#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:22:47 +0300 (Thu, 24 May 2018) $
#$Revision: 692 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100018.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_8100018
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 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            R060093.rod
_rod_data_source.block           3500000
_rod_database.code               8100018
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
119.7804 0.0000000E+00
120.2625 6.0210999E-02
120.7446 1.8494001E-02
121.2267 0.6907540
121.7089 1.450600
122.1910 2.448971
122.6731 3.948536
123.1552 5.139320
123.6373 7.573662
124.1194 9.748348
124.6016 11.58384
125.0837 13.12340
125.5658 14.15812
126.0479 14.40856
126.5300 13.91112
127.0121 13.32812
127.4943 12.06287
127.9764 10.06705
128.4585 8.207157
128.9406 6.620098
129.4227 5.274605
129.9048 4.168335
130.3869 3.305569
130.8691 2.656071
131.3512 2.252472
131.8333 1.936058
132.3154 1.458309
132.7975 0.8512610
133.2796 0.2203140
133.7618 0.1969300
134.2439 0.4053570
134.7260 0.4011040
135.2081 0.1098250
135.6902 0.4757000
136.1723 1.142521
136.6545 1.818737
137.1366 2.392628
137.6187 3.082397
138.1008 4.157177
138.5829 5.609375
139.0650 7.344196
139.5472 9.455711
140.0293 11.52328
140.5114 13.18378
140.9935 14.25155
141.4756 15.89064
141.9577 18.44332
142.4399 21.65289
142.9220 24.38483
143.4041 26.99983
143.8862 28.61680
144.3683 28.55882
144.8504 26.42902
145.3326 23.52236
145.8147 19.72480
146.2968 15.06697
146.7789 11.24186
147.2610 8.385609
147.7431 6.185116
148.2253 4.347710
148.7074 2.913826
149.1895 1.795837
149.6716 1.038960
150.1537 0.6643100
150.6358 0.3982010
151.1180 0.3498690
151.6001 0.3612560
152.0822 0.2697180
152.5643 7.9350002E-02
153.0464 0.3753620
153.5285 0.5959550
154.0107 0.7837030
154.4928 0.7185550
154.9749 0.2675510
155.4570 0.4035990
155.9391 1.082897
156.4212 1.662193
156.9034 2.322842
157.3855 3.140163
157.8676 4.152386
158.3497 5.197361
158.8318 6.255280
159.3139 7.332878
159.7961 8.448349
160.2782 9.656799
160.7603 10.86855
161.2424 12.04345
161.7245 13.17386
162.2066 14.27455
162.6888 15.38545
163.1709 16.47261
163.6530 17.46009
164.1351 18.20603
164.6172 18.91088
165.0993 19.69177
165.5815 20.53822
166.0636 21.52066
166.5457 22.63377
167.0278 23.90383
167.5099 25.41493
167.9921 27.28028
168.4742 29.36873
168.9563 31.56225
169.4384 33.81989
169.9205 36.20211
170.4026 38.78099
170.8848 41.53873
171.3669 44.35729
171.8490 47.13672
172.3311 49.94780
172.8132 52.88042
173.2953 56.02901
173.7775 59.25536
174.2596 62.72785
174.7417 66.35998
175.2238 69.38427
175.7059 71.42280
176.1880 72.44849
176.6702 72.38484
177.1523 71.15676
177.6344 68.86594
178.1165 65.45532
178.5986 60.92182
179.0807 55.81332
179.5629 50.10405
180.0450 44.07065
180.5271 38.45850
181.0092 33.43824
181.4913 28.95616
181.9734 25.00493
182.4556 21.58509
182.9377 18.63486
183.4198 16.09894
183.9019 13.98880
184.3840 12.30222
184.8661 11.08350
185.3483 10.25608
185.8304 9.629131
186.3125 9.203808
186.7946 8.952908
187.2767 8.874680
187.7588 8.961380
188.2409 9.166897
188.7231 9.447121
189.2052 9.812138
189.6873 10.32792
190.1694 11.00282
190.6515 11.78949
191.1336 12.70502
191.6158 13.72236
192.0979 14.63595
192.5800 15.42936
193.0621 16.08385
193.5442 16.42910
194.0263 16.46400
194.5085 16.24624
194.9906 15.76456
195.4727 15.01392
195.9548 14.27872
196.4369 13.63118
196.9190 13.07861
197.4012 12.75602
197.8833 12.66520
198.3654 12.79712
198.8475 13.18625
199.3296 13.85111
199.8117 14.57541
200.2939 15.22836
200.7760 15.80288
201.2581 16.57162
201.7402 17.55608
202.2223 18.69616
202.7044 19.94273
203.1866 21.31693
203.6687 22.61737
204.1508 23.66937
204.6329 24.42664
205.1150 25.49284
205.5971 26.96371
206.0793 28.63630
206.5614 30.05997
207.0435 31.11060
207.5256 32.34489
208.0077 34.00595
208.4898 36.11871
208.9720 38.52095
209.4541 41.28005
209.9362 44.26255
210.4183 47.22003
210.9004 50.14949
211.3825 52.97407
211.8647 55.77889
212.3468 58.71996
212.8289 61.11264
213.3110 63.16295
213.7931 64.48042
214.2752 64.15462
214.7574 61.91612
215.2395 58.68818
215.7216 54.68368
216.2037 49.69850
216.6858 44.81160
217.1679 39.92723
217.6501 35.18631
218.1322 30.98201
218.6143 27.29104
219.0964 24.09615
219.5785 21.48000
220.0606 19.48933
220.5428 17.83339
221.0249 16.61790
221.5070 15.69114
221.9891 14.72106
222.4712 13.63843
222.9533 12.62099
223.4355 11.73972
223.9176 10.92556
224.3997 10.40838
224.8818 10.21862
225.3639 10.30703
225.8460 10.50595
226.3282 10.58496
226.8103 11.17403
227.2924 12.75852
227.7745 16.24152
228.2566 18.24972
228.7387 18.11366
229.2209 16.78643
229.7030 16.49714
230.1851 17.64827
230.6672 19.18450
231.1493 20.74532
231.6314 22.45360
232.1136 23.89001
232.5957 25.20847
233.0778 26.19448
233.5599 26.32048
234.0420 25.35275
234.5241 23.90633
235.0063 22.17961
235.4884 20.13154
235.9705 17.96794
236.4526 15.54264
236.9347 13.04150
237.4168 10.84013
237.8990 9.016594
238.3811 7.356777
238.8632 5.797752
239.3453 4.315521
239.8274 3.001194
240.3095 1.826828
240.7917 0.8204730
241.2738 5.2189000E-02
241.7559 0.3937070
242.2380 0.7318610
242.7201 1.030907
243.2022 1.300003
243.6844 1.494022
244.1665 1.577267
244.6486 1.607265
245.1307 1.696579
245.6128 1.927822
246.0949 2.079483
246.5771 2.071819
247.0592 1.871803
247.5413 1.637001
248.0234 1.341007
248.5055 1.029991
248.9876 0.7964440
249.4697 0.7185780
249.9519 0.5694500
250.4340 0.2430380
250.9161 0.3275260
251.3982 0.6866950
251.8803 0.6055150
252.3624 0.4975430
252.8446 1.011459
253.3267 2.581890
253.8088 3.913784
254.2909 4.578953
254.7730 4.468369
255.2551 4.573048
255.7373 4.952888
256.2194 5.486847
256.7015 6.001530
257.1836 6.409641
257.6657 6.999107
258.1479 7.875225
258.6300 9.045521
259.1121 10.21447
259.5942 11.35360
260.0763 12.52411
260.5584 13.82074
261.0406 15.22094
261.5227 16.76983
262.0048 18.50647
262.4869 20.41254
262.9690 22.37629
263.4511 24.44247
263.9333 26.48043
264.4154 28.39371
264.8975 30.25472
265.3796 31.82941
265.8617 33.09222
266.3438 34.03831
266.8260 34.75117
267.3081 35.31123
267.7902 35.48235
268.2723 35.02774
268.7544 33.85804
269.2365 32.36943
269.7187 30.54892
270.2008 28.44493
270.6829 26.36856
271.1650 24.25124
271.6471 22.32569
272.1292 20.84209
272.6114 19.85281
273.0935 18.96497
273.5756 18.09404
274.0577 17.31241
274.5398 16.89227
275.0219 16.89135
275.5041 17.07712
275.9862 17.28797
276.4683 17.50443
276.9504 17.92927
277.4325 18.63772
277.9146 19.51355
278.3968 20.26501
278.8788 20.87241
279.3610 21.44708
279.8431 22.09378
280.3252 22.81715
280.8073 23.33903
281.2894 23.61911
281.7715 23.73416
282.2537 23.88194
282.7358 24.09063
283.2179 24.06327
283.7000 23.62263
284.1821 22.77639
284.6642 21.76643
285.1464 20.57951
285.6285 19.26353
286.1106 17.89657
286.5927 16.47769
287.0748 14.94878
287.5569 13.21220
288.0391 11.30435
288.5212 9.519821
289.0033 7.843716
289.4854 6.310413
289.9675 4.957710
290.4496 3.780853
290.9318 2.787182
291.4139 2.027584
291.8960 1.439610
292.3781 0.7992940
292.8602 8.7337002E-02
293.3423 0.5330730
293.8245 0.8939820
294.3066 1.022198
294.7887 1.034832
295.2708 0.9193460
295.7529 0.7401500
296.2350 0.6491700
296.7172 0.6460270
297.1993 0.6283910
297.6814 0.5227390
298.1635 0.3350030
298.6456 9.2730999E-02
299.1277 0.1827700
299.6099 0.4879420
300.0920 0.8074490
300.5741 1.148499
301.0562 1.502968
301.5383 1.853500
302.0204 2.233864
302.5026 2.682232
302.9847 3.197689
303.4668 3.791451
303.9489 4.559101
304.4310 5.456680
304.9131 6.367176
305.3953 7.090202
305.8774 7.821854
306.3595 8.831013
306.8416 10.18872
307.3237 11.63466
307.8058 12.93324
308.2880 14.15384
308.7701 15.43576
309.2522 16.89182
309.7343 18.37406
310.2164 19.81036
310.6985 21.23181
311.1807 22.44004
311.6628 23.19210
312.1449 23.67591
312.6270 24.15311
313.1091 24.76020
313.5912 25.37959
314.0734 25.94035
314.5555 26.43820
315.0376 26.92819
315.5197 27.35406
316.0018 27.82238
316.4839 28.43211
316.9661 29.36002
317.4482 30.30508
317.9303 31.08149
318.4124 31.72536
318.8945 32.50301
319.3766 33.60225
319.8588 34.81950
320.3409 35.99924
320.8230 37.15855
321.3051 38.22386
321.7872 39.08294
322.2693 39.81630
322.7515 40.67060
323.2336 41.86216
323.7157 43.06997
324.1978 44.13263
324.6799 44.92444
325.1620 45.75949
325.6442 46.67616
326.1263 47.66252
326.6084 48.69732
327.0905 49.78953
327.5726 50.92013
328.0547 52.15487
328.5369 53.62545
329.0190 54.73262
329.5011 55.31260
329.9832 55.59286
330.4653 55.83433
330.9474 56.35004
331.4296 56.43957
331.9117 55.89750
332.3938 54.70003
332.8759 53.42669
333.3580 52.09312
333.8401 50.65404
334.3223 49.07312
334.8044 47.24002
335.2865 45.45193
335.7686 43.72341
336.2507 42.06181
336.7328 40.60160
337.2150 39.33451
337.6971 38.25621
338.1792 37.40393
338.6613 36.87915
339.1434 36.19081
339.6255 35.26013
340.1077 34.19156
340.5898 33.18086
341.0719 32.24708
341.5540 31.36779
342.0361 30.55903
342.5182 29.82025
343.0004 29.02120
343.4825 28.08500
343.9646 27.28835
344.4467 27.09891
344.9288 27.52102
345.4109 28.07672
345.8931 28.56116
346.3752 29.04626
346.8573 29.80401
347.3394 30.84597
347.8215 32.11702
348.3036 33.69094
348.7858 35.49325
349.2679 37.18394
349.7500 38.72598
350.2321 40.05593
350.7142 41.03192
351.1964 41.64645
351.6785 41.97100
352.1606 42.16775
352.6427 42.10333
353.1248 41.47253
353.6069 40.13219
354.0891 38.45708
354.5712 36.80974
355.0533 35.14966
355.5354 33.33797
356.0175 31.00862
356.4996 28.66587
356.9818 26.80247
357.4639 25.46892
357.9460 24.46940
358.4281 23.75307
358.9102 23.24489
359.3923 22.86410
359.8745 22.58305
360.3566 22.43722
360.8387 22.45689
361.3208 22.64909
361.8029 22.95229
362.2850 23.43308
362.7672 23.95955
363.2493 24.42186
363.7314 24.74811
364.2135 25.06131
364.6956 25.47649
365.1777 25.92180
365.6599 26.16737
366.1420 25.94937
366.6241 25.67794
367.1062 25.56799
367.5883 25.75656
368.0704 25.84293
368.5526 25.66427
369.0347 25.38495
369.5168 25.25678
369.9989 25.64718
370.4810 25.81413
370.9631 25.51637
371.4453 24.67285
371.9274 23.99898
372.4095 23.63972
372.8916 23.33512
373.3737 22.84061
373.8558 21.99722
374.3380 21.28214
374.8201 20.78056
375.3022 20.45574
375.7843 20.11601
376.2664 19.74500
376.7485 19.38710
377.2307 19.06955
377.7128 18.79422
378.1949 18.52859
378.6770 18.25011
379.1591 18.01476
379.6412 17.95551
380.1234 18.08653
380.6055 18.25589
381.0876 18.39589
381.5697 18.51582
382.0518 18.69104
382.5339 18.92818
383.0161 19.17736
383.4982 19.37137
383.9803 19.52246
384.4624 19.70554
384.9445 20.00562
385.4266 20.28855
385.9088 20.32932
386.3909 20.13209
386.8730 19.75977
387.3551 19.17130
387.8372 18.45194
388.3193 17.75168
388.8015 17.11020
389.2836 16.44847
389.7657 15.65166
390.2478 14.77206
390.7299 13.95140
391.2120 13.23759
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393.6226 11.29066
394.1047 11.29926
394.5869 11.32110
395.0690 11.34982
395.5511 11.37105
396.0332 11.33969
396.5153 11.27074
396.9974 11.27370
397.4796 11.40604
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398.4438 11.82103
398.9259 12.16513
399.4080 12.39574
399.8901 12.47431
400.3723 12.42320
400.8544 12.29555
401.3365 12.11976
401.8186 11.84942
402.3007 11.48252
402.7828 11.02440
403.2649 10.37223
403.7470 9.455765
404.2292 8.409420
404.7113 7.353043
405.1934 6.255051
405.6755 5.213757
406.1576 4.247856
406.6397 3.357841
407.1219 2.568020
407.6040 1.895683
408.0861 1.254654
408.5682 0.5659520
409.0503 0.1560130
409.5324 0.7641600
410.0146 1.244991
410.4967 1.633938
410.9788 1.989714
411.4609 2.303827
411.9430 2.526672
412.4251 2.617882
412.9073 2.610975
413.3894 2.589376
413.8715 2.552170
414.3536 2.467562
414.8357 2.327578
415.3178 2.118536
415.8000 1.803108
416.2821 1.328461
416.7642 0.8266410
417.2463 0.4913640
417.7284 0.2359470
418.2105 0.1604800
418.6927 0.9143220
419.1748 1.786366
419.6569 2.620010
420.1390 3.407021
420.6211 4.141094
421.1032 4.614098
421.5854 5.127949
422.0675 6.006512
422.5496 7.934689
423.0317 9.626244
423.5138 10.49380
423.9959 10.69331
424.4781 11.29112
424.9602 12.73587
425.4423 14.38746
425.9244 15.95119
426.4065 17.29905
426.8886 18.75965
427.3708 20.30806
427.8529 21.99047
428.3350 23.91060
428.8171 26.20744
429.2992 28.48649
429.7813 30.64314
430.2635 32.67224
430.7456 34.73649
431.2277 36.87657
431.7098 38.93428
432.1919 40.80941
432.6740 42.50805
433.1562 43.97540
433.6383 45.25142
434.1204 46.22589
434.6025 46.70555
435.0846 46.69062
435.5667 46.17090
436.0489 45.06782
436.5310 43.44358
437.0131 41.49095
437.4952 39.20365
437.9773 36.64271
438.4594 33.75929
438.9416 30.65306
439.4237 27.51202
439.9058 24.25291
440.3879 21.15563
440.8700 18.44243
441.3521 16.08211
441.8343 13.96539
442.3164 12.06827
442.7985 10.36774
443.2806 8.831470
443.7627 7.458403
444.2448 6.299271
444.7270 5.486397
445.2091 4.873013
445.6912 4.290802
446.1733 3.675880
446.6554 3.108276
447.1375 2.631306
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