#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:15:31 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1035 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000489.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_1000489
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 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            R050299.rod
_rod_data_source.block           3500000
_rod_database.code               1000489
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
111.6382 0.0000000E+00
112.1203 0.8212170
112.6024 1.581760
113.0845 2.241306
113.5667 2.891319
114.0488 3.230652
114.5309 2.005497
115.0130 0.7984240
115.4951 5.2395001E-02
115.9772 0.4452320
116.4594 0.3903850
116.9415 0.2248420
117.4236 3.7548002E-02
117.9057 0.1798100
118.3878 0.4331170
118.8699 0.5146830
119.3521 0.7922290
119.8342 1.618092
120.3163 3.068233
120.7984 4.441769
121.2805 5.087124
121.7626 5.378605
122.2448 5.957096
122.7269 7.338642
123.2090 9.045967
123.6911 10.57633
124.1732 11.82000
124.6553 13.11986
125.1375 14.60455
125.6196 16.35629
126.1017 18.63783
126.5838 21.61606
127.0659 25.23520
127.5480 29.53780
128.0302 34.78404
128.5123 40.23517
128.9944 45.57936
129.4765 50.65063
129.9586 53.90788
130.4407 53.91523
130.9229 51.07922
131.4050 46.72858
131.8871 40.44072
132.3692 33.50457
132.8513 29.01896
133.3334 26.97294
133.8156 25.87362
134.2977 24.73739
134.7798 23.82222
135.2619 23.72060
135.7440 24.59763
136.2261 26.34911
136.7083 28.81506
137.1904 32.17398
137.6725 35.69687
138.1546 38.95290
138.6367 42.14855
139.1188 44.10786
139.6010 44.40071
140.0831 43.05115
140.5652 41.36531
141.0473 39.07170
141.5294 36.75811
142.0115 35.25351
142.4937 34.77282
142.9758 34.51476
143.4579 34.12811
143.9400 33.39594
144.4221 33.53123
144.9042 34.50468
145.3864 36.32763
145.8685 39.09167
146.3506 43.61952
146.8327 47.99450
147.3148 51.65010
147.7969 54.38943
148.2791 56.81449
148.7612 58.86526
149.2433 60.60781
149.7254 62.23492
150.2075 64.52783
150.6896 66.02956
151.1718 66.16372
151.6539 63.96349
152.1360 61.84565
152.6181 59.28119
153.1002 56.73494
153.5823 55.61696
154.0645 56.46466
154.5466 58.40261
155.0287 61.04458
155.5108 65.64287
155.9929 69.43015
156.4750 72.43687
156.9572 74.46236
157.4393 74.54921
157.9214 71.88843
158.4035 67.62069
158.8856 62.46082
159.3677 55.13175
159.8499 48.34019
160.3320 42.62286
160.8141 38.00089
161.2962 34.69828
161.7783 33.35559
162.2604 33.13563
162.7426 33.34718
163.2247 33.80528
163.7068 34.62886
164.1889 35.70622
164.6710 37.06439
165.1531 39.22973
165.6353 42.41720
166.1174 46.55175
166.5995 51.55297
167.0816 57.79254
167.5637 64.68440
168.0458 72.10745
168.5280 79.82394
169.0101 87.96141
169.4922 97.31667
169.9743 106.8757
170.4564 114.6516
170.9385 119.5539
171.4207 122.5519
171.9028 124.8738
172.3849 126.6131
172.8670 126.1227
173.3491 121.0662
173.8312 112.9081
174.3134 104.4210
174.7955 96.39015
175.2776 88.95750
175.7597 82.41963
176.2418 76.75443
176.7239 71.69070
177.2061 67.09070
177.6882 62.86326
178.1703 58.84672
178.6524 55.38101
179.1345 51.91915
179.6166 47.40714
180.0988 41.59329
180.5809 35.53191
181.0630 30.23416
181.5451 25.61363
182.0272 21.55138
182.5093 17.85971
182.9915 14.63329
183.4736 12.21564
183.9557 10.66465
184.4378 9.699570
184.9199 9.021935
185.4020 8.625668
185.8842 8.397503
186.3663 8.208042
186.8484 8.125221
187.3305 8.433949
187.8126 9.205341
188.2947 10.25083
188.7769 11.20428
189.2590 12.08333
189.7411 13.26070
190.2232 15.10736
190.7053 17.51387
191.1874 19.86330
191.6696 22.18660
192.1517 24.33550
192.6338 26.10520
193.1159 27.49984
193.5980 28.44830
194.0801 28.68106
194.5623 28.26360
195.0444 28.13646
195.5265 28.37531
196.0086 28.95168
196.4907 29.78335
196.9728 30.85571
197.4550 32.29227
197.9371 34.11583
198.4192 36.32199
198.9013 39.08982
199.3834 42.42260
199.8655 46.31434
200.3477 50.89138
200.8298 56.21171
201.3119 61.93359
201.7940 67.83948
202.2761 73.88982
202.7582 80.62480
203.2404 88.25896
203.7225 96.48347
204.2046 104.7288
204.6867 113.2948
205.1688 120.9001
205.6509 126.6423
206.1331 130.4455
206.6152 133.1631
207.0973 134.8823
207.5794 135.5601
208.0615 134.9380
208.5436 132.7926
209.0258 129.9278
209.5079 127.0396
209.9900 124.4566
210.4721 120.3301
210.9542 114.2393
211.4363 106.5980
211.9185 98.69218
212.4006 90.38590
212.8827 82.03639
213.3648 73.95256
213.8469 65.94102
214.3290 58.53847
214.8112 51.68652
215.2933 45.51456
215.7754 40.32007
216.2575 36.29808
216.7396 32.86941
217.2217 29.79056
217.7038 27.18505
218.1860 24.56865
218.6681 21.89759
219.1502 19.21045
219.6323 16.71363
220.1144 14.56365
220.5965 12.37336
221.0787 9.870632
221.5608 6.796597
222.0429 4.143509
222.5250 2.075680
223.0071 0.4640240
223.4892 1.116199
223.9714 2.829140
224.4535 4.275169
224.9356 5.211803
225.4177 5.417004
225.8998 5.655453
226.3819 6.075527
226.8641 6.543751
227.3462 6.531013
227.8283 5.733021
228.3104 4.919876
228.7925 4.525875
229.2746 4.800468
229.7568 4.920345
230.2389 4.843105
230.7210 4.595871
231.2031 4.274635
231.6852 3.911823
232.1673 3.429138
232.6495 2.811287
233.1316 2.137619
233.6137 1.131477
234.0958 0.3357540
234.5779 2.102768
235.0600 3.669556
235.5422 4.874249
236.0243 6.141975
236.5064 7.645069
236.9885 9.343361
237.4706 11.37608
237.9527 13.80070
238.4349 16.51853
238.9170 19.24408
239.3991 21.85605
239.8812 24.65661
240.3633 27.78938
240.8454 31.34802
241.3276 35.01239
241.8097 38.80219
242.2918 42.64045
242.7739 46.41774
243.2560 50.61155
243.7381 54.00990
244.2203 56.15028
244.7024 56.88749
245.1845 56.76403
245.6666 55.69710
246.1487 53.81080
246.6308 51.19415
247.1130 47.25195
247.5951 43.53872
248.0772 40.62863
248.5593 38.62717
249.0414 36.96320
249.5235 35.53968
250.0057 34.51644
250.4878 34.14284
250.9699 34.49171
251.4520 35.37355
251.9341 36.81601
252.4162 38.96393
252.8984 41.02062
253.3805 43.12052
253.8626 45.03815
254.3447 46.53614
254.8268 48.11315
255.3089 48.29839
255.7911 46.42400
256.2732 42.23273
256.7553 38.05180
257.2374 33.62315
257.7195 29.44706
258.2017 26.13554
258.6838 23.79618
259.1659 22.01002
259.6480 20.65015
260.1301 19.72020
260.6122 19.43946
261.0944 20.09580
261.5765 21.04768
262.0586 21.51920
262.5407 21.15859
263.0228 21.29839
263.5049 22.31760
263.9871 24.19101
264.4692 26.02382
264.9513 27.84854
265.4334 29.60856
265.9155 31.31578
266.3976 32.98669
266.8798 34.38660
267.3619 35.20076
267.8440 35.61780
268.3261 37.13776
268.8082 39.92422
269.2903 43.45180
269.7725 47.39378
270.2546 51.78059
270.7367 56.20039
271.2188 60.56402
271.7009 64.87506
272.1830 69.27232
272.6652 73.74973
273.1473 78.23791
273.6294 83.03022
274.1115 88.37995
274.5936 92.38221
275.0757 94.86440
275.5579 95.91924
276.0400 95.77607
276.5221 94.47922
277.0042 91.80193
277.4863 87.15103
277.9684 80.34629
278.4506 74.06159
278.9327 68.51992
279.4148 63.53307
279.8969 58.68317
280.3790 53.93878
280.8611 49.55569
281.3433 45.47408
281.8254 41.67180
282.3075 38.66226
282.7896 36.54330
283.2717 35.13351
283.7538 34.12815
284.2360 33.51838
284.7181 33.23726
285.2002 33.39133
285.6823 33.98469
286.1644 34.57864
286.6465 35.09725
287.1287 35.69156
287.6108 36.72988
288.0929 38.19357
288.5750 39.52843
289.0571 40.45097
289.5392 41.08681
290.0214 41.79298
290.5035 42.53326
290.9856 43.64198
291.4677 45.61543
291.9498 48.37866
292.4319 51.18284
292.9141 53.71184
293.3962 56.23578
293.8783 59.41226
294.3604 63.23446
294.8425 67.43830
295.3246 72.10078
295.8068 77.06038
296.2889 81.63853
296.7710 85.57919
297.2531 89.25608
297.7352 93.31193
298.2173 97.67818
298.6995 101.9407
299.1816 105.4428
299.6637 108.6276
300.1458 112.2977
300.6279 116.5864
301.1100 121.4995
301.5922 126.9618
302.0743 132.9973
302.5564 139.6792
303.0385 148.1309
303.5206 156.9315
304.0027 164.4996
304.4849 170.7453
304.9670 175.1103
305.4491 177.3889
305.9312 177.3099
306.4133 174.2208
306.8954 167.4541
307.3776 157.7714
307.8597 145.3496
308.3418 129.8696
308.8239 114.1633
309.3060 99.37679
309.7881 85.72632
310.2703 74.03133
310.7524 65.08267
311.2345 57.67757
311.7166 51.18103
312.1987 45.54560
312.6808 40.76395
313.1630 36.89235
313.6451 33.83717
314.1272 31.48747
314.6093 30.13033
315.0914 29.25288
315.5735 28.64441
316.0557 28.32081
316.5378 28.37083
317.0199 29.11543
317.5020 30.08009
317.9841 30.92596
318.4662 31.45482
318.9484 32.01487
319.4305 33.00523
319.9126 34.14327
320.3947 34.68581
320.8768 34.11292
321.3589 33.12256
321.8411 32.04407
322.3232 30.95707
322.8053 29.71716
323.2874 28.02566
323.7695 26.21342
324.2516 24.80457
324.7338 24.00013
325.2159 23.49806
325.6980 23.23613
326.1801 23.23499
326.6622 23.35938
327.1443 23.85433
327.6265 24.36165
328.1086 24.52258
328.5907 24.45987
329.0728 23.90426
329.5549 22.64100
330.0370 20.65554
330.5192 18.85278
331.0013 17.05664
331.4834 15.57746
331.9655 14.62419
332.4476 14.37032
332.9297 14.34116
333.4119 14.45634
333.8940 14.75972
334.3761 15.47186
334.8582 16.66001
335.3403 18.11775
335.8224 19.71010
336.3046 21.34363
336.7867 23.43757
337.2688 26.15286
337.7509 29.22605
338.2330 32.15059
338.7151 34.79308
339.1973 37.64559
339.6794 41.00317
340.1615 44.86586
340.6436 48.58544
341.1257 52.04926
341.6078 55.53696
342.0899 59.60434
342.5721 64.26135
343.0542 68.44707
343.5363 71.65217
344.0184 74.11124
344.5005 76.97488
344.9826 80.27568
345.4648 83.57981
345.9469 86.36049
346.4290 88.72414
346.9111 91.14864
347.3932 93.61420
347.8753 96.36398
348.3575 100.0168
348.8396 104.4826
349.3217 108.9767
349.8038 113.3286
350.2859 117.2576
350.7680 120.3046
351.2502 122.6041
351.7323 123.2737
352.2144 121.4510
352.6965 117.1881
353.1786 110.6871
353.6607 100.8566
354.1429 89.40575
354.6250 78.14017
355.1071 67.12809
355.5892 56.77354
356.0713 47.21577
356.5534 38.55280
357.0356 30.92843
357.5177 24.41652
357.9998 18.90932
358.4819 14.77408
358.9640 11.82789
359.4461 9.174629
359.9283 6.252991
360.4104 3.470268
360.8925 1.191231
361.3746 0.3205410
361.8567 1.638565
362.3388 3.159859
362.8210 4.657974
363.3031 5.656075
363.7852 5.472744
364.2673 5.181599
364.7494 5.352898
365.2315 6.237732
365.7137 6.880074
366.1958 7.040203
366.6779 6.873981
367.1600 6.565903
367.6421 5.990154
368.1242 5.424789
368.6064 5.038818
369.0885 4.853916
369.5706 4.242683
370.0527 2.831741
370.5348 1.278862
371.0169 1.1078000E-02
371.4991 0.9256740
371.9812 1.737053
372.4633 2.361809
372.9454 2.902756
373.4275 3.739838
373.9096 5.077850
374.3918 6.374176
374.8739 7.358261
375.3560 7.997520
375.8381 8.461533
376.3202 8.568764
376.8023 8.727791
377.2845 9.604744
377.7666 11.27324
378.2487 13.22353
378.7308 15.25684
379.2129 17.41723
379.6950 19.85254
380.1772 22.61257
380.6593 25.49178
381.1414 28.20769
381.6235 30.80200
382.1056 33.88860
382.5877 37.54105
383.0699 41.78538
383.5520 46.88767
384.0341 52.81437
384.5162 58.74305
384.9983 64.13232
385.4804 69.20487
385.9626 74.69987
386.4447 80.85099
386.9268 86.55678
387.4089 90.71207
387.8910 93.58343
388.3731 95.67123
388.8553 97.52785
389.3374 98.51123
389.8195 97.68768
390.3016 95.14502
390.7837 92.14261
391.2658 89.30750
391.7480 86.50835
392.2301 83.61189
392.7122 80.60007
393.1943 77.46885
393.6764 74.30598
394.1585 71.04139
394.6407 67.54027
395.1228 63.21700
395.6049 59.05340
396.0870 55.46247
396.5691 52.52470
397.0512 50.14701
397.5334 48.63915
398.0155 47.56915
398.4976 46.41521
398.9797 45.13418
399.4618 43.74077
399.9439 42.19048
400.4261 40.48391
400.9082 38.82762
401.3903 37.13215
401.8724 35.56863
402.3545 34.20576
402.8366 32.87265
403.3188 32.21335
403.8009 32.42431
404.2830 33.22667
404.7651 33.90642
405.2472 34.32934
405.7293 34.98598
406.2115 36.08230
406.6936 37.61477
407.1757 39.45425
407.6578 41.59347
408.1399 44.07828
408.6220 46.95235
409.1042 50.21824
409.5863 53.98588
410.0684 58.27645
410.5505 63.31133
411.0326 68.68682
411.5147 75.09012
411.9969 81.96850
412.4790 89.39812
412.9611 97.19823
413.4432 104.9441
413.9253 112.7848
414.4074 120.0802
414.8896 126.7771
415.3717 132.4716
415.8538 136.1294
416.3359 136.8884
416.8180 135.5875
417.3001 132.7311
417.7823 128.3192
418.2644 122.9488
418.7465 115.6882
419.2286 108.0635
419.7107 101.6527
420.1928 97.11847
420.6750 93.37398
421.1571 90.21697
421.6392 87.63343
422.1213 85.48121
422.6034 84.19254
423.0855 82.82699
423.5677 80.94710
424.0498 78.35424
424.5319 76.04491
425.0140 74.22133
425.4961 72.67458
425.9782 71.18805
426.4604 69.93491
426.9425 68.45815
427.4246 66.74857
427.9067 64.84292
428.3888 62.71581
428.8709 60.26999
429.3531 57.70732
429.8352 55.04155
430.3173 52.26428
430.7994 49.60128
431.2815 47.07990
431.7636 44.64156
432.2458 42.23272
432.7279 39.84940
433.2100 37.53252
433.6921 35.23056
434.1742 33.00591
434.6563 31.09450
435.1385 29.46579
435.6206 28.24461
436.1027 27.42812
436.5848 27.13171
437.0669 27.60119
437.5490 29.06313
438.0312 30.91338
438.5133 32.27451
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