#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:34:00 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1150 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000570.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_1000570
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 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            R050317.rod
_rod_data_source.block           3500000
_rod_database.code               1000570
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
114.7008 0.0000000E+00
115.1829 1.776825
115.6650 3.247223
116.1471 3.517761
116.6293 0.5466000
117.1114 0.6001590
117.5935 0.9125670
118.0756 2.577362
118.5577 3.385437
119.0398 3.847656
119.5220 5.303314
120.0041 8.608459
120.4862 13.14630
120.9683 17.32492
121.4504 21.09946
121.9325 24.56671
122.4147 27.67599
122.8968 30.38342
123.3789 32.98447
123.8610 36.00690
124.3431 38.84378
124.8252 40.79648
125.3074 41.55756
125.7895 41.75305
126.2716 42.25836
126.7537 43.35843
127.2358 43.91945
127.7179 43.55154
128.2001 42.65216
128.6822 41.39438
129.1643 39.79898
129.6464 37.94310
130.1285 36.64677
130.6107 37.33228
131.0928 37.30151
131.5749 35.17204
132.0570 31.70471
132.5391 28.74020
133.0212 28.11604
133.5034 30.47340
133.9855 30.59674
134.4676 27.44716
134.9497 23.42319
135.4318 19.54370
135.9139 16.06689
136.3960 13.14456
136.8782 10.83768
137.3603 9.068298
137.8424 8.020477
138.3245 7.952469
138.8066 9.441635
139.2887 12.01907
139.7709 15.35199
140.2530 18.74043
140.7351 21.04836
141.2172 21.39323
141.6993 22.36252
142.1814 24.94444
142.6636 27.66289
143.1457 29.92902
143.6278 30.88367
144.1099 31.88654
144.5920 34.30212
145.0741 38.15898
145.5563 42.29536
146.0384 45.46620
146.5205 47.44069
147.0026 50.20410
147.4847 55.22139
147.9668 60.38564
148.4490 64.67516
148.9311 67.84663
149.4132 70.26611
149.8953 72.53661
150.3774 75.21149
150.8595 76.44388
151.3417 75.95270
151.8238 74.37250
152.3059 72.12808
152.7880 69.41006
153.2701 66.17668
153.7522 62.36047
154.2344 57.35056
154.7165 52.40997
155.1986 47.55850
155.6807 42.79323
156.1628 38.11003
156.6449 33.52843
157.1271 29.01967
157.6092 24.48009
158.0913 19.05972
158.5734 14.48262
159.0555 11.58653
159.5376 9.976105
160.0198 8.678085
160.5019 7.284882
160.9840 5.724808
161.4661 3.848511
161.9482 1.164047
162.4303 1.324478
162.9125 2.913483
163.3946 3.627045
163.8767 3.933990
164.3588 3.823547
164.8409 3.544220
165.3230 3.567947
165.8052 4.295883
166.2873 5.062088
166.7694 4.741852
167.2515 2.901840
167.7336 1.478729
168.2157 2.157501
168.6979 3.582336
169.1800 4.083511
169.6621 2.654510
170.1442 6.3950002E-02
170.6263 1.456543
171.1084 1.150665
171.5906 0.9270630
172.0727 1.346100
172.5548 2.660767
173.0369 4.197174
173.5190 5.855072
174.0011 7.605560
174.4833 9.207535
174.9654 10.78897
175.4475 12.09129
175.9296 12.75089
176.4117 13.03421
176.8938 13.42209
177.3760 14.28923
177.8581 15.65083
178.3402 16.90324
178.8223 17.69888
179.3044 18.72668
179.7865 20.43245
180.2687 22.63490
180.7508 24.77863
181.2329 26.37917
181.7150 27.38243
182.1971 28.39975
182.6792 29.26562
183.1614 30.27211
183.6435 31.52437
184.1256 33.04890
184.6077 34.96259
185.0898 37.58086
185.5719 40.92670
186.0541 43.36752
186.5362 44.11565
187.0183 44.37431
187.5004 45.15858
187.9825 46.57649
188.4646 48.42686
188.9468 50.88084
189.4289 53.72748
189.9110 56.09296
190.3931 57.27396
190.8752 58.00783
191.3573 59.56328
191.8395 62.29604
192.3216 65.10434
192.8037 67.05043
193.2858 68.41425
193.7679 69.78874
194.2500 71.55652
194.7322 73.55052
195.2143 75.39461
195.6964 77.63686
196.1785 78.71043
196.6606 77.09373
197.1427 73.82651
197.6249 71.24133
198.1070 71.44794
198.5891 74.02699
199.0712 74.69273
199.5533 71.67395
200.0354 68.56268
200.5176 66.78201
200.9997 66.02008
201.4818 65.41980
201.9639 64.28972
202.4460 62.61353
202.9281 61.26622
203.4103 60.17108
203.8924 59.52850
204.3745 59.53008
204.8566 60.07278
205.3387 60.95390
205.8208 62.06638
206.3030 63.49281
206.7851 64.38358
207.2672 63.72157
207.7493 63.52159
208.2314 64.89534
208.7135 67.56047
209.1957 70.37350
209.6778 72.23752
210.1599 72.91852
210.6420 74.52092
211.1241 77.94646
211.6062 81.31277
212.0884 83.80653
212.5705 85.34131
213.0526 86.06903
213.5347 85.94281
214.0168 84.81097
214.4989 84.59375
214.9811 85.93129
215.4632 87.56831
215.9453 88.79504
216.4274 89.54204
216.9095 89.98532
217.3916 90.36420
217.8737 90.61298
218.3559 90.11868
218.8380 88.17987
219.3201 85.92191
219.8022 84.42525
220.2843 83.70226
220.7664 82.80518
221.2486 80.74905
221.7307 77.87053
222.2128 75.62650
222.6949 74.45488
223.1770 73.89191
223.6591 73.64238
224.1413 73.79367
224.6234 73.56334
225.1055 72.09392
225.5876 69.90216
226.0697 67.75180
226.5518 65.58936
227.0340 63.71770
227.5161 62.86719
227.9982 63.44569
228.4803 63.85359
228.9624 62.86946
229.4445 61.18985
229.9267 59.72134
230.4088 59.00679
230.8909 58.53305
231.3730 57.16090
231.8551 54.39285
232.3372 52.00459
232.8194 50.79260
233.3015 50.28619
233.7836 50.03209
234.2657 49.91389
234.7478 49.84247
235.2299 49.55597
235.7121 48.83353
236.1942 48.34946
236.6763 48.37595
237.1584 48.66277
237.6405 48.94769
238.1227 49.10846
238.6048 49.24167
239.0869 49.57436
239.5690 50.07440
240.0511 50.85300
240.5332 52.18878
241.0154 53.64996
241.4975 54.72867
241.9796 55.20253
242.4617 55.38179
242.9438 56.01907
243.4259 57.37788
243.9081 58.81778
244.3902 60.72917
244.8723 62.47128
245.3544 63.13841
245.8365 62.41721
246.3186 61.18689
246.8008 61.48230
247.2829 64.34602
247.7650 67.41437
248.2471 71.49484
248.7292 75.23787
249.2113 77.05852
249.6935 76.50255
250.1756 74.89066
250.6577 74.81068
251.1398 77.41386
251.6219 80.05745
252.1040 83.22240
252.5862 86.24374
253.0683 88.34128
253.5504 89.28062
254.0325 89.51118
254.5146 89.75871
254.9967 89.99638
255.4789 90.31433
255.9610 91.13872
256.4431 91.78770
256.9252 91.52435
257.4073 90.23076
257.8894 88.63243
258.3716 87.78593
258.8537 88.33733
259.3358 87.68724
259.8179 85.12939
260.3000 81.67427
260.7821 77.90681
261.2643 74.00565
261.7464 70.62590
262.2285 68.77435
262.7106 68.98137
263.1927 67.84822
263.6748 64.23746
264.1570 59.85031
264.6391 55.91681
265.1212 52.61885
265.6033 49.91978
266.0854 48.06635
266.5675 47.09604
267.0497 45.26784
267.5318 41.60063
268.0139 37.69266
268.4960 34.92551
268.9781 33.34496
269.4602 31.92206
269.9424 29.87683
270.4245 27.28940
270.9066 24.92551
271.3887 22.62596
271.8708 20.68535
272.3529 19.53992
272.8351 19.12210
273.3172 18.67117
273.7993 17.76599
274.2814 16.44356
274.7635 14.94751
275.2456 12.93002
275.7278 11.13711
276.2099 10.26605
276.6920 10.21507
277.1741 10.11028
277.6562 9.458984
278.1383 8.563400
278.6205 8.097260
279.1026 8.278915
279.5847 8.406250
280.0668 7.688904
280.5489 6.345871
281.0310 5.846725
281.5132 7.320938
281.9953 9.240921
282.4774 9.284286
282.9595 7.126404
283.4416 5.047455
283.9237 4.623199
284.4059 5.481201
284.8880 5.999222
285.3701 5.559158
285.8522 4.985733
286.3343 5.239952
286.8164 6.276421
287.2986 7.242134
287.7807 7.744019
288.2628 7.826622
288.7449 7.487671
289.2270 6.331306
289.7091 5.493164
290.1913 6.340363
290.6734 8.384651
291.1555 9.857208
291.6376 9.509537
292.1197 8.044312
292.6018 7.036514
293.0840 6.511368
293.5661 6.587677
294.0482 8.000610
294.5303 9.999100
295.0124 11.14478
295.4945 10.38985
295.9767 8.709648
296.4588 7.846626
296.9409 7.953766
297.4230 8.359734
297.9051 9.243530
298.3872 10.06788
298.8694 10.03428
299.3515 8.605125
299.8336 6.772911
300.3157 5.992363
300.7978 6.480896
301.2799 6.669640
301.7621 5.389381
302.2442 3.828568
302.7263 3.207764
303.2084 3.889763
303.6905 4.641388
304.1726 3.918976
304.6548 1.636597
305.1369 7.4310000E-03
305.6190 0.2491150
306.1011 0.1958080
306.5832 1.017860
307.0653 2.155952
307.5475 3.016144
308.0296 3.078178
308.5117 2.387970
308.9938 1.422569
309.4759 0.1154170
309.9580 1.482338
310.4402 2.167107
310.9223 2.269478
311.4044 2.188828
311.8865 2.147179
312.3686 2.121353
312.8507 1.965401
313.3329 1.504181
313.8150 1.227310
314.2971 1.481071
314.7792 2.071083
315.2613 2.686058
315.7434 3.380989
316.2256 3.889214
316.7077 3.456261
317.1898 1.656784
317.6719 9.0476997E-02
318.1540 0.6307300
318.6361 0.7225880
319.1183 0.2357940
319.6004 0.9964750
320.0825 2.284325
320.5646 2.677673
321.0467 2.114182
321.5288 1.421700
322.0110 0.5053480
322.4931 0.2850880
322.9752 0.5659790
323.4573 0.2448270
323.9394 0.2127690
324.4215 0.3773880
324.9037 0.2530900
325.3858 4.8004001E-02
325.8679 0.2718200
326.3500 0.5898670
326.8321 0.7398990
327.3142 0.7534330
327.7964 0.9098510
328.2785 1.521255
328.7606 2.470901
329.2427 3.209244
329.7248 3.722420
330.2069 3.987488
330.6891 3.819092
331.1712 3.397652
331.6533 3.145874
332.1354 3.160950
332.6175 3.504494
333.0996 4.381218
333.5818 5.931412
334.0639 7.571648
334.5460 9.629730
335.0281 11.40147
335.5102 11.76567
335.9923 9.964111
336.4745 7.774551
336.9566 7.412621
337.4387 8.987671
337.9208 10.54016
338.4029 11.39897
338.8850 11.98294
339.3671 12.67068
339.8492 13.49596
340.3314 14.41325
340.8135 15.48677
341.2956 16.67049
341.7777 17.53673
342.2598 17.66301
342.7419 17.98574
343.2241 19.48819
343.7062 21.94942
344.1883 24.25256
344.6704 25.75172
345.1525 26.74619
345.6346 27.89143
346.1168 29.26469
346.5989 30.63171
347.0810 31.74297
347.5631 32.72810
348.0452 33.84158
348.5273 35.25522
349.0095 36.73051
349.4916 38.04520
349.9737 39.19012
350.4558 40.14987
350.9379 41.08393
351.4200 41.68254
351.9022 41.47830
352.3843 40.24982
352.8664 38.76420
353.3485 37.46883
353.8306 36.32715
354.3127 35.23235
354.7949 34.22816
355.2770 33.13986
355.7591 31.58286
356.2412 29.55955
356.7233 27.87315
357.2054 27.37410
357.6876 27.20499
358.1697 25.80714
358.6518 22.83928
359.1339 19.70484
359.6160 17.67488
360.0981 16.56076
360.5803 15.38840
361.0624 13.73456
361.5445 12.22935
362.0266 11.59269
362.5087 11.70555
362.9908 11.62517
363.4730 10.72444
363.9551 9.350960
364.4372 8.520058
364.9193 8.571259
365.4014 8.556786
365.8835 8.103714
366.3657 7.304985
366.8478 6.144768
367.3299 4.469154
367.8120 2.938705
368.2941 3.033066
368.7762 5.320137
369.2584 6.800858
369.7405 6.629456
370.2226 5.716255
370.7047 4.889885
371.1868 4.284096
371.6689 3.628136
372.1511 2.544441
372.6332 0.9938510
373.1153 0.2202610
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374.5616 1.831902
375.0438 1.700783
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376.0080 0.4012830
376.4901 0.7199940
376.9722 1.563560
377.4543 2.413567
377.9365 2.799782
378.4186 2.123932
378.9007 1.064232
379.3828 0.5100250
379.8649 0.6688540
380.3470 0.9816130
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381.3113 0.8944850
381.7934 1.485748
382.2755 0.4916080
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383.2397 1.387833
383.7219 1.561996
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384.6861 0.4384460
385.1682 0.8237610
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387.0967 0.5391690
387.5788 0.5043030
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389.0251 2.102066
389.5073 3.143494
389.9894 3.161102
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392.4000 1.680328
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395.2927 4.443192
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404.9350 15.80721
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405.8992 17.14983
406.3813 16.12912
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407.3456 13.31311
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408.3098 12.92975
408.7919 14.46486
409.2740 16.74173
409.7562 20.26729
410.2383 23.16235
410.7204 23.86240
411.2025 23.01508
411.6846 22.47729
412.1667 22.68684
412.6489 23.39816
413.1310 24.50446
413.6131 26.00044
414.0952 27.23639
414.5773 27.78506
415.0594 28.24051
415.5416 29.32613
416.0237 30.97485
416.5058 32.25955
416.9879 32.35680
417.4700 31.65587
417.9521 32.29391
418.4343 35.74083
418.9164 38.53044
419.3985 38.82237
419.8806 38.15309
420.3627 39.13701
420.8448 42.59219
421.3270 46.60051
421.8091 48.17857
422.2912 45.93355
422.7733 45.20395
423.2554 46.84061
423.7375 49.11395
424.2197 51.32262
424.7018 53.28076
425.1839 54.72975
425.6660 55.34543
426.1481 55.41661
426.6302 57.02274
427.1124 62.10376
427.5945 66.37750
428.0766 68.96466
428.5587 70.69098
429.0408 72.14050
429.5229 73.57617
430.0051 75.49342
430.4872 78.92204
430.9693 84.48665
431.4514 88.87682
431.9335 90.52643
432.4156 92.30275
432.8978 95.51996
433.3799 99.82257
433.8620 104.1374
434.3441 107.6686
434.8262 110.7749
435.3083 114.4723
435.7905 118.8116
436.2726 123.7093
436.7547 129.3891
437.2368 135.4891
437.7189 141.8463
438.2010 148.4654
438.6832 154.8634
439.1653 160.1526
439.6474 164.6558
440.1295 170.4993
440.6116 178.5840
441.0938 186.8599
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