#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:44:51 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1252 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000659.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_1000659
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 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            R060084.rod
_rod_data_source.block           3500000
_rod_database.code               1000659
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
120.4653 0.0000000E+00
120.9474 2.6690001E-02
121.4296 0.1867770
121.9117 0.3261070
122.3938 0.3801210
122.8759 0.3636170
123.3580 0.3907780
123.8401 0.4924890
124.3223 0.5428710
124.8044 0.5107860
125.2865 0.4301910
125.7686 0.4402370
126.2507 0.5360390
126.7328 0.5224930
127.2150 0.4575560
127.6971 0.2876220
128.1792 0.1444210
128.6613 0.1134680
129.1434 0.1767230
129.6255 0.2245520
130.1077 0.1569250
130.5898 1.3195000E-02
131.0719 0.1209010
131.5540 0.1523340
132.0361 0.1233670
132.5182 2.8811000E-02
133.0004 0.1478500
133.4825 0.3155820
133.9646 0.3594950
134.4467 0.3326630
134.9288 0.3525870
135.4109 0.4924340
135.8931 0.7217900
136.3752 0.9337860
136.8573 1.099669
137.3394 1.281757
137.8215 1.535089
138.3036 1.837067
138.7858 2.117073
139.2679 2.301773
139.7500 2.374170
140.2321 2.487997
140.7142 2.688486
141.1963 2.895796
141.6785 3.098936
142.1606 3.285078
142.6427 3.431683
143.1248 3.504782
143.6069 3.468178
144.0890 3.433765
144.5712 3.333649
145.0533 3.276814
145.5354 3.371298
146.0175 3.636934
146.4996 3.969242
146.9817 4.176075
147.4639 4.074549
147.9460 4.145521
148.4281 4.527468
148.9102 5.057291
149.3923 5.531357
149.8744 5.869888
150.3566 6.126921
150.8387 6.422905
151.3208 6.746771
151.8029 7.116812
152.2850 7.552488
152.7671 8.043159
153.2493 8.549015
153.7314 9.060244
154.2135 9.576363
154.6956 10.10816
155.1777 10.67619
155.6598 11.20577
156.1420 11.62096
156.6241 11.91630
157.1062 12.18872
157.5883 12.50380
158.0704 12.79560
158.5525 12.99596
159.0347 13.07877
159.5168 13.09211
159.9989 13.08266
160.4810 12.99520
160.9631 13.03162
161.4452 13.38337
161.9274 13.81265
162.4095 14.08319
162.8916 14.07508
163.3737 13.87584
163.8558 13.77384
164.3379 13.87736
164.8201 13.94045
165.3022 13.89604
165.7843 13.79485
166.2664 13.70466
166.7485 13.66644
167.2306 13.67311
167.7128 13.66236
168.1949 13.65860
168.6770 13.61229
169.1591 13.53443
169.6412 13.40555
170.1233 13.18031
170.6055 12.81762
171.0876 12.31836
171.5697 11.87536
172.0518 11.45410
172.5339 11.10528
173.0160 10.92674
173.4982 10.87611
173.9803 10.76166
174.4624 10.43687
174.9445 9.889517
175.4266 9.288162
175.9087 8.581306
176.3909 7.851759
176.8730 7.166368
177.3551 6.527983
177.8372 5.913254
178.3193 5.296209
178.8014 4.688129
179.2836 4.139502
179.7657 3.660545
180.2478 3.245646
180.7299 2.890289
181.2120 2.607107
181.6941 2.352764
182.1763 2.073154
182.6584 1.812380
183.1405 1.635998
183.6226 1.605326
184.1047 1.683157
184.5868 1.746162
185.0690 1.767239
185.5511 1.818725
186.0332 1.945595
186.5153 2.121324
186.9974 2.293741
187.4795 2.411714
187.9617 2.484253
188.4438 2.638951
188.9259 2.980273
189.4080 3.293206
189.8901 3.496018
190.3722 3.622862
190.8544 3.746056
191.3365 3.932307
191.8186 4.193534
192.3007 4.404661
192.7828 4.469807
193.2649 4.557013
193.7471 4.783662
194.2292 5.100359
194.7113 5.350010
195.1934 5.364861
195.6755 5.082672
196.1576 4.968947
196.6398 5.125406
197.1219 5.323485
197.6040 5.445124
198.0861 5.488564
198.5682 5.525703
199.0503 5.628981
199.5325 5.817949
200.0146 6.004183
200.4967 6.195522
200.9788 6.378365
201.4609 6.549498
201.9430 6.706881
202.4252 6.834654
202.9073 6.898865
203.3894 6.889880
203.8715 6.970763
204.3536 7.246131
204.8357 7.559169
205.3179 7.738101
205.8000 7.756174
206.2821 7.762741
206.7642 7.935575
207.2463 8.242820
207.7284 8.473965
208.2106 8.547746
208.6927 8.537558
209.1748 8.524447
209.6569 8.501351
210.1390 8.528141
210.6211 8.707764
211.1033 8.983870
211.5854 9.219089
212.0675 9.367813
212.5496 9.441298
213.0317 9.480682
213.5138 9.526029
213.9960 9.445266
214.4781 9.110249
214.9602 8.602671
215.4423 8.079215
215.9244 7.621861
216.4065 7.212904
216.8886 6.784131
217.3708 6.282778
217.8529 5.846132
218.3350 5.531084
218.8171 5.314198
219.2992 5.150431
219.7813 5.015972
220.2635 4.911266
220.7456 4.845219
221.2277 4.857046
221.7098 4.862701
222.1919 4.827960
222.6740 4.768711
223.1562 4.714964
223.6383 4.690645
224.1204 4.691793
224.6025 4.667744
225.0846 4.569767
225.5667 4.497354
226.0489 4.477495
226.5310 4.499269
227.0131 4.546180
227.4952 4.612822
227.9773 4.694849
228.4594 4.722813
228.9416 4.618059
229.4237 4.538594
229.9058 4.550255
230.3879 4.612622
230.8700 4.651684
231.3521 4.618484
231.8343 4.515142
232.3164 4.376575
232.7985 4.220689
233.2806 4.014838
233.7627 3.717750
234.2448 3.363007
234.7270 3.020262
235.2091 2.738769
235.6912 2.506035
236.1733 2.198753
236.6554 1.707895
237.1375 1.271807
237.6197 1.001810
238.1018 0.8458170
238.5839 0.6704150
239.0660 0.3873840
239.5481 3.2437999E-02
240.0302 0.1934300
240.5124 0.2354970
240.9945 0.2381270
241.4766 0.2345380
241.9587 0.2281750
242.4408 0.2270340
242.9229 0.2371450
243.4051 0.2535740
243.8872 0.2599680
244.3693 0.2541220
244.8514 0.2436210
245.3335 0.2338770
245.8156 0.2224790
246.2978 0.1980010
246.7799 0.1466940
247.2620 8.9725003E-02
247.7441 7.0494004E-02
248.2262 9.2610002E-02
248.7083 0.1374720
249.1905 0.2344710
249.6726 0.3565190
250.1547 0.3963370
250.6368 0.2832240
251.1189 0.1029920
251.6010 9.5469998E-03
252.0832 4.9830999E-02
252.5653 5.8336999E-02
253.0474 5.1534001E-02
253.5295 3.0303000E-02
254.0116 7.5160000E-03
254.4937 8.3797000E-02
254.9759 0.1489130
255.4580 0.1525050
255.9401 9.4742000E-02
256.4222 1.4050000E-03
256.9043 0.1415400
257.3864 0.3178080
257.8686 0.4384000
258.3507 0.4618760
258.8328 0.4532560
259.3149 0.4566720
259.7970 0.4745910
260.2791 0.5291060
260.7613 0.6712570
261.2434 0.8768530
261.7255 1.007437
262.2076 1.024066
262.6897 0.9867320
263.1718 0.8995070
263.6540 0.7879290
264.1361 0.7400070
264.6182 0.8561260
265.1003 1.102533
265.5824 1.283009
266.0645 1.403934
266.5467 1.431311
267.0288 1.301887
267.5109 1.078835
267.9930 0.9020340
268.4751 0.8839940
268.9572 0.9811480
269.4394 0.9865820
269.9215 0.8327810
270.4036 0.6849420
270.8857 0.5975090
271.3678 0.5586620
271.8499 0.5537620
272.3321 0.5839490
272.8142 0.6351250
273.2963 0.6538800
273.7784 0.6082540
274.2605 0.5840100
274.7426 0.6251570
275.2248 0.6913970
275.7069 0.7296410
276.1890 0.7116280
276.6711 0.6652490
277.1532 0.6655550
277.6353 0.7417580
278.1175 0.8120370
278.5996 0.8755110
279.0817 0.9195750
279.5638 0.9310270
280.0459 0.9050220
280.5280 0.8499430
281.0102 0.7780850
281.4923 0.6782680
281.9744 0.5859950
282.4565 0.4979110
282.9386 0.4220640
283.4207 0.3675190
283.9029 0.3357700
284.3850 0.3180650
284.8671 0.3018670
285.3492 0.2865650
285.8313 0.2745410
286.3134 0.2842730
286.7956 0.2832840
287.2777 0.2284450
287.7598 0.1276440
288.2419 4.4863001E-02
288.7240 6.9293000E-02
289.2061 0.2491940
289.6883 0.3575970
290.1704 0.3196210
290.6525 0.2815390
291.1346 0.3086990
291.6167 0.4011010
292.0988 0.5262580
292.5810 0.6611810
293.0631 0.8106700
293.5452 0.9148960
294.0273 0.8613030
294.5094 0.8741140
294.9915 1.090144
295.4737 1.436637
295.9558 1.743803
296.4379 1.881316
296.9200 1.863129
297.4021 1.901458
297.8842 2.067106
298.3664 2.207513
298.8485 2.267363
299.3306 2.288112
299.8127 2.331981
300.2948 2.433121
300.7769 2.581930
301.2591 2.741858
301.7412 2.919387
302.2233 3.103148
302.7054 3.278760
303.1875 3.463873
303.6696 3.692530
304.1518 3.977037
304.6339 4.279823
305.1160 4.514297
305.5981 4.563932
306.0802 4.711908
306.5623 5.061415
307.0445 5.438248
307.5266 5.684987
308.0087 5.776200
308.4908 5.825598
308.9729 5.986357
309.4550 6.292616
309.9372 6.612118
310.4193 6.994456
310.9014 7.348316
311.3835 7.599455
311.8656 7.754221
312.3477 7.882073
312.8299 8.061875
313.3120 8.320809
313.7941 8.489222
314.2762 8.489594
314.7583 8.490459
315.2404 8.577487
315.7226 8.723879
316.2047 8.844367
316.6868 8.869440
317.1689 8.808531
317.6510 8.812744
318.1331 8.972065
318.6153 9.096696
319.0974 9.127992
319.5795 9.102021
320.0616 9.089885
320.5437 9.131803
321.0258 9.186049
321.5080 9.110076
321.9901 8.729651
322.4722 8.433074
322.9543 8.272578
323.4364 8.189640
323.9185 8.145884
324.4007 8.123478
324.8828 8.090084
325.3649 7.984221
325.8470 7.739246
326.3291 7.548158
326.8112 7.456551
327.2934 7.376624
327.7755 7.251705
328.2576 7.073101
328.7397 6.861849
329.2218 6.637712
329.7039 6.397297
330.1861 6.157679
330.6682 5.899415
331.1503 5.659546
331.6324 5.465885
332.1145 5.305212
332.5966 5.144951
333.0788 4.960224
333.5609 4.752275
334.0430 4.543852
334.5251 4.316576
335.0072 4.107201
335.4893 3.923641
335.9715 3.762980
336.4536 3.614812
336.9357 3.473728
337.4178 3.353386
337.8999 3.303894
338.3820 3.404576
338.8642 3.459169
339.3463 3.442095
339.8284 3.382435
340.3105 3.288492
340.7926 3.168760
341.2747 3.058078
341.7568 3.010224
342.2390 3.042021
342.7211 3.098425
343.2032 3.187995
343.6853 3.291093
344.1674 3.412615
344.6495 3.542226
345.1317 3.648859
345.6138 3.693419
346.0959 3.669184
346.5780 3.696987
347.0601 3.833986
347.5422 3.970901
348.0244 4.092840
348.5065 4.192436
348.9886 4.259277
349.4707 4.283463
349.9528 4.276026
350.4349 4.282251
350.9171 4.329712
351.3992 4.382353
351.8813 4.474730
352.3634 4.527550
352.8455 4.436350
353.3276 4.162390
353.8098 3.817472
354.2919 3.590661
354.7740 3.527678
355.2561 3.444071
355.7382 3.302732
356.2203 3.148612
356.7025 3.000028
357.1846 2.862391
357.6667 2.740619
358.1488 2.647801
358.6309 2.586401
359.1130 2.502588
359.5952 2.370237
360.0773 2.244314
360.5594 2.136507
361.0415 2.052413
361.5236 2.004457
362.0057 2.010431
362.4879 2.050223
362.9700 2.063997
363.4521 2.050816
363.9342 2.011893
364.4163 1.922654
364.8984 1.821351
365.3806 1.757475
365.8627 1.751955
366.3448 1.745900
366.8269 1.642775
367.3090 1.426035
367.7911 1.263242
368.2733 1.242803
368.7554 1.249576
369.2375 1.194487
369.7196 1.076884
370.2017 0.9605970
370.6838 0.9012100
371.1660 0.8851830
371.6481 0.8479410
372.1302 0.7785600
372.6123 0.6980220
373.0944 0.6110990
373.5765 0.5243300
374.0587 0.4521360
374.5408 0.4025940
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375.5050 0.3480190
375.9871 0.3407950
376.4692 0.3270020
376.9514 0.2807600
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377.9156 0.2181250
378.3977 0.2547130
378.8798 0.3099190
379.3619 0.3871440
379.8441 0.4718680
380.3262 0.4893580
380.8083 0.3898760
381.2904 0.2654800
381.7725 0.2252300
382.2546 0.2634750
382.7368 0.3467570
383.2189 0.5023330
383.7010 0.6818310
384.1831 0.8280460
384.6652 0.9374510
385.1473 1.001004
385.6295 0.9867330
386.1116 0.9021110
386.5937 0.8424250
387.0758 0.8009450
387.5579 0.7885840
388.0400 0.8508780
388.5222 0.9611890
389.0043 1.020926
389.4864 0.9695220
389.9685 0.8574370
390.4506 0.8276860
390.9327 0.9263010
391.4149 1.008246
391.8970 1.058156
392.3791 1.078472
392.8612 1.041801
393.3433 0.9432070
393.8254 0.8410970
394.3076 0.8102540
394.7897 0.8760610
395.2718 0.9181050
395.7539 0.9169590
396.2360 0.9138170
396.7181 0.9436700
397.2003 0.9930350
397.6824 1.023332
398.1645 1.011048
398.6466 0.9561130
399.1287 0.8599830
399.6108 0.6127730
400.0930 0.4509730
400.5751 0.4864820
401.0572 0.5869670
401.5393 0.5993930
402.0214 0.4817260
402.5035 0.3178050
402.9857 0.2366450
403.4678 0.2851780
403.9499 0.2812430
404.4320 0.1643310
404.9141 5.7319999E-02
405.3962 3.0778000E-02
405.8784 6.9577001E-02
406.3605 0.1223530
406.8426 0.1625900
407.3247 0.1795740
407.8068 8.1593998E-02
408.2889 0.2743370
408.7711 0.5357800
409.2532 0.6299840
409.7353 0.5984300
410.2174 0.4521660
410.6995 0.1946040
411.1816 7.5107999E-02
411.6638 0.1908630
412.1459 0.1124910
412.6280 9.6681997E-02
413.1101 0.2182220
413.5922 0.3796050
414.0743 0.5385780
414.5565 0.6911980
415.0386 0.8422090
415.5207 1.008425
416.0028 1.175637
416.4849 1.279906
416.9670 1.289559
417.4492 1.315735
417.9313 1.455694
418.4134 1.634526
418.8955 1.751338
419.3776 1.765059
419.8597 1.751862
420.3419 1.772901
420.8240 1.828169
421.3061 1.927303
421.7882 2.104856
422.2703 2.283393
422.7524 2.346765
423.2346 2.299030
423.7167 2.295150
424.1988 2.451760
424.6809 2.656443
425.1630 2.738867
425.6451 2.681939
426.1273 2.622023
426.6094 2.665866
427.0915 2.791759
427.5736 2.865209
428.0557 2.851598
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