.591393
165.0993 2.472855
165.5815 2.465210
166.0636 2.475668
166.5457 2.411905
167.0278 2.317476
167.5099 2.328951
167.9921 2.541887
168.4742 2.858051
168.9563 3.233213
169.4384 3.675894
169.9205 4.146524
170.4026 4.669842
170.8848 5.219694
171.3669 5.673502
171.8490 5.989990
172.3311 6.160458
172.8132 6.166512
173.2953 5.936380
173.7775 5.609646
174.2596 5.288980
174.7417 4.974945
175.2238 4.679808
175.7059 4.397629
176.1880 4.144211
176.6702 3.953226
177.1523 3.912884
177.6344 3.884068
178.1165 3.707922
178.5986 3.385031
179.0807 2.952507
179.5629 2.372110
180.0450 1.696215
180.5271 1.056602
181.0092 0.4811950
181.4913 3.0947000E-02
181.9734 0.4860360
182.4556 0.8856200
182.9377 1.193800
183.4198 1.337633
183.9019 1.353277
184.3840 1.367950
184.8661 1.492846
185.3483 1.639811
185.8304 1.573412
186.3125 1.277159
186.7946 0.9067170
187.2767 0.6147310
187.7588 0.3914110
188.2409 0.1990890
188.7231 6.6496000E-02
189.2052 4.3965999E-02
189.6873 0.2869800
190.1694 0.6809480
190.6515 1.135607
191.1336 1.577948
191.6158 2.004198
192.0979 2.336187
192.5800 2.497149
193.0621 2.509403
193.5442 2.579542
194.0263 2.743433
194.5085 2.876997
194.9906 2.782923
195.4727 2.459539
195.9548 2.058954
196.4369 1.604004
196.9190 1.103304
197.4012 0.7088890
197.8833 0.4289890
198.3654 0.2361530
198.8475 0.1017110
199.3296 2.5818000E-02
199.8117 5.9910002E-03
200.2939 4.7189998E-03
200.7760 5.7766002E-02
201.2581 0.1359920
201.7402 0.2413750
202.2223 0.3678740
202.7044 0.5259340
203.1866 0.7292650
203.6687 0.8803230
204.1508 0.9137880
204.6329 0.8158650
205.1150 0.7473220
205.5971 0.7087540
206.0793 0.7014690
206.5614 0.7330440
207.0435 0.8085540
207.5256 0.9034880
208.0077 1.013348
208.4898 1.143013
208.9720 1.242321
209.4541 1.271349
209.9362 1.305933
210.4183 1.527441
210.9004 1.987585
211.3825 2.477919
211.8647 2.909428
212.3468 3.268328
212.8289 3.629223
213.3110 3.993221
213.7931 4.360559
214.2752 4.736626
214.7574 5.151182
215.2395 5.511105
215.7216 5.804811
216.2037 6.071917
216.6858 6.100277
217.1679 5.818232
217.6501 5.336838
218.1322 4.924870
218.6143 4.619349
219.0964 4.298536
219.5785 3.887571
220.0606 3.301233
220.5428 2.883602
221.0249 2.672323
221.5070 2.615463
221.9891 2.612789
222.4712 2.712252
222.9533 2.776545
223.4355 2.722713
223.9176 2.467083
224.3997 2.329550
224.8818 2.314709
225.3639 2.414074
225.8460 2.623394
226.3282 2.989334
226.8103 3.383394
227.2924 3.724815
227.7745 3.943243
228.2566 4.319248
228.7387 4.888340
229.2209 5.601223
229.7030 6.314978
230.1851 6.969179
230.6672 7.737183
231.1493 8.720592
231.6314 10.04224
232.1136 11.25181
232.5957 12.34468
233.0778 13.33140
233.5599 14.22509
234.0420 15.09745
234.5241 15.76104
235.0063 16.13690
235.4884 16.20088
235.9705 16.03414
236.4526 15.60529
236.9347 14.95654
237.4168 14.14736
237.8990 13.06257
238.3811 12.00356
238.8632 11.10997
239.3453 10.46166
239.8274 9.692348
240.3095 8.744064
240.7917 7.703751
241.2738 6.749063
241.7559 5.917259
242.2380 5.132158
242.7201 4.345659
243.2022 3.492199
243.6844 2.881784
244.1665 2.623453
244.6486 2.539728
245.1307 2.325052
245.6128 1.911369
246.0949 1.489454
246.5771 1.092817
247.0592 0.6962780
247.5413 0.4004420
248.0234 0.2411990
248.5055 0.1625250
248.9876 7.5438999E-02
249.4697 5.3863999E-02
249.9519 0.1277960
250.4340 0.1017590
250.9161 5.1587999E-02
251.3982 0.1556890
251.8803 0.1680110
252.3624 0.1652450
252.8446 0.2546390
253.3267 0.4669610
253.8088 0.7120420
254.2909 0.9682620
254.7730 1.236372
255.2551 1.523386
255.7373 1.835674
256.2194 2.154217
256.7015 2.441818
257.1836 2.656937
257.6657 2.941101
258.1479 3.327639
258.6300 3.814928
259.1121 4.401747
259.5942 5.104420
260.0763 5.888622
260.5584 6.732693
261.0406 7.600103
261.5227 8.595650
262.0048 9.796831
262.4869 11.18707
262.9690 12.42108
263.4511 13.38508
263.9333 14.34705
264.4154 15.58099
264.8975 17.20116
265.3796 18.78911
265.8617 20.32072
266.3438 21.77278
266.8260 23.03668
267.3081 24.09931
267.7902 24.98390
268.2723 25.74914
268.7544 26.51240
269.2365 26.74341
269.7187 26.29268
270.2008 25.23997
270.6829 24.00592
271.1650 22.53443
271.6471 21.01701
272.1292 19.60800
272.6114 18.30079
273.0935 17.11013
273.5756 16.03307
274.0577 15.08695
274.5398 14.32177
275.0219 13.75420
275.5041 13.32912
275.9862 13.00083
276.4683 12.75994
276.9504 12.70196
277.4325 12.85754
277.9146 13.18094
278.3968 13.56642
278.8788 14.01264
279.3610 14.51984
279.8431 15.10822
280.3252 15.77693
280.8073 16.42287
281.2894 17.04366
281.7715 17.63663
282.2537 18.22596
282.7358 18.82443
283.2179 19.30086
283.7000 19.60205
284.1821 19.72825
284.6642 19.66721
285.1464 19.40585
285.6285 18.99009
286.1106 18.50823
286.5927 17.95999
287.0748 17.23667
287.5569 16.19921
288.0391 14.90066
288.5212 13.76553
289.0033 12.81587
289.4854 11.90600
289.9675 10.82829
290.4496 9.595104
290.9318 8.410465
291.4139 7.338081
291.8960 6.360130
292.3781 5.424950
292.8602 4.519299
293.3423 3.711617
293.8245 3.097033
294.3066 2.644526
294.7887 2.208469
295.2708 1.757322
295.7529 1.290878
296.2350 0.7709940
296.7172 0.2012350
297.1993 0.2875290
297.6814 0.5557350
298.1635 0.6570990
298.6456 0.7363830
299.1277 0.8205700
299.6099 0.9119950
300.0920 1.048521
300.5741 1.216715
301.0562 1.307158
301.5383 1.171865
302.0204 0.9160920
302.5026 0.7539440
302.9847 0.7625640
303.4668 0.7945310
303.9489 0.6604770
304.4310 0.3993300
304.9131 0.1456320
305.3953 7.7629000E-02
305.8774 3.3634000E-02
306.3595 0.2361910
306.8416 0.8115410
307.3237 1.415033
307.8058 1.760618
308.2880 1.952030
308.7701 2.216373
309.2522 2.742664
309.7343 3.338367
310.2164 3.801460
310.6985 4.105280
311.1807 4.451113
311.6628 5.031763
312.1449 5.737524
312.6270 6.383104
313.1091 6.825895
313.5912 7.243376
314.0734 7.759594
314.5555 8.376593
315.0376 9.005432
315.5197 9.632973
316.0018 10.24041
316.4839 10.79224
316.9661 11.29311
317.4482 11.72869
317.9303 12.06929
318.4124 12.32524
318.8945 12.57426
319.3766 12.83514
319.8588 13.10355
320.3409 13.37453
320.8230 13.66556
321.3051 13.93699
321.7872 14.22066
322.2693 14.48388
322.7515 14.62690
323.2336 14.50541
323.7157 14.34902
324.1978 14.26518
324.6799 14.28117
325.1620 14.34378
325.6442 14.48692
326.1263 14.66731
326.6084 14.80812
327.0905 14.79136
327.5726 14.83519
328.0547 15.00720
328.5369 15.32807
329.0190 15.71530
329.5011 16.21601
329.9832 16.75876
330.4653 17.25899
330.9474 17.62793
331.4296 18.06565
331.9117 18.62673
332.3938 19.31522
332.8759 19.99774
333.3580 20.65090
333.8401 21.32934
334.3223 22.07165
334.8044 22.90879
335.2865 23.76472
335.7686 24.65099
336.2507 25.55311
336.7328 26.34783
337.2150 27.03438
337.6971 27.62477
338.1792 28.14937
338.6613 28.63283
339.1434 28.93704
339.6255 29.06825
340.1077 29.00310
340.5898 28.67678
341.0719 28.08214
341.5540 27.28621
342.0361 26.31569
342.5182 25.16586
343.0004 23.86035
343.4825 22.37467
343.9646 20.81983
344.4467 19.33016
344.9288 17.92342
345.4109 16.66621
345.8931 15.67704
346.3752 14.86252
346.8573 13.81888
347.3394 12.50340
347.8215 11.23747
348.3036 10.37750
348.7858 9.856123
349.2679 9.339245
349.7500 8.698669
350.2321 8.060972
350.7142 7.704012
351.1964 7.607626
351.6785 7.564995
352.1606 7.387026
352.6427 7.164942
353.1248 7.090389
353.6069 7.225231
354.0891 7.423021
354.5712 7.542770
355.0533 7.588381
355.5354 7.598110
356.0175 7.591812
356.4996 7.574116
356.9818 7.546310
357.4639 7.507519
357.9460 7.462505
358.4281 7.404613
358.9102 7.348291
359.3923 7.321661
359.8745 7.333143
360.3566 7.392052
360.8387 7.479195
361.3208 7.590689
361.8029 7.770565
362.2850 8.083605
362.7672 8.444408
363.2493 8.782131
363.7314 9.050758
364.2135 9.353525
364.6956 9.776451
365.1777 10.25141
365.6599 10.59371
366.1420 10.66951
366.6241 10.68268
367.1062 10.72022
367.5883 10.78165
368.0704 10.89016
368.5526 11.01197
369.0347 11.18970
369.5168 11.49033
369.9989 12.00819
370.4810 12.55463
370.9631 13.10611
371.4453 13.66873
371.9274 14.17835
372.4095 14.53323
372.8916 14.91474
373.3737 15.49638
373.8558 16.40284
374.3380 17.26314
374.8201 18.03116
375.3022 18.72090
375.7843 19.40164
376.2664 20.11481
376.7485 20.74622
377.2307 21.22798
377.7128 21.55525
378.1949 21.77495
378.6770 21.86467
379.1591 21.88077
379.6412 21.90338
380.1234 21.92594
380.6055 22.02328
381.0876 22.28086
381.5697 22.66121
382.0518 22.86647
382.5339 22.86036
383.0161 22.87765
383.4982 23.23222
383.9803 23.86445
384.4624 24.44408
384.9445 24.88415
385.4266 25.21006
385.9088 25.49176
386.3909 25.72103
386.8730 25.83076
387.3551 25.80637
387.8372 25.62381
388.3193 25.23369
388.8015 24.61110
389.2836 23.82274
389.7657 22.88012
390.2478 21.80902
390.7299 20.69918
391.2120 19.46090
391.6942 18.28332
392.1763 17.35744
392.6584 16.72008
393.1405 16.17033
393.6226 15.61320
394.1047 15.07162
394.5869 14.58570
395.0690 14.16559
395.5511 13.80853
396.0332 13.53772
396.5153 13.32902
396.9974 13.09563
397.4796 12.75722
397.9617 12.44419
398.4438 12.22252
398.9259 12.09921
399.4080 12.06784
399.8901 12.16184
400.3723 12.34441
400.8544 12.54950
401.3365 12.87979
401.8186 13.11351
402.3007 13.18448
402.7828 13.07875
403.2649 12.93437
403.7470 12.76391
404.2292 12.53952
404.7113 12.24534
405.1934 11.89077
405.6755 11.42700
406.1576 10.83396
406.6397 10.13468
407.1219 9.420729
407.6040 8.698091
408.0861 7.936227
408.5682 7.067106
409.0503 6.109037
409.5324 5.289946
410.0146 4.639674
410.4967 4.071653
410.9788 3.444072
411.4609 2.774973
411.9430 2.181815
412.4251 1.721867
412.9073 1.368237
413.3894 1.033965
413.8715 0.7187050
414.3536 0.4633630
414.8357 0.3188350
415.3178 0.2507790
415.8000 0.2047110
416.2821 0.1851640
416.7642 0.1479240
417.2463 1.9455999E-02
417.7284 0.1655050
418.2105 0.3091930
418.6927 0.3604150
419.1748 0.3540160
419.6569 0.2938410
420.1390 0.1701920
420.6211 8.8950999E-02
421.1032 0.1642010
421.5854 0.2816480
422.0675 0.3178710
422.5496 0.1808730
423.0317 2.0594001E-02
423.5138 0.1118430
423.9959 0.2252040
424.4781 0.3847360
424.9602 0.6443000
425.4423 0.9159410
425.9244 1.153509
426.4065 1.297030
426.8886 1.514836
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