#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:11:16 +0300 (Thu, 26 Apr 2018) $
#$Revision: 455 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000026.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_1000026
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 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            R050291.rod
_rod_data_source.block           3500000
_rod_database.code               1000026
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
141.2172 0.0000000E+00
141.6993 1.6780000E-03
142.1814 0.5232930
142.6636 1.771637
143.1457 2.401749
143.6278 1.331299
144.1099 6.7176998E-02
144.5920 0.1567150
145.0741 0.6597440
145.5563 1.678879
146.0384 2.132629
146.5205 1.937553
147.0026 1.869263
147.4847 2.377510
147.9668 2.841949
148.4490 2.794029
148.9311 2.170685
149.4132 1.421867
149.8953 1.270737
150.3774 2.096107
150.8595 2.767120
151.3417 2.858971
151.8238 2.962570
152.3059 3.729523
152.7880 5.364166
153.2701 7.364662
153.7522 8.440193
154.2344 7.817398
154.7165 7.009270
155.1986 5.508690
155.6807 3.990288
156.1628 3.449600
156.6449 4.459297
157.1271 6.538773
157.6092 7.699272
158.0913 7.525169
158.5734 7.122437
159.0555 6.581184
159.5376 6.011284
160.0198 5.754700
160.5019 6.141403
160.9840 6.903137
161.4661 7.065186
161.9482 6.257858
162.4303 5.274063
162.9125 4.508125
163.3946 3.962677
163.8767 3.791641
164.3588 4.417786
164.8409 5.395187
165.3230 5.979034
165.8052 5.990326
166.2873 5.606567
166.7694 4.960457
167.2515 3.942108
167.7336 3.032356
168.2157 2.554497
168.6979 2.280235
169.1800 2.113663
169.6621 2.173622
170.1442 2.377007
170.6263 2.506546
171.1084 2.616096
171.5906 2.540710
172.0727 1.935989
172.5548 1.226967
173.0369 0.9569170
173.5190 1.628044
174.0011 3.088722
174.4833 4.049355
174.9654 3.848747
175.4475 3.770706
175.9296 4.183128
176.4117 4.915009
176.8938 5.611664
177.3760 5.993088
177.8581 6.046265
178.3402 6.289993
178.8223 6.805183
179.3044 7.404701
179.7865 8.219971
180.2687 9.107513
180.7508 9.675072
181.2329 9.525352
181.7150 8.564850
182.1971 8.045456
182.6792 8.215271
183.1614 8.547043
183.6435 8.928619
184.1256 9.282272
184.6077 9.267548
185.0898 8.436325
185.5719 6.728729
186.0540 5.503784
186.5362 5.056633
187.0183 4.949829
187.5004 4.930237
187.9825 4.991646
188.4646 4.799278
188.9467 3.713394
189.4289 2.006943
189.9110 0.8185580
190.3931 0.7403640
190.8752 1.230263
191.3573 1.456398
191.8394 1.307159
192.3216 1.042389
192.8037 0.8933330
193.2858 0.7963940
193.7679 0.5862050
194.2500 7.6069999E-03
194.7321 0.7601700
195.2143 1.129883
195.6964 0.9546360
196.1785 0.5502550
196.6606 2.6794000E-02
197.1427 0.6716460
197.6248 1.142616
198.1070 1.206131
198.5891 0.9120790
199.0712 0.7487490
199.5533 0.7393260
200.0354 0.8972470
200.5175 1.481087
200.9997 2.244522
201.4818 2.649796
201.9639 2.147392
202.4460 0.6987690
202.9281 0.2617650
203.4102 0.5225220
203.8924 0.4417190
204.3745 2.8357999E-02
204.8566 0.6636430
205.3387 1.599464
205.8208 2.853989
206.3029 4.569237
206.7851 5.256279
207.2672 3.907585
207.7493 2.593338
208.2314 2.154320
208.7135 2.516502
209.1956 3.149277
209.6778 3.596718
210.1599 3.841408
210.6420 3.989365
211.1241 3.647247
211.6062 3.557961
212.0883 4.343346
212.5705 5.862534
213.0526 7.353188
213.5347 8.143501
214.0168 8.132469
214.4989 8.011688
214.9810 7.627045
215.4632 7.260017
215.9453 7.183708
216.4274 7.381020
216.9095 7.502045
217.3916 7.221062
217.8737 6.516289
218.3559 5.881020
218.8380 4.986496
219.3201 4.370811
219.8022 4.756424
220.2843 6.195015
220.7664 7.570190
221.2486 7.892708
221.7307 7.370331
222.2128 6.921791
222.6949 6.609016
223.1770 6.429443
223.6591 6.386887
224.1413 6.482841
224.6234 6.707298
225.1055 7.246376
225.5876 7.898331
226.0697 8.262657
226.5518 8.010567
227.0340 7.581261
227.5161 7.567886
227.9982 8.022560
228.4803 8.460678
228.9624 8.515129
229.4445 8.455940
229.9267 8.687256
230.4088 9.583061
230.8909 10.67119
231.3730 10.89614
231.8551 9.821579
232.3372 8.946907
232.8194 8.874023
233.3015 9.332573
233.7836 10.15640
234.2657 11.44634
234.7478 12.77413
235.2299 13.03031
235.7121 11.51845
236.1942 10.33201
236.6763 10.14514
237.1584 10.51389
237.6405 11.05484
238.1227 11.65556
238.6048 12.25571
239.0869 12.50990
239.5690 12.00964
240.0511 11.76672
240.5332 11.93275
241.0154 12.42430
241.4975 13.23997
241.9796 14.38223
242.4617 15.67522
242.9438 16.65946
243.4259 17.14310
243.9081 17.65293
244.3902 18.32967
244.8723 18.97680
245.3544 19.36687
245.8365 19.41297
246.3186 19.26772
246.8007 19.29630
247.2829 19.55064
247.7650 19.96193
248.2471 20.60433
248.7292 21.35190
249.2113 22.15884
249.6934 22.99254
250.1756 23.73129
250.6577 24.13898
251.1398 24.12801
251.6219 23.84637
252.1040 22.90553
252.5861 21.89177
253.0683 21.46638
253.5504 21.81577
254.0325 22.45542
254.5146 22.52533
254.9967 21.39628
255.4788 20.74487
255.9610 21.03048
256.4431 21.56414
256.9252 21.75475
257.4073 21.44695
257.8894 20.80319
258.3716 20.01406
258.8537 18.93889
259.3358 18.19427
259.8179 17.99760
260.3000 18.00194
260.7821 18.00977
261.2643 17.95882
261.7464 17.67584
262.2285 16.89404
262.7106 15.43511
263.1927 14.28902
263.6748 13.55370
264.1570 13.08778
264.6391 12.95636
265.1212 13.12296
265.6033 13.06976
266.0854 12.12618
266.5675 10.26389
267.0497 9.250916
267.5318 10.19663
268.0139 11.26574
268.4960 10.64973
268.9781 8.351814
269.4602 6.278549
269.9424 6.077232
270.4245 7.468422
270.9066 7.976074
271.3887 6.805710
271.8708 5.296593
272.3529 4.429153
272.8351 4.183670
273.3172 4.153770
273.7993 4.269234
274.2814 4.359856
274.7635 3.955940
275.2456 2.462173
275.7278 1.129562
276.2099 1.105812
276.6920 2.221481
277.1741 3.075813
277.6562 2.953186
278.1383 2.163712
278.6204 1.414497
279.1025 0.5585100
279.5847 4.0413000E-02
280.0668 0.3832020
280.5489 1.433144
281.0310 2.286217
281.5131 2.668510
281.9952 2.643646
282.4774 2.350334
282.9595 1.774544
283.4416 1.104797
283.9237 0.2515490
284.4058 0.6607890
284.8879 1.069252
285.3701 0.6584930
285.8522 0.1043700
286.3343 0.7982100
286.8164 1.405548
287.2985 1.714111
287.7806 1.284882
288.2628 0.4277420
288.7449 0.2788310
289.2270 1.380615
289.7091 2.501495
290.1912 2.399979
290.6733 1.406380
291.1555 0.7076640
291.6376 1.228104
292.1197 2.401817
292.6018 2.809151
293.0839 2.122284
293.5660 1.288315
294.0482 0.9900360
294.5303 0.9908070
295.0124 0.8406450
295.4945 0.1237260
295.9766 0.7127990
296.4587 0.7308650
296.9409 0.3343810
297.4230 1.310997
297.9051 1.455788
298.3872 1.204155
298.8693 1.061676
299.3514 1.253555
299.8336 1.466194
300.3157 1.199203
300.7978 0.3491820
301.2799 0.3699870
301.7620 0.6727830
302.2441 0.7171780
302.7263 0.6007390
303.2084 0.3292080
303.6905 3.8474999E-02
304.1726 0.4055790
304.6547 0.7632290
305.1368 1.361015
305.6190 2.696373
306.1011 3.928711
306.5832 4.368736
307.0653 3.985756
307.5474 3.317368
308.0295 2.620766
308.5117 1.926353
308.9938 1.657639
309.4759 2.338493
309.9580 2.892738
310.4401 2.449623
310.9222 1.271965
311.4044 0.2170940
311.8865 4.1641001E-02
312.3686 0.2740710
312.8507 0.3260650
313.3328 9.2597999E-02
313.8149 0.4292830
314.2971 0.3745350
314.7792 5.9241999E-02
315.2613 0.4138030
315.7434 1.273445
316.2255 2.223206
316.7076 2.539047
317.1898 1.977165
317.6719 1.461243
318.1540 1.547661
318.6361 1.859001
319.1182 1.925034
319.6003 1.454659
320.0825 0.9105070
320.5646 1.180130
321.0467 2.465622
321.5288 3.439278
322.0109 3.326408
322.4930 2.942108
322.9752 2.938667
323.4573 3.422714
323.9394 3.985924
324.4215 4.382797
324.9036 4.606956
325.3857 4.292389
325.8679 2.771477
326.3500 1.308914
326.8321 0.8925090
327.3142 1.407043
327.7963 2.026672
328.2784 2.093163
328.7606 1.768227
329.2427 1.906746
329.7248 2.856422
330.2069 3.745979
330.6890 4.073235
331.1711 3.967049
331.6533 3.682205
332.1354 3.117004
332.6175 2.488281
333.0996 2.352150
333.5817 2.862305
334.0638 3.361191
334.5460 3.389519
335.0281 3.265038
335.5102 3.398346
335.9923 4.014847
336.4744 4.638969
336.9565 4.718353
337.4387 4.226852
337.9208 3.472466
338.4029 2.011116
338.8850 0.7230760
339.3671 0.6327510
339.8492 1.895569
340.3314 3.264435
340.8135 3.904190
341.2956 3.867607
341.7777 3.374405
342.2598 2.083672
342.7419 0.8153990
343.2241 0.1860350
343.7062 0.1785280
344.1883 0.6760250
344.6704 2.217041
345.1525 4.130959
345.6346 4.740875
346.1168 3.570221
346.5989 2.342278
347.0810 2.667809
347.5631 3.778900
348.0452 4.323418
348.5273 3.511398
349.0095 2.386101
349.4916 2.189262
349.9737 2.939209
350.4558 3.828621
350.9379 4.765594
351.4200 5.430504
351.9022 5.299759
352.3843 4.090233
352.8664 2.812157
353.3485 2.096153
353.8306 1.815598
354.3127 1.702271
354.7949 1.755066
355.2770 1.854706
355.7591 1.875023
356.2412 1.816360
356.7233 1.772514
357.2054 1.852798
357.6876 1.946991
358.1697 1.756866
358.6518 1.167007
359.1339 0.7552110
359.6160 1.343925
360.0981 2.699005
360.5803 3.439606
361.0624 2.852013
361.5445 2.023300
362.0266 1.866264
362.5087 2.313110
362.9908 2.791229
363.4730 3.052078
363.9551 3.067574
364.4372 2.784012
364.9193 1.906227
365.4014 1.240601
365.8835 1.431587
366.3657 2.039413
366.8478 2.084412
367.3299 1.170784
367.8120 9.5229998E-02
368.2941 0.7854610
368.7762 0.8590010
369.2584 0.6524050
369.7405 0.3187330
370.2226 1.286484
370.7047 1.175636
371.1868 8.1992999E-02
371.6689 1.246567
372.1511 1.111305
372.6332 0.4196930
373.1153 1.500519
373.5974 2.138702
374.0795 2.363121
374.5616 2.015991
375.0438 1.257538
375.5259 0.3942410
376.0080 0.4487080
376.4901 1.158813
376.9722 1.308975
377.4543 0.5293050
377.9365 0.3081210
378.4186 1.387024
378.9007 2.378342
379.3828 2.809097
379.8649 2.578804
380.3470 2.083374
380.8292 1.847191
381.3113 1.861076
381.7934 2.227234
382.2755 3.687935
382.7576 4.818626
383.2397 4.440475
383.7219 2.899696
384.2040 1.550308
384.6861 1.545334
385.1682 2.765976
385.6503 3.118073
386.1324 1.408875
386.6146 0.1168140
387.0967 2.3605000E-02
387.5788 0.3996120
388.0609 0.5355070
388.5430 2.6923999E-02
389.0251 0.6724320
389.5073 0.5677870
389.9894 0.9561080
390.4715 1.995270
390.9536 2.387291
391.4357 2.388245
391.9178 1.981613
392.4000 1.274590
392.8821 0.6017610
393.3642 0.2683560
393.8463 0.2783890
394.3284 0.5172420
394.8105 1.444519
395.2927 2.056908
395.7748 1.672165
396.2569 0.8180240
396.7390 0.4361570
397.2211 1.133957
397.7032 2.326691
398.1854 2.542755
398.6675 1.368874
399.1496 0.4740140
399.6317 0.4543460
400.1138 0.8138050
400.5959 1.310028
401.0780 1.878250
401.5602 2.318695
402.0423 2.334831
402.5244 1.970314
403.0065 1.839890
403.4886 2.167053
403.9707 2.518143
404.4529 2.336670
404.9350 1.898300
405.4171 2.031929
405.8992 3.944962
406.3813 6.196808
406.8634 6.125343
407.3456 3.446396
407.8277 1.047020
408.3098 0.3825070
408.7919 0.8799740
409.2740 1.639725
409.7561 2.916618
410.2383 3.652374
410.7204 2.555199
411.2025 0.3668370
411.6846 0.6230160
412.1667 0.3697510
412.6488 2.091919
413.1310 3.129913
413.6131 3.525543
414.0952 3.621605
414.5773 3.234222
415.0594 2.734772
415.5415 2.385071
416.0237 2.222107
416.5058 2.401344
416.9879 3.215004
417.4700 4.395790
417.9521 4.477173
418.4342 2.268181
418.9164 0.5786130
419.3985 0.4138030
419.8806 1.158669
420.3627 2.039551
420.8448 2.802437
421.3269 3.351868
421.8091 3.490723
422.2912 2.904633
422.7733 2.840225
423.2554 3.708458
423.7375 4.694847
424.2196 5.355095
424.7018 5.695404
425.1839 5.955566
425.6660 6.333824
426.1481 6.706017
426.6302 6.449509
427.1123 4.300156
427.5945 3.177025
428.0766 4.060875
428.5587 5.732292
429.0408 7.003830
429.5229 7.442642
430.0050 7.493706
430.4872 7.709251
430.9693 8.066681
431.4514 8.339317
431.9335 8.164742
432.4156 8.235359
432.8977 8.930679
433.3799 10.11160
433.8620 11.40048
434.3441 12.60468
434.8262 13.72349
435.3083 14.73080
435.7904 15.64043
436.2726 16.26289
436.7547 16.05307
437.2368 15.78905
437.7189 16.28504
438.2010 17.73454
438.6831 19.30325
439.1653 20.04778
439.6474 20.20391
440.1295 21.20965
440.6116 23.69191
441.0937 26.26089
441.5758 27.31017
442.0580 27.38719
442.5401 28.23668
443.0222 30.75700
443.5043 33.97266
443.9864 37.12392
444.4685 40.16962
444.9507 42.80565
445.4328 44.59477
445.9149 46.19553
446.3970 49.12444
446.8791 53.50139
447.3612 58.41512
447.8434 63.81974
448.3255 69.53322
448.8076 75.56117
449.2897 81.87328
449.7718 87.78619
450.2539 92.38210
450.7361 95.54517
451.2182 100.8327
451.7003 110.9978
452.1824 119.9525
452.6645 125.4650
453.1466 128.3167
453.6288 129.7637
454.1109 130.3486
454.5930 130.1815
455.0751 129.4876
455.5572 127.7457
456.0393 126.5022
456.5215 125.2879
457.0036 124.8700
457.4857 126.1667
457.9678 128.7677
458.4499 131.2868
458.9320 132.5664
459.4142 132.9072
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