#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:40:28 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1215 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000629.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_1000629
loop_
_publ_author_name
'Belokoneva, E. L.'
'Pletnev, P. A.'
'Spiridonov, E. M.'
_publ_section_title
;
 Crystal structure of low-manganese tinzenite (severginite) Note: O2
 position not included in the paper, so we deduced it from the reported
 bondlengths Locality: Tungatarovskoe manganese deposit, Izhevsk, Udmurt
 Republic, Russia
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              934
_journal_page_last               937
_journal_volume                  42
_journal_year                    1997
_chemical_compound_source        R050299
_chemical_formula_sum            'Al1.8 B Ca1.65 Fe0.2 H Mg0.1 Mn1.2 O16 Si4'
_chemical_name_mineral           Axinite-(Mn)
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.84
_cell_angle_beta                 98.16
_cell_angle_gamma                77.34
_cell_length_a                   7.162
_cell_length_b                   9.207
_cell_length_c                   8.972
_cell_volume                     571.390
_exptl_crystal_density_diffrn    3.338
_cod_original_formula_sum        'Ca1.65 Mn1.2 Mg.1 (Fe.2 Al1.8) Si4 B O16 H'
_cod_database_code               9012630
_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            R050299.rod
_rod_data_source.block           3500000
_rod_database.code               1000629
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 9012630 COD http://www.crystallography.net/cod/9012630.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
118.5577 0.0000000E+00
119.0398 0.1872100
119.5220 0.2830700
120.0041 2.0344000E-02
120.4862 8.5537001E-02
120.9683 9.5939999E-03
121.4504 0.3641360
121.9325 0.7952000
122.4147 1.143871
122.8968 1.396420
123.3789 1.691246
123.8610 2.064320
124.3431 2.527424
124.8252 3.091461
125.3074 3.728600
125.7895 4.503284
126.2716 5.565052
126.7537 6.982765
127.2358 8.587486
127.7179 10.45729
128.2001 12.41483
128.6822 14.33630
129.1643 16.23820
129.6464 18.04939
130.1285 18.74668
130.6106 17.77915
131.0928 16.11193
131.5749 13.50694
132.0570 10.31959
132.5391 7.138763
133.0212 4.455524
133.5033 2.250420
133.9855 0.8468670
134.4676 0.4313510
134.9497 0.4734150
135.4318 0.8250690
135.9139 1.421062
136.3960 2.079948
136.8782 2.598972
137.3603 2.937244
137.8424 3.364017
138.3245 4.018372
138.8066 4.720318
139.2887 5.271061
139.7709 5.630844
140.2530 5.815411
140.7351 5.758804
141.2172 5.486328
141.6993 5.258869
142.1814 5.209126
142.6636 5.299904
143.1457 5.377037
143.6278 5.316456
144.1099 5.354813
144.5920 5.673233
145.0741 6.271999
145.5563 7.019478
146.0384 7.774933
146.5205 8.515266
147.0026 9.467030
147.4847 10.99317
147.9668 12.52773
148.4490 13.69532
148.9311 14.43288
149.4132 15.04882
149.8953 16.10787
150.3774 18.20655
150.8595 19.47803
151.3417 19.75000
151.8238 19.42927
152.3059 18.76089
152.7880 17.64206
153.2701 16.16193
153.7522 15.03371
154.2344 14.51102
154.7165 14.43493
155.1986 15.04083
155.6807 16.02459
156.1628 17.12606
156.6449 18.25428
157.1271 19.26468
157.6092 19.49008
158.0913 18.65139
158.5734 17.53207
159.0555 16.14751
159.5376 14.61678
160.0198 13.23666
160.5019 12.16033
160.9840 11.38941
161.4661 10.80328
161.9482 10.31532
162.4303 10.07837
162.9125 10.27871
163.3946 10.90101
163.8767 11.60749
164.3588 12.18499
164.8409 12.72855
165.3230 13.39419
165.8052 14.17526
166.2873 15.11703
166.7694 16.27685
167.2515 17.68090
167.7336 19.23872
168.2157 21.00484
168.6979 22.86716
169.1800 24.74464
169.6621 26.68317
170.1442 28.55679
170.6263 30.03795
171.1084 31.13446
171.5906 31.74189
172.0727 32.09633
172.5548 32.06519
173.0369 31.37311
173.5190 29.89749
174.0011 27.80515
174.4833 25.59073
174.9654 22.51617
175.4475 19.75523
175.9296 17.61939
176.4117 16.09155
176.8938 14.92756
177.3760 13.99507
177.8581 13.30891
178.3402 12.27586
178.8223 10.67052
179.3044 8.991741
179.7865 7.272182
180.2687 5.604107
180.7508 4.192379
181.2329 3.251186
181.7150 2.832561
182.1971 2.283035
182.6792 1.389030
183.1614 0.5590210
183.6435 8.4213004E-02
184.1256 4.6448000E-02
184.6077 0.1228870
185.0898 0.4369130
185.5719 0.9994430
186.0540 1.307144
186.5362 1.279301
187.0183 1.031975
187.5004 0.6295090
187.9825 7.1796000E-02
188.4646 0.5389750
188.9467 1.128727
189.4289 1.698799
189.9110 2.265907
190.3931 2.817760
190.8752 3.372589
191.3573 4.002556
191.8394 4.772877
192.3216 5.443905
192.8037 5.706577
193.2858 5.721115
193.7679 5.855232
194.2500 6.418972
194.7321 7.243938
195.2143 7.744209
195.6964 7.642944
196.1785 7.632687
196.6606 8.155544
197.1427 9.042484
197.6248 9.913048
198.1070 10.42898
198.5891 10.65482
199.0712 11.25151
199.5533 12.38170
200.0354 13.75753
200.5175 15.25388
200.9997 16.88618
201.4818 18.70798
201.9639 20.76810
202.4460 23.06974
202.9281 25.45187
203.4102 28.00750
203.8924 30.54778
204.3745 33.26377
204.8566 35.95832
205.3387 38.15782
205.8208 39.44492
206.3029 39.76771
206.7851 39.64703
207.2672 38.82090
207.7493 37.85392
208.2314 36.99149
208.7135 36.20073
209.1956 35.29729
209.6778 34.11159
210.1599 32.61722
210.6420 31.00514
211.1241 29.30311
211.6062 27.46518
212.0883 25.54274
212.5705 23.46776
213.0526 21.30910
213.5347 19.03291
214.0168 16.60944
214.4989 14.68577
214.9810 13.61807
215.4632 12.72042
215.9453 11.47723
216.4274 9.884602
216.9095 8.379227
217.3916 7.337059
217.8737 6.792587
218.3559 6.346867
218.8380 6.212944
219.3201 6.030754
219.8022 5.399265
220.2843 4.289616
220.7664 3.163326
221.2486 2.366848
221.7307 1.865284
222.2128 1.516052
222.6949 1.461117
223.1770 1.466587
223.6591 1.249065
224.1413 0.7761040
224.6234 0.2525020
225.1055 0.2605210
225.5876 0.7133290
226.0697 0.9817730
226.5518 0.9295620
227.0340 0.7278210
227.5161 0.5953870
227.9982 0.5146790
228.4803 0.5701750
228.9624 0.9779210
229.4445 1.512791
229.9267 1.883331
230.4088 1.975224
230.8909 1.848492
231.3730 1.600391
231.8551 1.210491
232.3372 0.7466810
232.8194 0.1563870
233.3015 0.4641150
233.7836 1.013992
234.2657 1.463573
234.7478 1.800495
235.2299 1.956360
235.7121 1.778522
236.1942 1.734589
236.6763 1.961441
237.1584 2.366943
237.6405 2.874065
238.1227 3.459774
238.6048 4.101933
239.0869 4.736801
239.5690 5.329411
240.0511 5.987125
240.5332 6.793396
241.0154 7.635319
241.4975 8.361485
241.9796 8.912960
242.4617 9.380081
242.9438 9.975681
243.4259 10.90118
243.9081 11.60848
244.3902 12.11765
244.8723 12.41136
245.3544 12.43141
245.8365 12.16697
246.3186 11.70692
246.8007 11.26097
247.2829 10.88280
247.7650 10.43716
248.2471 9.904987
248.7292 9.315788
249.2113 8.601482
249.6934 7.760799
250.1756 7.001408
250.6577 6.742828
251.1398 7.443752
251.6219 8.022068
252.1040 8.443253
252.5861 8.762867
253.0683 8.995350
253.5504 9.152496
254.0325 9.303288
254.5146 9.579269
254.9967 10.23315
255.4788 10.50032
255.9610 10.29938
256.4431 9.769260
256.9252 8.935795
257.4073 7.825977
257.8894 6.632877
258.3716 5.606201
258.8537 4.798706
259.3358 4.071663
259.8179 3.259747
260.3000 2.622482
260.7821 2.472485
261.2643 2.842785
261.7464 3.383629
262.2285 3.740868
262.7106 3.883667
263.1927 3.887012
263.6748 3.564472
264.1570 3.220917
264.6391 3.120129
265.1212 3.286114
265.6033 3.569786
266.0854 3.831505
266.5675 4.074783
267.0497 4.429771
267.5318 5.021603
268.0139 5.639484
268.4960 6.096283
268.9781 6.387180
269.4602 6.652790
269.9424 6.944630
270.4245 7.304768
270.9066 7.888851
271.3887 8.802959
271.8708 9.868629
272.3529 10.97710
272.8351 12.12573
273.3172 13.30686
273.7993 14.59991
274.2814 15.89407
274.7635 16.91454
275.2456 17.64980
275.7278 18.11224
276.2099 18.27110
276.6920 18.14074
277.1741 17.83138
277.6562 17.37523
278.1383 16.76179
278.6204 16.06020
279.1025 15.32267
279.5847 14.37050
280.0668 12.78602
280.5489 10.73448
281.0310 9.283371
281.5131 9.013508
281.9952 9.344173
282.4774 9.410828
282.9595 9.162189
283.4416 8.793983
283.9237 8.272137
284.4058 7.713497
284.8879 7.569649
285.3701 8.078957
285.8522 8.862961
286.3343 9.581581
286.8164 10.21251
287.2985 10.62217
287.7806 10.70172
288.2628 10.52867
288.7449 10.25222
289.2270 9.746624
289.7091 9.444527
290.1912 9.797745
290.6733 10.66548
291.1555 11.52711
291.6376 12.04100
292.1197 12.37392
292.6018 12.93953
293.0839 13.79948
293.5660 14.78781
294.0482 15.83387
294.5303 16.91698
295.0124 18.01933
295.4945 19.11395
295.9766 20.22501
296.4587 21.42200
296.9409 22.74788
297.4230 24.01483
297.9051 25.10279
298.3872 26.09298
298.8693 27.08831
299.3514 28.15844
299.8336 29.17598
300.3157 29.90173
300.7978 30.26756
301.2799 30.77914
301.7620 31.65765
302.2441 32.77206
302.7263 34.05691
303.2084 35.52245
303.6905 37.09134
304.1726 38.85453
304.6547 40.83573
305.1368 42.25269
305.6190 42.98949
306.1011 42.93266
306.5832 41.91005
307.0653 39.92420
307.5474 37.44487
308.0295 34.73858
308.5117 31.82063
308.9938 28.81829
309.4759 25.60629
309.9580 22.54533
310.4401 19.78937
310.9222 17.32301
311.4044 15.13792
311.8865 13.29982
312.3686 11.82804
312.8507 10.68363
313.3328 9.916508
313.8149 9.347988
314.2971 8.862579
314.7792 8.471848
315.2613 8.203373
315.7434 8.090233
316.2255 8.091812
316.7076 8.139141
317.1898 8.262146
317.6719 8.346386
318.1540 8.331059
318.6361 8.255775
319.1182 8.134460
319.6003 7.940918
320.0825 7.786064
320.5646 7.887177
321.0467 8.308472
321.5288 8.577641
322.0109 8.550842
322.4930 8.292473
322.9752 7.759525
323.4573 6.939629
323.9394 6.114544
324.4215 5.579922
324.9036 5.332077
325.3857 5.014065
325.8679 4.403469
326.3500 3.884872
326.8321 3.757374
327.3142 3.981655
327.7963 4.284321
328.2784 4.588249
328.7606 4.848156
329.2427 4.816708
329.7248 4.353748
330.2069 3.810158
330.6890 3.328583
331.1711 2.930698
331.6533 2.668152
332.1354 2.563160
332.6175 2.608372
333.0996 2.839287
333.5817 3.334347
334.0638 3.763947
334.5460 3.782085
335.0281 3.702766
335.5102 3.889530
335.9923 4.465897
336.4744 5.265434
336.9565 6.183968
337.4387 7.233742
337.9208 8.121346
338.4029 8.563137
338.8850 8.935783
339.3671 9.610420
339.8492 10.63179
340.3314 11.76565
340.8135 12.91507
341.2956 14.06350
341.7777 15.02154
342.2598 15.64654
342.7419 16.22853
343.2241 17.08414
343.7062 18.15110
344.1883 19.09042
344.6704 19.65935
345.1525 20.00272
345.6346 20.43479
346.1168 20.98944
346.5989 21.57271
347.0810 22.12109
347.5631 22.64819
348.0452 23.17663
348.5273 23.66498
349.0095 24.19883
349.4916 24.91777
349.9737 25.82398
350.4558 26.72957
350.9379 27.76575
351.4200 28.58627
351.9022 28.70148
352.3843 27.99580
352.8664 26.83881
353.3485 25.48235
353.8306 23.88185
354.3127 21.76876
354.7949 18.83041
355.2770 15.73351
355.7591 13.32399
356.2412 11.57722
356.7233 9.940525
357.2054 8.213570
357.6876 6.474983
358.1697 4.788586
358.6518 3.134586
359.1339 1.733505
359.6160 0.8938870
360.0981 0.5209080
360.5803 0.1160160
361.0624 0.4353140
361.5445 0.9955830
362.0266 1.474552
362.5087 1.868427
362.9908 2.160469
363.4730 2.342434
363.9551 2.406841
364.4372 2.355576
364.9193 2.153221
365.4014 1.908394
365.8835 1.598118
366.3657 1.283649
366.8478 1.141666
367.3299 1.270294
367.8120 1.424881
368.2941 1.143642
368.7762 0.2716180
369.2584 0.3212240
369.7405 0.1742170
370.2226 0.1069340
370.7047 0.1826780
371.1868 1.095112
371.6689 1.989609
372.1511 2.266579
372.6332 1.888798
373.1153 1.707710
373.5974 1.752369
374.0795 1.939507
374.5616 2.314739
375.0438 2.804646
375.5259 3.236691
376.0080 3.507210
376.4901 3.669529
376.9722 3.910854
377.4543 4.261570
377.9365 4.648632
378.4186 5.031517
378.9007 5.462437
379.3828 6.014565
379.8649 6.703072
380.3470 7.452816
380.8292 8.143837
381.3113 8.690228
381.7934 9.466404
382.2755 10.58346
382.7576 11.80122
383.2397 12.98529
383.7219 14.14384
384.2040 15.34291
384.6861 16.63469
385.1682 18.01464
385.6503 19.37029
386.1324 20.72569
386.6146 22.02253
387.0967 23.31767
387.5788 24.51491
388.0609 25.53801
388.5430 26.34854
389.0251 26.89006
389.5073 27.03683
389.9894 26.68960
390.4715 26.11960
390.9536 25.12575
391.4357 24.11579
391.9178 23.39448
392.4000 22.95405
392.8821 22.52920
393.3642 21.85343
393.8463 20.91668
394.3284 20.00969
394.8105 19.14791
395.2927 18.28989
395.7748 17.38468
396.2569 16.48143
396.7390 15.63849
397.2211 14.86967
397.7032 14.21291
398.1854 13.82703
398.6675 13.86743
399.1496 13.70070
399.6317 13.00041
400.1138 12.11261
400.5959 11.18937
401.0780 10.26915
401.5602 9.574432
402.0423 9.502270
402.5244 9.975380
403.0065 10.03535
403.4886 9.331715
403.9707 8.556820
404.4529 8.157135
404.9350 8.064667
405.4171 8.108833
405.8992 8.208298
406.3813 8.420994
406.8634 8.908890
407.3456 9.710327
407.8277 10.42505
408.3098 10.70005
408.7919 10.85468
409.2740 11.41724
409.7561 12.49763
410.2383 13.77811
410.7204 15.14267
411.2025 16.56682
411.6846 17.92687
412.1667 19.11756
412.6488 20.47504
413.1310 22.65804
413.6131 25.65521
414.0952 28.09578
414.5773 29.59286
415.0594 30.53826
415.5415 31.26379
416.0237 31.78134
416.5058 31.96432
416.9879 31.72976
417.4700 31.08470
417.9521 30.08176
418.4342 28.35909
418.9164 26.74173
419.3985 25.48587
419.8806 24.46593
420.3627 23.52046
420.8448 22.59836
421.3269 21.71764
421.8091 20.89250
422.2912 20.10102
422.7733 19.50603
423.2554 19.32627
423.7375 19.14906
424.2196 18.59623
424.7018 17.78911
425.1839 17.18617
425.6660 17.15213
426.1481 17.61885
426.6302 17.97704
427.1123 18.36153
427.5945 18.33967
428.0766 17.63939
428.5587 16.64408
429.0408 15.63796
429.5229 14.72666
430.0050 13.91315
430.4872 13.23061
430.9693 12.73285
431.4514 12.15553
431.9335 11.37938
432.4156 10.61761
432.8977 9.929932
433.3799 9.324608
433.8620 8.787548
434.3441 8.300987
434.8262 7.888752
435.3083 7.612705
435.7904 7.457024
436.2726 7.487694
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