#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:52:42 +0300 (Thu, 07 Jun 2018) $
#$Revision: 983 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000441.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_1000441
loop_
_publ_author_name
'Hawthorne, F. C.'
_publ_section_title
;
 Refinement of the crystal structure of bloedite: Structural similarities
 in the [M(T_4)2_n] finite-cluster minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              669
_journal_page_last               674
_journal_volume                  23
_journal_year                    1985
_chemical_compound_source        R050317
_chemical_formula_sum            'H8 Mg Na2 O12 S2'
_chemical_name_mineral           Blodite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.84
_cell_angle_gamma                90
_cell_length_a                   11.126
_cell_length_b                   8.242
_cell_length_c                   5.539
_cell_volume                     498.866
_exptl_crystal_density_diffrn    2.227
_cod_original_formula_sum        'Na2 Mg S2 O12 H8'
_cod_database_code               9004183
_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            R050317.rod
_rod_data_source.block           3500000
_rod_database.code               1000441
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 9004183 COD http://www.crystallography.net/cod/9004183.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
116.4594 0.0000000E+00
116.9415 0.3431240
117.4236 4.345642
117.9057 12.45952
118.3878 22.13402
118.8699 34.29280
119.3521 46.17361
119.8342 55.76295
120.3163 62.70532
120.7984 70.16162
121.2805 80.67024
121.7626 92.79901
122.2448 104.1807
122.7269 114.1445
123.2090 122.8425
123.6911 130.6182
124.1732 137.2783
124.6553 141.7345
125.1375 142.4299
125.6196 140.0577
126.1017 136.7575
126.5838 134.1975
127.0659 131.5048
127.5480 127.0055
128.0302 120.2145
128.5123 112.1589
128.9944 103.5381
129.4765 95.48776
129.9586 90.35033
130.4407 86.24017
130.9229 81.12418
131.4050 75.66905
131.8871 70.87901
132.3692 65.77013
132.8513 61.09973
133.3334 56.53238
133.8156 51.15237
134.2977 45.03293
134.7798 38.96947
135.2619 33.42732
135.7440 28.42978
136.2261 24.05431
136.7083 20.35094
137.1904 17.35725
137.6725 14.84013
138.1546 12.63280
138.6367 10.80034
139.1188 8.840591
139.6010 6.403915
140.0831 3.491501
140.5652 1.705719
141.0473 1.558685
141.5294 1.780991
142.0115 0.5370790
142.4937 3.012314
142.9758 6.091309
143.4579 7.972733
143.9400 8.585846
144.4221 8.310226
144.9042 6.686554
145.3864 4.459335
145.8685 3.040390
146.3506 3.543884
146.8327 3.330872
147.3148 1.346405
147.7969 3.632584
148.2791 7.575485
148.7612 9.971664
149.2433 11.38693
149.7254 13.16202
150.2075 15.99973
150.6896 18.57954
151.1718 20.40590
151.6539 21.20993
152.1360 21.68881
152.6181 21.72861
153.1002 21.43735
153.5823 21.13760
154.0645 20.79874
154.5466 20.48932
155.0287 20.24770
155.5108 20.36314
155.9929 20.19243
156.4750 19.52322
156.9572 18.45305
157.4393 17.39192
157.9214 15.78783
158.4035 14.58363
158.8856 14.35252
159.3677 16.74106
159.8499 18.59062
160.3320 18.55809
160.8141 16.98338
161.2962 15.89250
161.7783 16.60736
162.2604 17.83475
162.7426 18.50757
163.2247 18.05347
163.7068 17.21049
164.1889 15.86377
164.6710 14.11777
165.1531 13.20810
165.6353 14.41304
166.1174 16.54269
166.5995 18.31621
167.0816 19.28430
167.5637 19.74495
168.0458 19.67993
168.5280 19.09795
169.0101 18.63058
169.4922 18.42123
169.9743 18.62485
170.4564 19.46486
170.9385 22.01875
171.4207 24.65477
171.9028 25.77742
172.3849 25.27391
172.8670 24.38426
173.3491 23.66753
173.8312 23.23415
174.3134 23.24236
174.7955 24.06868
175.2776 25.43231
175.7597 27.07712
176.2418 29.02797
176.7239 31.01166
177.2061 32.92348
177.6882 34.72551
178.1703 36.28488
178.6524 37.42775
179.1345 38.33221
179.6166 39.41542
180.0988 40.80203
180.5809 41.87714
181.0630 41.75392
181.5451 40.64679
182.0272 39.43684
182.5093 38.44795
182.9915 37.68321
183.4736 37.18880
183.9557 36.97937
184.4378 36.96623
184.9199 36.81429
185.4020 36.62036
185.8842 37.04865
186.3663 38.94377
186.8484 41.85440
187.3305 43.94521
187.8126 44.89442
188.2947 45.49741
188.7769 47.28549
189.2590 50.19489
189.7411 52.75775
190.2232 53.80315
190.7053 53.61792
191.1874 54.01042
191.6696 55.08438
192.1517 56.87454
192.6338 59.99997
193.1159 64.53900
193.5980 68.37254
194.0801 70.09995
194.5623 69.82968
195.0444 68.96121
195.5265 67.43651
196.0086 65.62711
196.4907 64.53532
196.9728 64.29338
197.4550 63.65381
197.9371 61.62083
198.4192 58.14233
198.9013 55.07068
199.3834 52.79034
199.8655 50.75558
200.3477 47.20250
200.8298 41.75224
201.3119 36.68848
201.7940 33.76703
202.2761 33.30028
202.7582 32.12968
203.2404 29.71384
203.7225 26.61696
204.2046 24.36926
204.6867 23.05452
205.1688 22.56332
205.6509 23.02885
206.1331 24.55965
206.6152 25.48422
207.0973 25.43877
207.5794 24.81271
208.0615 24.86664
208.5436 25.80235
209.0258 26.88600
209.5079 27.57433
209.9900 27.68921
210.4721 28.24770
210.9542 29.41943
211.4363 31.05618
211.9185 32.76009
212.4006 34.71544
212.8827 36.34256
213.3648 37.16167
213.8469 36.92853
214.3290 36.85072
214.8112 37.17258
215.2933 37.67894
215.7754 37.59877
216.2575 36.84575
216.7396 35.66132
217.2217 34.18236
217.7038 32.41750
218.1860 30.34909
218.6681 27.90341
219.1502 25.18335
219.6323 22.70023
220.1144 20.58598
220.5965 18.58191
221.0787 16.48636
221.5608 14.14848
222.0429 12.06410
222.5250 10.29053
223.0071 8.885742
223.4892 7.883270
223.9714 7.133636
224.4535 6.438004
224.9356 5.965042
225.4177 5.904480
225.8998 5.699905
226.3819 5.339676
226.8641 4.809845
227.3462 4.058456
227.8283 2.940445
228.3104 1.816147
228.7925 0.7750240
229.2746 0.6416630
229.7568 0.8340150
230.2389 0.9796300
230.7210 3.934723
231.2031 5.112885
231.6852 3.516159
232.1673 1.612885
232.6495 0.5800930
233.1316 0.6266940
233.6137 1.122467
234.0958 2.260666
234.5779 3.795822
235.0600 5.020599
235.5422 5.819138
236.0243 6.492111
236.5064 7.109924
236.9885 7.396545
237.4706 8.305176
237.9527 10.29228
238.4349 12.77017
238.9170 14.17273
239.3991 13.83167
239.8812 13.41208
240.3633 13.56490
240.8454 14.31749
241.3276 15.63557
241.8097 17.91437
242.2918 20.59764
242.7739 22.36092
243.2560 22.53021
243.7381 22.83586
244.2203 24.00856
244.7024 26.48938
245.1845 28.56253
245.6666 29.97952
246.1487 31.10434
246.6308 32.72179
247.1130 35.26039
247.5951 37.60727
248.0772 39.15674
248.5593 39.40508
249.0414 40.78586
249.5235 43.98456
250.0057 47.96062
250.4878 50.88785
250.9699 52.01079
251.4520 53.21545
251.9341 55.29272
252.4162 58.61128
252.8984 61.11176
253.3805 62.25092
253.8626 62.93750
254.3447 64.68182
254.8268 68.44925
255.3089 71.25409
255.7911 71.98920
256.2732 70.33601
256.7553 69.45338
257.2374 69.75012
257.7195 70.23326
258.2017 69.70529
258.6838 67.89168
259.1659 65.84045
259.6480 63.68724
260.1301 61.41858
260.6122 59.62772
261.0944 58.55885
261.5765 57.45102
262.0586 55.38309
262.5407 52.03099
263.0228 48.92628
263.5049 46.49702
263.9871 44.65977
264.4692 41.75389
264.9513 37.13591
265.4334 32.48882
265.9155 29.52483
266.3976 28.99432
266.8798 27.75548
267.3619 24.96268
267.8440 20.88246
268.3261 17.98619
268.8082 16.62975
269.2903 15.70343
269.7725 14.32397
270.2546 12.40372
270.7367 10.56427
271.2188 8.891190
271.7009 7.382484
272.1830 5.936523
272.6652 4.477921
273.1473 3.323555
273.6294 2.876091
274.1115 3.341148
274.5936 3.164497
275.0757 1.959732
275.5579 0.1738890
276.0400 0.8257220
276.5221 0.9073410
277.0042 0.7425230
277.4863 0.7991410
277.9684 1.125717
278.4506 0.8515850
278.9327 0.4193800
279.4148 1.896385
279.8969 1.458992
280.3790 1.244644
280.8611 3.383965
281.3433 2.998528
281.8254 0.1116490
282.3075 1.566658
282.7896 1.724571
283.2717 1.126488
283.7538 0.8507540
284.2360 0.8984380
284.7181 1.239830
285.2002 2.095436
285.6823 3.360199
286.1644 4.003250
286.6465 3.931412
287.1287 3.557671
287.6108 3.252998
288.0929 3.041542
288.5750 3.242622
289.0571 4.182030
289.5392 5.639069
290.0214 6.688515
290.5035 7.291862
290.9856 7.783905
291.4677 8.647163
291.9498 9.780113
292.4319 10.51385
292.9141 10.48997
293.3962 10.02967
293.8783 9.907143
294.3604 10.12960
294.8425 10.36680
295.3246 10.39887
295.8068 10.22519
296.2889 9.782860
296.7710 8.835274
297.2531 7.869736
297.7352 7.924736
298.2173 8.884956
298.6995 9.761307
299.1816 9.836479
299.6637 9.306473
300.1458 8.518890
300.6279 7.420815
301.1100 6.318794
301.5922 5.613922
302.0743 5.250725
302.5564 5.011292
303.0385 4.943825
303.5206 4.858200
304.0027 4.341522
304.4849 3.206543
304.9670 2.215881
305.4491 2.568115
305.9312 3.679886
306.4133 4.151878
306.8954 2.537018
307.3776 0.3459470
307.8597 0.7401500
308.3418 0.5358580
308.8239 0.2548900
309.3060 0.8891220
309.7881 2.028694
310.2703 3.002037
310.7524 3.603653
311.2345 3.906868
311.7166 3.817375
312.1987 3.355415
312.6808 2.981979
313.1630 3.296951
313.6451 3.709740
314.1272 3.581451
314.6093 1.976112
315.0914 0.4713970
315.5735 0.1072620
316.0557 0.1227110
316.5378 0.5370710
317.0199 1.420235
317.5020 2.066383
317.9841 1.860466
318.4662 0.2925030
318.9484 1.871468
319.4305 1.391891
319.9126 0.3558650
320.3947 1.296074
320.8768 6.2346999E-02
321.3589 1.551163
321.8411 2.618256
322.3232 2.709541
322.8053 2.999893
323.2874 4.083298
323.7695 5.454170
324.2516 6.304199
324.7338 5.671570
325.2159 5.218567
325.6980 5.476120
326.1801 6.599350
326.6622 7.948189
327.1443 10.13228
327.6265 12.24803
328.1086 13.37415
328.5907 11.63213
329.0728 10.99161
329.5549 12.45737
330.0370 16.06473
330.5192 19.10440
331.0013 21.55077
331.4834 23.47833
331.9655 24.86954
332.4476 24.93670
332.9297 25.85085
333.4119 28.11766
333.8940 31.36842
334.3761 34.10794
334.8582 36.04379
335.3403 37.86096
335.8224 39.87314
336.3046 42.17220
336.7867 44.60753
337.2688 47.21676
337.7509 49.85905
338.2330 52.18826
338.7151 54.01701
339.1973 56.01782
339.6794 58.56792
340.1615 61.49323
340.6436 64.67931
341.1257 68.14963
341.6078 71.75185
342.0899 75.22731
342.5721 78.48689
343.0542 82.09258
343.5363 86.23428
344.0184 90.80776
344.5005 95.63141
344.9826 100.7300
345.4648 105.6098
345.9469 109.5713
346.4290 112.7854
346.9111 116.1694
347.3932 119.9897
347.8753 123.9874
348.3575 127.7412
348.8396 131.2128
349.3217 134.1857
349.8038 136.5691
350.2859 138.3046
350.7680 139.3731
351.2502 139.8780
351.7323 139.2934
352.2144 136.8871
352.6965 132.8591
353.1786 127.8787
353.6607 121.9154
354.1429 115.3601
354.6250 108.5474
355.1071 101.4847
355.5892 94.56760
356.0713 87.89107
356.5534 81.60487
357.0356 75.93130
357.5177 71.10419
357.9998 66.76566
358.4819 63.04343
358.9640 59.79175
359.4461 56.28756
359.9283 51.82909
360.4104 47.12758
360.8925 42.75723
361.3746 38.82532
361.8567 35.26952
362.3388 31.77998
362.8210 28.64657
363.3031 26.46316
363.7852 26.46616
364.2673 26.62162
364.7494 25.91997
365.2315 23.99094
365.7137 21.94466
366.1958 19.85701
366.6779 17.94423
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367.6421 15.38647
368.1242 14.49065
368.6064 13.77853
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370.0527 10.38183
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371.4991 7.150970
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373.4275 3.734032
373.9096 5.249458
374.3918 6.623840
374.8739 6.741028
375.3560 5.201958
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379.2129 1.990990
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382.5877 1.740211
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390.3016 1.272095
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392.2301 3.584282
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411.5147 27.39568
411.9969 28.58417
412.4790 28.99168
412.9611 29.00230
413.4432 29.56049
413.9253 30.85965
414.4074 32.47505
414.8896 34.14211
415.3717 35.78543
415.8538 37.21347
416.3359 38.11101
416.8180 38.88380
417.3001 39.86203
417.7823 41.06445
418.2644 42.36467
418.7465 43.69000
419.2286 45.10634
419.7107 46.65688
420.1928 48.35408
420.6750 50.20998
421.1571 52.45349
421.6392 54.88664
422.1213 56.93660
422.6034 58.17484
423.0855 59.23260
423.5677 60.29396
424.0498 61.25345
424.5319 62.63339
425.0140 64.89841
425.4961 67.42052
425.9782 69.55875
426.4604 70.89185
426.9425 72.45097
427.4246 74.26845
427.9067 76.40669
428.3888 79.24150
428.8709 83.07286
429.3531 87.05856
429.8352 90.93661
430.3173 94.79453
430.7994 97.55536
431.2815 98.65134
431.7636 99.49649
432.2458 102.6185
432.7279 108.1493
433.2100 113.6735
433.6921 118.1663
434.1742 122.0377
434.6563 126.8115
435.1385 132.5744
435.6206 138.4000
436.1027 143.1594
436.5848 147.3700
437.0669 152.3860
437.5490 158.4905
438.0312 165.5128
438.5133 173.9386
438.9954 183.3211
439.4775 192.2623
439.9596 199.4448
440.4417 206.3699
440.9239 214.4295
441.4060 223.6867
441.8881 233.2442
442.3702 242.2209
442.8523 251.5065
443.3344 262.0436
443.8166 274.6996
444.2987 287.8922
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