#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:52:50 +0300 (Thu, 07 Jun 2018) $
#$Revision: 985 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000442.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_1000442
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        R050341
_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            R050341.rod
_rod_data_source.block           3500000
_rod_database.code               1000442
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
96.69257 0.0000000E+00
97.17468 1.741503
97.65680 2.051319
98.13892 3.267681
98.62103 5.176353
99.10315 3.966309
99.58527 1.412220
100.0674 0.2812730
100.5495 1.038895
101.0316 1.103905
101.5137 0.8222660
101.9958 0.2312580
102.4780 0.8187370
102.9601 2.298706
103.4422 4.157265
103.9243 6.659584
104.4064 9.830193
104.8885 13.63132
105.3707 18.25232
105.8528 24.22985
106.3349 30.17096
106.8170 35.55704
107.2991 40.56375
107.7813 44.65701
108.2634 47.60431
108.7455 49.62367
109.2276 51.28731
109.7097 51.89789
110.1918 52.68587
110.6740 54.16481
111.1561 55.97180
111.6382 58.88504
112.1203 63.35178
112.6024 69.19791
113.0845 75.04935
113.5667 79.49260
114.0488 84.49385
114.5309 91.45818
115.0130 102.4362
115.4951 113.6928
115.9772 123.7792
116.4594 132.8328
116.9415 143.0087
117.4236 156.0578
117.9057 170.3475
118.3878 184.0665
118.8699 194.8085
119.3521 206.2673
119.8342 221.6597
120.3163 241.5993
120.7984 260.7562
121.2805 275.7253
121.7626 287.7218
122.2448 298.8242
122.7269 310.8076
123.2090 321.9787
123.6911 330.6739
124.1732 336.6270
124.6553 340.4818
125.1375 343.2971
125.6196 344.6308
126.1017 343.0854
126.5838 336.3881
127.0659 326.4622
127.5480 316.5713
128.0302 306.9439
128.5123 297.8828
128.9944 289.7491
129.4765 282.5397
129.9586 276.2162
130.4407 271.4783
130.9229 267.8206
131.4050 262.9163
131.8871 255.7353
132.3692 247.6916
132.8513 242.6024
133.3334 240.1076
133.8156 236.1355
134.2977 228.4801
134.7798 218.5822
135.2619 208.8491
135.7440 199.4805
136.2261 190.7578
136.7083 183.6275
137.1904 178.4147
137.6725 173.6644
138.1546 167.5392
138.6367 159.6169
139.1188 152.6177
139.6010 147.4246
140.0831 144.0529
140.5652 139.9519
141.0473 134.6310
141.5294 129.1954
142.0115 125.2503
142.4937 123.3193
142.9758 121.4808
143.4579 118.7960
143.9400 114.6143
144.4221 112.8755
144.9042 114.7034
145.3864 118.2719
145.8685 120.3662
146.3506 119.9357
146.8327 119.4947
147.3148 119.8307
147.7969 121.0731
148.2791 122.8094
148.7612 125.8362
149.2433 129.2823
149.7254 131.1558
150.2075 129.9919
150.6896 128.5397
151.1718 127.8354
151.6539 129.0116
152.1360 129.2924
152.6181 128.7788
153.1002 127.3749
153.5823 124.7799
154.0645 119.2760
154.5466 113.3714
155.0287 108.8516
155.5108 107.3365
155.9929 105.3778
156.4750 101.7776
156.9572 97.09338
157.4393 93.64233
157.9214 93.18094
158.4035 93.32339
158.8856 92.58740
159.3677 89.64853
159.8499 86.78407
160.3320 84.40976
160.8141 82.54776
161.2962 81.40286
161.7783 82.10597
162.2604 83.07349
162.7426 82.99931
163.2247 80.16174
163.7068 77.37717
164.1889 76.20421
164.6710 76.52670
165.1531 76.49716
165.6353 74.66849
166.1174 72.19589
166.5995 70.32285
167.0816 70.09727
167.5637 70.15807
168.0458 69.68466
168.5280 68.66028
169.0101 67.36584
169.4922 65.59622
169.9743 63.74365
170.4564 62.36783
170.9385 62.25798
171.4207 62.38611
171.9028 61.86383
172.3849 60.64677
172.8670 59.06862
173.3491 57.09404
173.8312 54.94287
174.3134 53.02919
174.7955 51.80034
175.2776 50.81201
175.7597 49.37460
176.2418 47.36005
176.7239 45.64162
177.2061 45.51060
177.6882 46.38168
178.1703 46.66289
178.6524 45.13390
179.1345 42.63832
179.6166 40.59322
180.0988 39.08763
180.5809 37.90675
181.0630 36.98428
181.5451 36.23927
182.0272 35.37137
182.5093 33.58006
182.9915 31.48846
183.4736 31.08687
183.9557 32.95851
184.4378 35.08641
184.9199 34.07242
185.4020 30.41071
185.8842 27.49014
186.3663 27.83896
186.8484 30.56653
187.3305 32.37643
187.8126 32.86018
188.2947 32.79988
188.7769 33.56497
189.2590 35.13356
189.7411 36.56386
190.2232 36.97871
190.7053 36.62932
191.1874 37.18747
191.6696 38.90237
192.1517 41.36914
192.6338 44.20393
193.1159 47.44568
193.5980 50.07436
194.0801 51.52086
194.5623 51.80904
195.0444 51.02713
195.5265 48.79889
196.0086 46.04288
196.4907 45.11597
196.9728 46.29105
197.4550 46.99641
197.9371 45.15871
198.4192 40.72145
198.9013 37.48569
199.3834 36.10060
199.8655 35.77022
200.3477 34.42726
200.8298 31.84776
201.3119 29.27655
201.7940 27.43829
202.2761 26.37691
202.7582 25.53256
203.2404 24.78596
203.7225 24.27988
204.2046 24.63275
204.6867 26.15457
205.1688 27.48177
205.6509 27.37263
206.1331 25.40517
206.6152 24.87527
207.0973 26.44551
207.5794 29.43169
208.0615 31.68416
208.5436 32.95941
209.0257 34.15034
209.5079 35.75133
209.9900 37.76514
210.4721 40.23389
210.9542 43.53427
211.4363 47.17966
211.9184 49.26685
212.4006 49.15482
212.8827 48.82036
213.3648 49.59169
213.8469 51.88091
214.3290 53.89082
214.8111 55.67563
215.2933 57.11682
215.7754 57.50862
216.2575 56.25452
216.7396 55.05513
217.2217 54.92041
217.7038 56.12949
218.1860 57.07625
218.6681 57.82693
219.1502 58.35614
219.6323 58.27542
220.1144 57.39447
220.5965 56.40308
221.0787 55.54349
221.5608 54.72572
222.0429 53.55913
222.5250 52.28468
223.0071 50.89453
223.4892 49.21687
223.9714 46.41730
224.4535 44.28120
224.9356 44.19804
225.4177 47.95381
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226.3819 47.38811
226.8641 43.00082
227.3462 39.24059
227.8283 36.31564
228.3104 33.69832
228.7925 31.13438
229.2746 28.42227
229.7568 26.18150
230.2389 24.69444
230.7210 23.62788
231.2031 21.96678
231.6852 19.52080
232.1673 16.76678
232.6495 13.85808
233.1316 10.41696
233.6137 7.697037
234.0958 5.993530
234.5779 5.006454
235.0600 3.955399
235.5422 2.869110
236.0243 1.656937
236.5064 0.2071380
236.9885 1.827438
237.4706 3.298599
237.9527 3.934418
238.4349 4.059616
238.9170 4.569748
239.3991 6.119110
239.8812 7.075241
240.3633 6.575439
240.8454 3.684189
241.3276 1.654999
241.8097 0.6600490
242.2918 0.4865880
242.7739 0.7729340
243.2560 1.916809
243.7381 2.907501
244.2203 3.384903
244.7024 3.313843
245.1845 2.792191
245.6666 1.593521
246.1487 5.2749999E-02
246.6308 1.237473
247.1130 2.327820
247.5951 3.066711
248.0772 3.112747
248.5593 1.808426
249.0414 2.342529
249.5235 5.724014
250.0057 10.30424
250.4878 13.35715
250.9699 14.11366
251.4520 14.69814
251.9341 15.84695
252.4162 17.79604
252.8984 19.21948
253.3805 19.72060
253.8626 19.93452
254.3447 20.91154
254.8268 23.23857
255.3089 25.30437
255.7911 26.59451
256.2732 27.03285
256.7553 27.04425
257.2374 26.38194
257.7195 25.54802
258.2017 25.20055
258.6838 25.63469
259.1659 25.83218
259.6480 25.56570
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261.0944 22.70447
261.5765 21.53459
262.0586 21.07944
262.5407 21.73199
263.0228 21.96315
263.5049 21.51782
263.9871 20.39146
264.4692 18.48480
264.9513 15.41833
265.4334 12.18188
265.9155 9.575150
266.3976 7.758499
266.8798 6.124939
267.3619 4.661316
267.8440 3.371460
268.3261 2.353790
268.8082 1.589157
269.2903 1.088821
269.7725 0.9449160
270.2546 1.366089
270.7367 1.485413
271.2188 1.235825
271.7009 0.6161800
272.1830 0.5117190
272.6652 2.307465
273.1473 4.156342
273.6294 5.886246
274.1115 7.661423
274.5936 8.138336
275.0757 6.780289
275.5579 4.316132
276.0400 2.884354
276.5221 2.615219
277.0042 2.854614
277.4863 3.780182
277.9684 5.585526
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278.9327 0.7564540
279.4148 4.768188
279.8969 6.236893
280.3790 3.101089
280.8611 0.2178190
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282.3075 0.6388240
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283.2717 3.998657
283.7538 5.319305
284.2360 6.203720
284.7181 7.181229
285.2002 8.478546
285.6823 10.07715
286.1644 11.89059
286.6465 13.96498
287.1287 16.02422
287.6108 17.78227
288.0929 19.23401
288.5750 20.27194
289.0571 20.56815
289.5392 20.41061
290.0214 21.03772
290.5035 22.51396
290.9856 24.20441
291.4677 25.45236
291.9498 26.32201
292.4319 27.17233
292.9141 28.12454
293.3962 29.13148
293.8783 30.01878
294.3604 30.78001
294.8425 31.65727
295.3246 33.19168
295.8068 35.10564
296.2889 36.38914
296.7710 36.70073
297.2531 36.35387
297.7352 35.86343
298.2173 35.27652
298.6995 34.62508
299.1816 33.87292
299.6637 32.96385
300.1458 31.77771
300.6279 30.14192
301.1100 28.49426
301.5922 27.51369
302.0743 27.07239
302.5564 26.63301
303.0385 26.22939
303.5206 25.53604
304.0027 23.83081
304.4849 20.78493
304.9670 17.64420
305.4491 15.75130
305.9312 14.72517
306.4133 13.65158
306.8954 11.63274
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307.8597 8.699005
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315.0914 3.4224998E-02
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395.1228 18.72813
395.6049 18.47972
396.0870 20.31526
396.5691 25.51724
397.0512 29.16090
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398.0155 27.36362
398.4976 26.51143
398.9797 27.19562
399.4618 28.34338
399.9439 29.91216
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400.9082 33.73874
401.3903 35.67238
401.8724 37.24181
402.3545 37.88860
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403.3188 36.87724
403.8009 41.77315
404.2830 48.83691
404.7651 52.86604
405.2472 52.84421
405.7293 52.58308
406.2115 53.70882
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407.1757 58.44485
407.6578 60.19855
408.1399 61.79289
408.6220 63.50673
409.1042 65.34238
409.5863 67.37894
410.0684 69.67291
410.5505 72.15005
411.0326 74.78143
411.5147 77.57594
411.9969 80.41937
412.4790 83.18002
412.9611 85.97150
413.4432 89.06021
413.9253 92.56935
414.4074 96.16922
414.8896 99.46443
415.3717 102.5856
415.8538 105.8190
416.3359 109.4818
416.8180 113.1766
417.3001 116.3487
417.7823 119.0524
418.2644 121.9243
418.7465 125.2890
419.2286 129.0924
419.7107 133.3008
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420.6750 143.5057
421.1571 146.1381
421.6392 147.5426
422.1213 150.0443
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423.5677 165.6813
424.0498 168.9409
424.5319 172.4833
425.0140 176.5481
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