#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:21:05 +0300 (Thu, 24 May 2018) $
#$Revision: 664 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000191.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_1000191
loop_
_publ_author_name
'Araki, T.'
'Zoltai, T.'
_publ_section_title
;
 The crystal structure of hanksite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              799
_journal_page_last               801
_journal_volume                  58
_journal_year                    1973
_chemical_compound_source        R050291
_chemical_formula_sum            'C2 Cl K Na22 O42 S9'
_chemical_name_mineral           Hanksite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.465
_cell_length_b                   10.465
_cell_length_c                   21.191
_cell_volume                     2009.836
_exptl_crystal_density_diffrn    2.586
_cod_original_formula_sum        'K Na22 C2 S9 O42 Cl'
_cod_database_code               9000374
_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            R050291.rod
_rod_data_source.block           3500000
_rod_database.code               1000191
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 9000374 COD http://www.crystallography.net/cod/9000374.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
141.0473 0.0000000E+00
141.5294 0.5710450
142.0115 0.4582820
142.4937 1.502228
142.9758 2.978119
143.4579 4.229401
143.9400 8.024658
144.4221 9.817169
144.9042 8.130310
145.3864 5.830994
145.8685 3.647675
146.3506 0.8762210
146.8327 0.9254760
147.3148 1.125519
147.7969 1.158691
148.2791 3.041687
148.7612 4.669586
149.2433 5.894653
149.7254 6.357330
150.2075 4.515839
150.6896 3.256714
151.1718 3.693878
151.6539 7.483063
152.1360 10.53665
152.6181 12.66330
153.1002 13.99524
153.5823 14.90558
154.0645 15.13785
154.5466 15.17590
155.0287 15.22748
155.5108 14.84402
155.9929 15.03134
156.4750 16.43655
156.9572 18.68643
157.4393 20.23630
157.9214 20.32809
158.4035 19.89600
158.8856 19.52600
159.3677 20.10242
159.8499 20.00171
160.3320 18.37653
160.8141 15.48798
161.2962 12.86102
161.7783 11.41046
162.2604 10.29895
162.7426 8.835724
163.2247 5.208771
163.7068 2.589905
164.1889 3.288849
164.6710 7.029816
165.1531 9.909790
165.6353 9.064209
166.1174 6.675018
166.5995 5.090393
167.0816 5.802216
167.5637 7.091461
168.0458 7.883789
168.5280 8.149567
169.0101 8.400818
169.4922 8.856171
169.9743 9.509705
170.4564 10.35315
170.9385 12.19183
171.4207 13.73807
171.9028 13.18582
172.3849 10.34818
172.8670 8.220825
173.3491 9.391235
173.8312 12.89334
174.3134 16.89337
174.7955 20.80194
175.2776 24.61618
175.7597 28.49927
176.2418 32.57016
176.7239 36.03561
177.2061 37.34357
177.6882 37.39819
178.1703 38.61511
178.6524 43.82443
179.1345 50.56012
179.6166 54.40665
180.0988 54.89096
180.5809 53.93396
181.0630 53.33466
181.5451 53.05145
182.0272 52.94162
182.5093 53.40826
182.9915 53.97290
183.4736 53.32346
183.9557 51.19400
184.4378 48.47952
184.9199 46.39343
185.4020 44.86368
185.8842 43.08871
186.3663 40.56158
186.8484 37.41525
187.3305 34.08334
187.8126 30.39972
188.2947 26.97427
188.7769 24.93851
189.2590 24.23904
189.7411 23.78467
190.2232 23.27274
190.7053 22.59970
191.1874 20.93057
191.6696 17.93033
192.1517 14.39420
192.6338 11.31979
193.1159 8.664429
193.5980 7.486969
194.0801 9.814880
194.5623 15.21756
195.0444 17.03113
195.5265 13.58371
196.0086 7.773712
196.4907 6.194092
196.9728 9.321960
197.4550 12.63428
197.9371 13.10629
198.4192 10.68509
198.9013 8.884674
199.3834 8.028809
199.8655 7.856171
200.3477 7.685059
200.8298 7.440826
201.3119 7.554871
201.7940 8.723572
202.2761 11.17673
202.7582 12.00073
203.2404 10.36914
203.7225 7.371307
204.2046 6.002960
204.6867 6.425232
205.1688 7.778198
205.6509 9.918640
206.1331 13.01376
206.6152 15.14847
207.0973 15.88779
207.5794 15.69711
208.0615 15.94717
208.5436 16.64911
209.0258 17.76093
209.5079 19.52170
209.9900 22.27908
210.4721 23.89816
210.9542 23.74542
211.4363 22.49051
211.9185 22.42456
212.4006 23.80078
212.8827 25.82275
213.3648 28.25436
213.8469 31.58286
214.3290 33.60095
214.8112 33.92804
215.2933 32.86649
215.7754 31.39230
216.2575 29.27335
216.7396 27.16537
217.2217 25.50565
217.7038 24.47003
218.1860 23.26190
218.6681 21.43765
219.1502 19.46600
219.6323 19.43332
220.1144 22.62766
220.5965 25.56119
221.0787 26.02908
221.5608 22.95142
222.0429 20.40677
222.5250 18.89810
223.0071 18.07352
223.4892 16.58188
223.9714 13.82758
224.4535 11.33533
224.9356 9.861938
225.4177 9.469604
225.8998 10.10608
226.3819 12.41968
226.8641 15.68924
227.3462 17.18274
227.8283 15.84256
228.3104 14.38519
228.7925 14.42786
229.2746 16.82837
229.7568 18.36206
230.2389 18.38214
230.7210 17.49969
231.2031 17.76276
231.6852 19.61026
232.1673 21.78317
232.6495 23.87659
233.1316 26.22733
233.6137 27.72314
234.0958 27.89227
234.5779 27.23401
235.0600 27.31085
235.5422 28.62854
236.0243 30.02667
236.5064 30.77515
236.9885 30.16479
237.4706 30.63437
237.9527 32.77890
238.4349 35.85025
238.9170 37.87076
239.3991 38.04208
239.8812 38.34888
240.3633 39.62286
240.8454 42.11694
241.3276 44.99637
241.8097 48.50436
242.2918 52.27557
242.7739 55.41898
243.2560 57.47443
243.7381 59.66608
244.2203 62.48190
244.7024 66.53702
245.1845 69.71570
245.6666 71.61050
246.1487 72.82660
246.6308 74.50192
247.1130 76.50021
247.5951 79.20541
248.0772 83.06326
248.5593 88.89551
249.0414 92.90042
249.5235 94.58548
250.0057 94.74878
250.4878 94.66461
250.9699 94.25961
251.4520 93.72287
251.9341 93.16406
252.4162 92.65918
252.8984 91.71777
253.3805 90.13849
253.8626 88.26105
254.3447 86.59000
254.8268 85.04462
255.3089 83.82697
255.7911 83.10263
256.2732 82.98624
256.7553 82.84439
257.2374 82.73581
257.7195 82.24677
258.2017 80.77429
258.6838 77.88062
259.1659 75.12686
259.6480 73.04419
260.1301 71.74155
260.6122 69.58899
261.0944 66.27194
261.5765 62.42416
262.0586 58.56177
262.5407 54.56845
263.0228 50.94965
263.5049 47.97449
263.9871 45.58167
264.4692 42.82278
264.9513 39.55008
265.4334 36.39392
265.9155 33.77176
266.3976 31.97165
266.8798 30.17749
267.3619 28.26093
267.8440 26.22473
268.3261 24.14404
268.8082 21.90424
269.2903 19.86160
269.7725 18.38766
270.2546 17.62839
270.7367 16.86038
271.2188 16.02286
271.7009 15.09808
272.1830 13.89285
272.6652 12.27338
273.1473 10.75745
273.6294 9.582245
274.1115 8.696198
274.5936 8.536102
275.0757 9.205322
275.5579 10.57291
276.0400 12.72131
276.5221 16.13501
277.0042 18.37207
277.4863 17.44006
277.9684 13.05569
278.4506 9.331787
278.9327 6.464600
279.4148 4.496368
279.8969 3.800049
280.3790 4.570068
280.8611 5.367950
281.3433 5.290070
281.8254 4.362610
282.3075 4.235687
282.7896 5.181458
283.2717 6.449829
283.7538 7.058136
284.2360 7.053436
284.7181 6.099030
285.2002 3.493134
285.6823 0.4628300
286.1644 3.149170
286.6465 4.449310
287.1287 4.837189
287.6108 4.839264
288.0929 4.455780
288.5750 3.566498
289.0571 1.592377
289.5392 0.9499510
290.0214 1.912811
290.5035 1.258606
290.9856 0.1736150
291.4677 6.9885001E-02
291.9498 0.3910830
292.4319 0.6566470
292.9141 0.1586000
293.3962 0.5464480
293.8783 0.1865540
294.3604 2.381439
294.8425 4.478394
295.3246 4.999969
295.8068 4.317963
296.2889 3.653229
296.7710 3.304901
297.2531 3.106232
297.7352 2.809235
298.2173 2.419159
298.6995 1.965210
299.1816 1.388885
299.6637 0.7672420
300.1458 0.1581730
300.6279 0.6493840
301.1100 0.9834290
301.5922 0.6578060
302.0743 3.742401
302.5564 6.125275
303.0385 6.042694
303.5206 4.714508
304.0027 3.738159
304.4849 3.317139
304.9670 3.251831
305.4491 3.653137
305.9312 4.308746
306.4133 4.710541
306.8954 4.259399
307.3776 3.627319
307.8597 3.600708
308.3418 4.289764
308.8239 4.966675
309.3060 4.961609
309.7881 4.622345
310.2703 4.490753
310.7524 5.011963
311.2345 5.662140
311.7166 6.387909
312.1987 7.141754
312.6808 6.981628
313.1630 4.275482
313.6451 0.7804260
314.1272 1.637421
314.6093 1.997864
315.0914 1.481384
315.5735 3.9032001E-02
316.0557 2.058746
316.5378 3.386505
317.0199 2.039368
317.5020 0.4422000
317.9841 0.5398560
318.4662 4.590576
318.9484 7.638275
319.4305 7.319580
319.9126 4.692352
320.3947 2.532959
320.8768 2.219604
321.3589 2.145294
321.8411 1.284882
322.3232 1.430298
322.8053 2.685089
323.2874 0.3578190
323.7695 3.596527
324.2516 6.081451
324.7338 4.958038
325.2159 3.826294
325.6980 4.055328
326.1801 6.235413
326.6622 7.379486
327.1443 6.001831
327.6265 4.059509
328.1086 3.531128
328.5907 6.269440
329.0728 8.391937
329.5549 9.145935
330.0370 8.524261
330.5192 8.133301
331.0013 8.252960
331.4834 8.368378
331.9655 8.127655
332.4476 7.422699
332.9297 6.507965
333.4119 5.134399
333.8940 3.534363
334.3761 2.856445
334.8582 3.622253
335.3403 4.485931
335.8224 4.761261
336.3046 4.275452
336.7867 3.580841
337.2688 2.278503
337.7509 1.072571
338.2330 1.785034
338.7151 5.250641
339.1973 7.985535
339.6794 8.438782
340.1615 6.498230
340.6436 4.531281
341.1257 2.261017
341.6078 0.6191410
342.0899 1.477509
342.5721 5.099274
343.0542 7.532043
343.5363 7.113007
344.0184 4.464691
344.5005 2.939026
344.9826 2.689087
345.4648 2.636047
345.9469 1.402496
346.4290 0.6853030
346.9111 0.9545290
347.3932 1.714264
347.8753 5.456177
348.3575 6.751984
348.8396 5.745880
349.3217 4.192200
349.8038 2.509491
350.2859 1.120270
350.7680 1.564148
351.2502 4.397003
351.7323 7.514587
352.2144 8.341736
352.6965 7.335907
353.1786 5.884705
353.6607 3.970032
354.1429 2.340607
354.6250 2.220459
355.1071 3.707001
355.5892 5.349670
356.0713 6.254852
356.5534 6.557709
357.0356 6.446075
357.5177 5.731537
357.9998 4.831390
358.4819 4.110992
358.9640 3.528198
359.4461 2.796967
359.9283 1.057739
360.4104 0.6992800
360.8925 1.592560
361.3746 1.072449
361.8567 0.2969360
362.3388 0.3289180
362.8210 0.8609620
363.3031 1.447784
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364.2673 3.114746
364.7494 3.530701
365.2315 3.379791
365.7137 3.488953
366.1958 4.791290
366.6779 6.169464
367.1600 6.319702
367.6421 2.873322
368.1242 0.4880370
368.6064 0.7621770
369.0885 3.891022
369.5706 5.616638
370.0527 5.017822
370.5348 3.749603
371.0169 2.771606
371.4991 1.348206
371.9812 1.409851
372.4633 4.425598
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373.9096 8.260803
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376.3202 1.662720
376.8023 1.196106
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377.7666 2.771667
378.2487 3.325806
378.7308 2.012238
379.2129 0.6725160
379.6950 0.9939270
380.1772 1.220734
380.6593 4.125580
381.1414 6.827332
381.6235 9.128418
382.1056 9.393188
382.5877 6.515747
383.0699 2.497467
383.5520 1.613678
384.0341 3.554016
384.5162 5.190613
384.9983 3.759827
385.4804 0.7023010
385.9626 0.7856450
386.4447 0.2426450
386.9268 1.113037
387.4089 2.441376
387.8910 3.651093
388.3731 4.501953
388.8553 4.921570
389.3374 4.913452
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390.3016 2.827667
390.7837 1.744690
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391.7480 2.231720
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393.1943 2.906219
393.6764 2.913727
394.1585 2.816040
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395.1228 1.058167
395.6049 4.8827998E-02
396.0870 8.4229996E-03
396.5691 1.741089
397.0512 3.242950
397.5334 4.523865
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402.3545 1.627197
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417.7823 6.314148
418.2644 7.790253
418.7465 9.626251
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420.1928 7.480652
420.6750 4.755585
421.1571 4.659027
421.6392 6.530273
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422.6034 11.63324
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424.0498 12.66501
424.5319 11.91193
425.0140 14.32721
425.4961 17.13223
425.9782 17.37894
426.4604 11.70956
426.9425 8.492950
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427.9067 15.17529
428.3888 18.16675
428.8709 17.82849
429.3531 17.12418
429.8352 17.78470
430.3173 20.11951
430.7994 22.23956
431.2815 24.18610
431.7636 25.73630
432.2458 25.88962
432.7279 24.46783
433.2100 24.61539
433.6921 28.10751
434.1742 33.92740
434.6563 38.37762
435.1385 41.50031
435.6206 43.80911
436.1027 45.34921
436.5848 46.42102
437.0669 47.60873
437.5490 48.71152
438.0312 50.88300
438.5133 56.67249
438.9954 64.72864
439.4775 71.28589
439.9596 72.86282
440.4417 73.07346
440.9239 74.94931
441.4060 78.67178
441.8881 83.52823
442.3702 89.07019
442.8523 95.51135
443.3344 103.1077
443.8166 112.0668
444.2987 122.0045
444.7808 132.2986
445.2629 143.3842
445.7450 156.6725
446.2271 173.4387
446.7093 191.2598
447.1914 209.0071
447.6735 226.0901
448.1556 245.1441
448.6377 266.9711
449.1198 290.0417
449.6020 312.8033
450.0841 333.8840
450.5662 356.9848
451.0483 384.6722
451.5304 414.8650
452.0125 437.8622
452.4947 453.5965
452.9768 462.6776
453.4589 464.9114
453.9410 460.2013
454.4231 451.4014
454.9052 437.9592
455.3874 422.2793
455.8695 405.9361
456.3516 389.2618
456.8337 375.2282
457.3158 364.6417
457.7979 357.1799
458.2801 353.7263
458.7622 353.6254
459.2443 352.5426
459.7264 347.2254
460.2085 339.3230
460.6906 330.7179
461.1728 321.4961
461.6549 312.5129
462.1370 304.0964
462.6191 296.6452
463.1012 290.9480
463.5833 288.2788
464.0655 286.4717
464.5476 284.5607
465.0297 282.6571
465.5118 281.4697
465.9939 283.3246
466.4760 284.3352
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