#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:28:34 +0300 (Thu, 26 Apr 2018) $
#$Revision: 476 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100006.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_8100006
loop_
_publ_author_name
'Araki, T.'
'Zoltai, T.'
_publ_section_title
;
 Crystal structure of babingtonite Locality: Yakuki mine, Japan
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              355
_journal_page_last               373
_journal_volume                  135
_journal_year                    1972
_chemical_compound_source        R060093
_chemical_formula_sum            'Ca2 Fe1.856 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                91.433
_cell_angle_beta                 93.886
_cell_angle_gamma                104.255
_cell_length_a                   7.509
_cell_length_b                   11.697
_cell_length_c                   6.719
_cell_volume                     570.132
_exptl_crystal_density_diffrn    3.287
_cod_original_formula_sum        'Ca2 Fe1.856 Si5 O15'
_cod_database_code               9008208
_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            R060093.rod
_rod_data_source.block           3500000
_rod_database.code               8100006
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 9008208 COD http://www.crystallography.net/cod/9008208.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
120.4653 0.0000000E+00
120.9474 0.1632980
121.4296 1.024492
121.9117 2.331688
122.3938 4.000416
122.8759 5.831577
123.3580 7.236753
123.8401 8.079529
124.3223 8.676502
124.8044 8.817266
125.2865 8.570034
125.7686 8.049156
126.2507 7.323343
126.7328 6.448780
127.2150 5.933765
127.6971 5.892841
128.1792 5.432306
128.6613 4.697359
129.1434 3.951139
129.6255 3.300289
130.1077 2.773972
130.5898 2.365280
131.0719 1.972881
131.5540 1.592602
132.0361 1.223345
132.5182 0.8542860
133.0004 0.4794540
133.4825 0.1356830
133.9646 0.1993540
134.4467 0.4661980
134.9288 0.5135100
135.4109 0.2547720
135.8931 0.2506940
136.3752 0.8282150
136.8573 1.566523
137.3394 2.365507
137.8215 3.210903
138.3036 4.197264
138.7858 5.120935
139.2679 5.816366
139.7500 6.326126
140.2321 7.111713
140.7142 8.546616
141.1963 9.989937
141.6785 11.33474
142.1606 12.47838
142.6427 13.26600
143.1248 13.48428
143.6069 13.03075
144.0890 12.12598
144.5712 10.52632
145.0533 8.733194
145.5354 6.981018
146.0175 5.372334
146.4996 3.967930
146.9817 2.887787
147.4639 2.296476
147.9460 1.807646
148.4281 1.396391
148.9102 1.082119
149.3923 0.9183200
149.8744 0.9451310
150.3566 1.069588
150.8387 1.078531
151.3208 0.9773850
151.8029 0.8078990
152.2850 0.5047550
152.7671 0.1210540
153.2493 0.1401820
153.7314 0.1448650
154.2135 1.8393001E-02
154.6956 1.1593000E-02
155.1777 0.1749060
155.6598 0.3440550
156.1420 0.3877700
156.6241 0.3033120
157.1062 0.1593170
157.5883 6.0555000E-02
158.0704 0.3211140
158.5525 0.5819300
159.0347 0.8193970
159.5168 0.9250950
159.9989 1.195278
160.4810 1.403131
160.9631 1.558174
161.4452 1.427021
161.9274 1.716202
162.4095 1.872068
162.8916 2.046684
163.3737 2.467194
163.8558 2.506052
164.3379 2.973230
164.8201 3.304600
165.3022 3.734667
165.7843 4.030020
166.2664 4.399240
166.7485 4.952738
167.2306 5.442261
167.7128 5.957966
168.1949 6.589493
168.6770 7.234735
169.1591 7.952425
169.6412 8.699821
170.1233 9.396240
170.6055 9.984720
171.0876 10.46815
171.5697 10.88564
172.0518 11.20588
172.5339 11.50462
173.0160 11.79431
173.4982 12.08473
173.9803 12.42854
174.4624 12.92475
174.9445 13.53159
175.4266 13.82892
175.9087 13.79336
176.3909 13.47158
176.8730 12.85101
177.3551 11.92586
177.8372 10.85431
178.3193 9.745123
178.8014 8.578403
179.2836 7.461357
179.7657 6.379282
180.2478 5.367935
180.7299 4.465321
181.2120 3.673046
181.6941 3.007187
182.1763 2.494766
182.6584 2.105021
183.1405 1.811127
183.6226 1.616030
184.1047 1.507162
184.5868 1.449120
185.0690 1.464758
185.5511 1.498663
186.0332 1.532743
186.5153 1.570808
186.9974 1.613331
187.4795 1.660200
187.9617 1.715076
188.4438 1.792521
188.9259 1.894638
189.4080 2.009727
189.8901 2.136061
190.3722 2.269764
190.8544 2.410585
191.3365 2.570412
191.8186 2.747227
192.3007 2.794397
192.7828 2.701431
193.2649 2.543116
193.7471 2.299667
194.2292 1.985003
194.7113 1.661081
195.1934 1.380384
195.6755 1.126675
196.1576 0.9475170
196.6398 0.8726580
197.1219 0.8429640
197.6040 0.8086570
198.0861 0.7789340
198.5682 0.8222270
199.0503 1.024031
199.5325 1.431391
200.0146 1.708681
200.4967 1.729769
200.9788 1.726618
201.4609 1.862404
201.9430 2.150049
202.4252 2.487026
202.9073 2.781868
203.3894 3.028809
203.8715 3.270187
204.3536 3.492771
204.8357 3.718279
205.3179 3.950857
205.8000 4.190592
206.2821 4.478006
206.7642 4.860817
207.2463 5.333090
207.7284 5.862711
208.2106 6.414110
208.6927 7.030827
209.1748 7.781628
209.6569 8.689213
210.1390 9.680523
210.6211 10.81194
211.1033 11.99151
211.5854 12.98359
212.0675 13.74783
212.5496 14.26121
213.0317 14.46863
213.5138 14.32859
213.9960 13.94617
214.4781 13.31609
214.9602 12.52797
215.4423 11.75834
215.9244 11.20720
216.4065 10.74801
216.8886 9.846846
217.3708 8.103016
217.8529 6.517725
218.3350 5.541626
218.8171 5.023205
219.2992 4.675701
219.7813 4.354752
220.2635 4.059826
220.7456 3.797413
221.2277 3.591696
221.7098 3.394598
222.1919 3.191401
222.6740 2.985712
223.1562 2.778423
223.6383 2.560843
224.1204 2.340254
224.6025 2.207607
225.0846 2.228065
225.5667 2.280607
226.0489 2.318329
226.5310 2.369589
227.0131 2.482994
227.4952 2.691061
227.9773 2.991501
228.4594 3.379049
228.9416 3.917974
229.4237 4.478901
229.9058 5.066603
230.3879 5.653811
230.8700 6.207891
231.3521 6.718658
231.8343 7.178249
232.3164 7.438604
232.7985 7.478149
233.2806 7.363642
233.7627 7.056108
234.2448 6.605101
234.7270 6.090332
235.2091 5.554916
235.6912 5.004122
236.1733 4.491510
236.6554 4.053928
237.1375 3.603609
237.6197 3.073639
238.1018 2.508854
238.5839 2.008423
239.0660 1.636709
239.5481 1.372263
240.0302 1.091854
240.5124 0.7182100
240.9945 0.4115620
241.4766 0.2678910
241.9587 0.2405450
242.4408 0.2107180
242.9229 0.1142650
243.4051 2.4374001E-02
243.8872 0.1219750
244.3693 0.1537530
244.8514 0.1870380
245.3335 0.2644790
245.8156 0.3687920
246.2978 0.4454110
246.7799 0.4660010
247.2620 0.4482040
247.7441 0.4325120
248.2262 0.4165610
248.7083 0.4071020
249.1905 0.4033760
249.6726 0.4079480
250.1547 0.4352140
250.6368 0.5051070
251.1189 0.5832960
251.6010 0.6296470
252.0832 0.6547170
252.5653 0.6197420
253.0474 0.4523280
253.5295 0.1894840
254.0116 1.2190000E-03
254.4937 2.8215000E-02
254.9759 1.0019000E-02
255.4580 7.1122997E-02
255.9401 0.2125550
256.4222 0.3816470
256.9043 0.5371150
257.3864 0.6893120
257.8686 0.8891960
258.3507 1.140816
258.8328 1.454802
259.3149 1.855690
259.7970 2.332506
260.2791 2.786636
260.7613 3.103796
261.2434 3.322365
261.7255 3.682812
262.2076 4.313820
262.6897 4.956600
263.1718 5.436375
263.6540 5.783741
264.1361 6.109520
264.6182 6.516476
265.1003 6.975306
265.5824 7.329174
266.0645 7.614006
266.5467 7.712036
267.0288 7.536350
267.5109 7.158142
267.9930 6.731373
268.4751 6.347399
268.9572 5.990675
269.4394 5.569307
269.9215 4.980593
270.4036 4.488291
270.8857 4.233931
271.3678 4.120003
271.8499 3.987112
272.3321 3.729187
272.8142 3.408138
273.2963 3.247890
273.7784 3.319212
274.2605 3.447733
274.7426 3.560678
275.2248 3.697573
275.7069 3.908442
276.1890 4.220545
276.6711 4.608143
277.1532 4.976875
277.6353 5.187202
278.1175 5.663349
278.5996 6.426012
279.0817 7.269768
279.5638 7.922832
280.0459 8.389982
280.5280 8.416079
281.0102 8.781084
281.4923 8.869221
281.9744 8.849442
282.4565 8.974258
282.9386 8.546482
283.4207 8.466072
283.9029 8.106050
284.3850 7.697933
284.8671 7.334532
285.3492 6.948025
285.8313 6.532234
286.3134 6.096184
286.7956 5.628605
287.2777 5.095600
287.7598 4.509249
288.2419 3.930634
288.7240 3.430143
289.2061 3.027748
289.6883 2.645962
290.1704 2.282515
290.6525 1.940563
291.1346 1.612061
291.6167 1.303770
292.0988 1.037611
292.5810 0.8356400
293.0631 0.7018260
293.5452 0.5945680
294.0273 0.5410040
294.5094 0.4864350
294.9915 0.4101370
295.4737 0.3180410
295.9558 0.2217350
296.4379 0.1247980
296.9200 3.0567000E-02
297.4021 3.0700001E-04
297.8842 6.3417003E-02
298.3664 0.1613830
298.8485 0.3375470
299.3306 0.5310940
299.8127 0.6370240
300.2948 0.5896280
300.7769 0.4408740
301.2591 0.4006210
301.7412 0.6209490
302.2233 0.7752060
302.7054 0.7564830
303.1875 0.6841490
303.6696 0.7022550
304.1518 0.8703820
304.6339 0.9590490
305.1160 1.322807
305.5981 1.597986
306.0802 1.789408
306.5623 1.641459
307.0445 1.933819
307.5266 2.050116
308.0087 2.157915
308.4908 2.507010
308.9729 2.399708
309.4550 2.737982
309.9372 2.896362
310.4193 3.139242
310.9014 3.215874
311.3835 3.363194
311.8656 3.696932
312.3477 3.933792
312.8299 4.016119
313.3120 4.302322
313.7941 4.226908
314.2762 4.470406
314.7583 4.851248
315.2404 4.945463
315.7226 5.102360
316.2047 5.280342
316.6868 5.332804
317.1689 5.274376
317.6510 5.339487
318.1331 5.621138
318.6153 5.924030
319.0974 6.221972
319.5795 6.511862
320.0616 6.795033
320.5437 7.072165
321.0258 7.342327
321.5080 7.606760
321.9901 7.915829
322.4722 8.145741
322.9543 8.187202
323.4364 8.196445
323.9185 8.340557
324.4007 8.671106
324.8828 9.102915
325.3649 9.487183
325.8470 9.803221
326.3291 10.10887
326.8112 10.38997
327.2934 10.67452
327.7755 11.00316
328.2576 11.36888
328.7397 11.71709
329.2218 11.99213
329.7039 12.19336
330.1861 12.31802
330.6682 12.36824
331.1503 12.35278
331.6324 12.28211
332.1145 12.14885
332.5966 11.92125
333.0788 11.55870
333.5609 11.07520
334.0430 10.71442
334.5251 10.61788
335.0072 10.49394
335.4893 10.25556
335.9715 9.963078
336.4536 9.710447
336.9357 9.548016
337.4178 9.443188
337.8999 9.302881
338.3820 9.097305
338.8642 8.897217
339.3463 8.756895
339.8284 8.596815
340.3105 8.325114
340.7926 7.923396
341.2747 7.478616
341.7568 7.127747
342.2390 6.925691
342.7211 6.683727
343.2032 6.333687
343.6853 6.006399
344.1674 5.765184
344.6495 5.616795
345.1317 5.538836
345.6138 5.507748
346.0959 5.521095
346.5780 5.622210
347.0601 5.893837
347.5422 6.179556
348.0244 6.411665
348.5065 6.631212
348.9886 6.935390
349.4707 7.401253
349.9528 7.965314
350.4349 8.353346
350.9171 8.495524
351.3992 8.520331
351.8813 8.471359
352.3634 8.340370
352.8455 8.096808
353.3276 7.730488
353.8098 7.300602
354.2919 6.898807
354.7740 6.518798
355.2561 6.153231
355.7382 5.779837
356.2203 5.451111
356.7025 5.221055
357.1846 5.081499
357.6667 4.960705
358.1488 4.758641
358.6309 4.465570
359.1130 4.291874
359.5952 4.296883
360.0773 4.389211
360.5594 4.543758
361.0415 4.744438
361.5236 4.972658
362.0057 5.231475
362.4879 5.496355
362.9700 5.700638
363.4521 5.841459
363.9342 5.929251
364.4163 5.927882
364.8984 5.897907
365.3806 5.910086
365.8627 5.990494
366.3448 6.085277
366.8269 6.111732
367.3090 6.058453
367.7911 6.043198
368.2733 6.115058
368.7554 6.217945
369.2375 6.326703
369.7196 6.436003
370.2017 6.515712
370.6838 6.530235
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371.6481 6.463028
372.1302 6.440962
372.6123 6.436787
373.0944 6.454908
373.5765 6.494080
374.0587 6.555433
374.5408 6.654248
375.0229 6.765522
375.5050 6.858982
375.9871 6.935994
376.4692 6.979649
376.9514 6.959810
377.4335 6.910318
377.9156 6.874868
378.3977 6.848572
378.8798 6.859790
379.3619 6.945127
379.8441 7.090047
380.3262 7.233704
380.8083 7.363901
381.2904 7.480705
381.7725 7.575447
382.2546 7.648275
382.7368 7.740299
383.2189 7.899283
383.7010 8.071325
384.1831 8.193777
384.6652 8.261500
385.1473 8.253205
385.6295 8.143558
386.1116 7.932511
386.5937 7.673742
387.0758 7.374389
387.5579 7.023824
388.0400 6.575554
388.5222 6.063237
389.0043 5.590803
389.4864 5.208755
389.9685 4.896175
390.4506 4.607170
390.9327 4.334542
391.4149 4.089806
391.8970 3.901997
392.3791 3.731644
392.8612 3.508989
393.3433 3.223791
393.8254 2.963058
394.3076 2.832180
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395.2718 2.888361
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396.2360 2.972881
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397.2003 2.928513
397.6824 2.911304
398.1645 2.948002
398.6466 3.022049
399.1287 3.048651
399.6108 3.000959
400.0930 2.936332
400.5751 2.865706
401.0572 2.778391
401.5393 2.668098
402.0214 2.531239
402.5035 2.354246
402.9857 2.102412
403.4678 1.711251
403.9499 1.436517
404.4320 1.391269
404.9141 1.341789
405.3962 1.163223
405.8784 0.8760510
406.3605 0.5631140
406.8426 0.2750800
407.3247 1.9743999E-02
407.8068 0.1235300
408.2889 4.8386998E-02
408.7711 1.1205000E-02
409.2532 8.6127996E-02
409.7353 0.2165420
410.2174 0.3588550
410.6995 0.4977890
411.1816 0.5973680
411.6638 0.5813960
412.1459 0.4181590
412.6280 0.3120730
413.1101 0.3307720
413.5922 0.3821540
414.0743 0.4410340
414.5565 0.4941370
415.0386 0.5071540
415.5207 0.4187620
416.0028 0.2699610
416.4849 0.2226190
416.9670 0.3176470
417.4492 0.4120170
417.9313 0.4425560
418.4134 0.4245690
418.8955 0.3649030
419.3776 0.2507700
419.8597 0.1288420
420.3419 5.2717999E-02
420.8240 1.5819000E-02
421.3061 4.0534999E-02
421.7882 0.1251280
422.2703 0.2473090
422.7524 0.4232020
423.2346 0.6516680
423.7167 0.8874100
424.1988 1.128830
424.6809 1.361475
425.1630 1.535785
425.6451 1.645419
426.1273 1.824995
426.6094 2.202623
427.0915 2.738045
427.5736 3.179797
428.0557 3.418251
428.5378 3.682986
429.0200 4.102274
429.5021 4.617163
429.9842 5.102103
430.4663 5.511735
430.9484 5.888499
431.4305 6.305294
431.9127 6.799704
432.3948 7.240183
432.8769 7.669978
433.3590 8.009754
433.8411 8.204755
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