#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:34:15 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1154 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000573.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_1000573
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 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            R050341.rod
_rod_data_source.block           3500000
_rod_database.code               1000573
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
94.93402 0.0000000E+00
95.41614 1.788544
95.89825 2.016510
96.38037 1.822495
96.86249 1.094147
97.34460 0.5851590
97.82672 0.2122340
98.30884 1.1856000E-02
98.79095 1.469803
99.27306 3.685623
99.75518 6.345963
100.2373 10.14667
100.7194 15.11826
101.2015 20.08813
101.6836 24.53419
102.1658 29.19397
102.6479 34.60219
103.1300 40.75276
103.6121 47.36363
104.0942 55.01625
104.5763 62.97229
105.0585 69.82907
105.5406 74.98276
106.0227 78.83104
106.5048 82.41229
106.9869 85.97256
107.4690 88.42061
107.9512 88.94684
108.4333 87.97498
108.9154 86.61719
109.3975 85.72687
109.8796 85.34439
110.3617 85.11650
110.8439 85.06302
111.3260 85.13518
111.8081 85.57404
112.2902 86.28217
112.7723 86.77760
113.2544 86.32642
113.7366 84.25928
114.2187 83.01172
114.7008 82.97720
115.1829 83.60657
115.6650 84.93240
116.1471 86.59911
116.6293 88.11774
117.1114 90.55075
117.5935 94.47440
118.0756 98.97826
118.5577 103.9915
119.0398 109.1818
119.5220 113.8997
120.0041 117.1747
120.4862 119.3418
120.9683 121.9185
121.4504 125.5819
121.9325 128.6644
122.4147 129.6047
122.8968 128.2576
123.3789 126.4052
123.8610 125.3117
124.3431 124.0637
124.8252 121.7315
125.3074 117.9992
125.7895 113.0499
126.2716 107.0595
126.7537 99.32346
127.2358 91.84389
127.7179 85.57640
128.2001 79.83690
128.6822 73.58156
129.1643 66.09511
129.6464 57.49323
130.1285 49.68817
130.6106 42.84883
131.0928 36.67894
131.5749 31.31451
132.0570 26.63211
132.5391 22.34409
133.0212 18.21561
133.5033 14.17291
133.9855 10.86484
134.4676 8.718414
134.9497 6.797501
135.4318 4.405380
135.9139 1.551682
136.3960 1.075119
136.8782 2.631241
137.3603 2.893661
137.8424 2.995239
138.3245 2.770157
138.8066 2.499435
139.2887 2.603226
139.7709 3.252457
140.2530 3.959854
140.7351 4.067696
141.2172 3.644203
141.6993 3.113342
142.1814 2.579895
142.6636 2.065155
143.1457 1.697479
143.6278 1.770737
144.1099 1.671921
144.5920 0.8368990
145.0741 0.7217560
145.5563 2.413803
146.0384 3.682739
146.5205 4.460480
147.0026 5.380676
147.4847 6.778801
147.9668 8.213928
148.4490 9.385117
148.9311 10.24533
149.4132 11.06496
149.8953 12.23814
150.3774 13.85593
150.8595 15.71040
151.3417 18.03992
151.8238 20.40238
152.3059 22.46306
152.7880 24.44173
153.2701 26.08390
153.7522 27.59235
154.2344 28.74397
154.7165 29.99088
155.1986 31.32706
155.6807 32.76832
156.1628 34.40417
156.6449 36.29910
157.1271 38.32310
157.6092 39.91625
158.0913 40.65121
158.5734 41.52623
159.0555 42.85909
159.5376 44.55128
160.0198 46.36014
160.5019 48.18439
160.9840 50.01077
161.4661 51.79517
161.9482 53.75498
162.4303 55.46426
162.9125 56.54515
163.3946 57.01833
163.8767 57.34013
164.3588 57.66710
164.8409 58.04454
165.3230 58.55355
165.8052 59.26469
166.2873 60.06252
166.7694 60.81374
167.2515 61.52804
167.7336 62.17712
168.2157 62.72264
168.6979 63.20575
169.1800 63.66811
169.6621 64.11970
170.1442 64.57040
170.6263 65.00256
171.1084 65.19486
171.5906 65.76633
172.0727 67.01090
172.5548 68.66864
173.0369 70.41861
173.5190 72.10932
174.0011 73.70926
174.4833 74.97314
174.9654 75.35960
175.4475 75.93888
175.9296 76.99308
176.4117 78.40638
176.8938 79.98037
177.3759 81.60490
177.8581 83.29232
178.3402 84.54668
178.8223 85.01904
179.3044 85.46095
179.7865 86.21043
180.2686 87.18078
180.7508 88.09125
181.2329 88.75075
181.7150 89.15768
182.1971 88.86772
182.6792 87.21968
183.1613 85.53133
183.6435 84.64995
184.1256 84.56963
184.6077 84.57872
185.0898 83.90709
185.5719 82.53938
186.0540 82.09686
186.5362 83.17057
187.0183 84.86467
187.5004 86.48494
187.9825 87.97355
188.4646 89.22684
188.9467 89.82863
189.4289 90.00998
189.9110 90.79416
190.3931 92.74800
190.8752 95.34424
191.3573 97.88033
191.8394 100.4069
192.3216 102.5866
192.8037 104.0653
193.2858 104.9957
193.7679 105.6543
194.2500 106.2751
194.7321 106.7438
195.2143 106.5564
195.6964 105.4135
196.1785 104.0637
196.6606 103.1474
197.1427 102.3662
197.6248 101.0944
198.1070 99.02077
198.5891 96.18254
199.0712 92.56196
199.5533 87.48701
200.0354 82.30663
200.5175 77.42844
200.9997 72.86252
201.4818 68.55365
201.9639 64.52912
202.4460 60.83672
202.9281 57.38567
203.4102 54.38712
203.8924 51.37690
204.3745 47.82779
204.8566 44.07745
205.3387 41.04647
205.8208 39.65624
206.3029 40.14352
206.7851 39.92270
207.2672 38.40941
207.7493 36.82384
208.2314 35.62927
208.7135 34.80395
209.1956 34.07394
209.6778 33.15781
210.1599 31.97487
210.6420 31.31400
211.1241 31.62920
211.6062 31.95928
212.0883 31.69724
212.5705 30.91328
213.0526 30.17746
213.5347 30.05875
214.0168 30.66370
214.4989 30.74535
214.9810 30.11993
215.4632 29.16650
215.9453 28.01205
216.4274 26.70122
216.9095 25.42780
217.3916 24.35406
217.8737 23.49528
218.3559 22.71111
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219.3201 21.80284
219.8022 20.39410
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221.7307 14.37157
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222.6949 13.42774
223.1770 12.62054
223.6591 10.95424
224.1413 8.250443
224.6234 5.865814
225.1055 5.128311
225.5876 5.398438
226.0697 5.604050
226.5518 5.539383
227.0340 5.223457
227.5161 4.616386
227.9982 3.635056
228.4803 2.647568
228.9624 1.775909
229.4445 1.051651
229.9267 0.5546040
230.4088 0.3937910
230.8909 0.4190370
231.3730 0.3310780
231.8551 5.7296999E-02
232.3372 0.1403730
232.8194 0.1159820
233.3015 2.4727000E-02
233.7836 0.1416320
234.2657 0.1381070
234.7478 0.1406710
235.2299 0.5105820
235.7121 1.580406
236.1942 2.335976
236.6763 2.340851
237.1584 1.990753
237.6405 1.662132
238.1226 1.501442
238.6048 1.501358
239.0869 1.652184
239.5690 2.014938
240.0511 2.437721
240.5332 2.807861
241.0153 3.245163
241.4975 3.945869
241.9796 5.000381
242.4617 6.176949
242.9438 6.829636
243.4259 6.316414
243.9080 6.306610
244.3902 7.422722
244.8723 8.861046
245.3544 9.832176
245.8365 10.03702
246.3186 9.783691
246.8007 9.769470
247.2829 10.10447
247.7650 10.55607
248.2471 11.00816
248.7292 11.61407
249.2113 12.59210
249.6934 13.99754
250.1756 15.59610
250.6577 16.93049
251.1398 17.76490
251.6219 18.68325
252.1040 19.68130
252.5861 20.71666
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253.5504 23.00605
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259.3358 28.22554
259.8179 27.20037
260.3000 25.86736
260.7821 25.25700
261.2643 25.50531
261.7464 25.70963
262.2285 24.85206
262.7106 22.63214
263.1927 20.43454
263.6748 17.90321
264.1570 15.55347
264.6391 14.06001
265.1212 13.46288
265.6033 12.96901
266.0854 11.74386
266.5675 9.764473
267.0497 8.467506
267.5318 8.556610
268.0139 8.877060
268.4960 8.440262
268.9781 7.218948
269.4602 5.923958
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270.4244 4.672836
270.9066 4.169281
271.3887 3.392685
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272.8350 2.145134
273.3171 2.064407
273.7993 1.836395
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274.7635 1.169289
275.2456 0.6203080
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276.6920 2.273155
277.1741 3.345459
277.6562 3.640999
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279.1025 2.245674
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280.0668 2.389679
280.5489 3.726364
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281.9952 4.961952
282.4774 5.458588
282.9595 6.609932
283.4416 7.724670
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284.4058 8.416496
284.8879 8.773575
285.3701 9.641144
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286.3343 11.13177
286.8164 11.32140
287.2985 11.38216
287.7806 11.27838
288.2628 11.12555
288.7449 11.33869
289.2270 12.11250
289.7091 13.01521
290.1912 13.69761
290.6733 14.20802
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293.5660 18.12886
294.0482 18.03447
294.5303 17.51821
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295.9766 16.38177
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298.3872 16.63979
298.8693 16.24785
299.3514 15.42542
299.8336 14.45738
300.3157 13.73425
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301.2799 12.81846
301.7620 12.28223
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408.7919 15.98914
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410.2383 16.03403
410.7204 16.64738
411.2025 17.80232
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419.8806 33.21693
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