#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:45:14 +0300 (Thu, 26 Apr 2018) $
#$Revision: 560 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000105.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_1000105
loop_
_publ_author_name
'Robinson, P. D.'
'Fang, J. H.'
'Ohya, Y.'
_publ_section_title
;
 The crystal structure of kainite Locality: Stassfurt, Germany
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1325
_journal_page_last               1332
_journal_volume                  57
_journal_year                    1972
_chemical_compound_source        R100021
_chemical_formula_sum            'Cl4 H22 K4 Mg4 O27 S4'
_chemical_name_mineral           Kainite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.92
_cell_angle_gamma                90
_cell_length_a                   19.72
_cell_length_b                   16.23
_cell_length_c                   9.53
_cell_volume                     3038.891
_exptl_crystal_density_diffrn    2.137
_cod_original_formula_sum        'K4 S4 Mg4 Cl4 O27 H22'
_cod_database_code               9000282
_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            R100021.rod
_rod_data_source.block           3500000
_rod_database.code               1000105
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 9000282 COD http://www.crystallography.net/cod/9000282.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
122.0364 0.0000000E+00
122.5186 1.469757
123.0007 2.505157
123.4828 1.123169
123.9649 0.3328550
124.4470 1.328491
124.9291 3.790771
125.4113 6.616119
125.8934 9.311890
126.3755 11.75903
126.8576 13.74634
127.3397 14.31964
127.8218 14.86328
128.3040 16.73642
128.7861 20.11868
129.2682 24.25208
129.7503 29.58249
130.2324 35.26312
130.7145 39.73471
131.1967 41.61343
131.6788 41.52530
132.1609 41.50543
132.6430 41.52805
133.1251 41.68954
133.6072 41.85959
134.0894 42.16153
134.5715 43.02313
135.0536 44.71793
135.5357 47.64615
136.0178 50.62012
136.4999 53.03360
136.9821 55.19568
137.4642 58.32895
137.9463 61.13950
138.4284 63.71835
138.9105 67.09961
139.3926 69.15421
139.8748 68.50510
140.3569 65.33212
140.8390 62.55798
141.3211 59.77383
141.8032 57.93097
142.2853 56.45230
142.7675 54.09265
143.2496 50.10284
143.7317 46.22717
144.2138 43.02777
144.6959 39.95761
145.1780 36.03906
145.6602 30.88373
146.1423 25.43604
146.6244 21.37756
147.1065 19.09555
147.5886 16.60342
148.0707 12.50925
148.5529 7.365723
149.0350 3.431274
149.5171 1.940002
149.9992 2.058746
150.4813 2.246460
150.9634 2.624756
151.4456 2.733917
151.9277 2.483917
152.4098 2.051112
152.8919 1.538422
153.3740 0.9606320
153.8561 1.1047000E-02
154.3383 0.2124330
154.8204 2.216980
155.3025 4.833832
155.7846 6.050568
156.2667 5.419495
156.7488 4.236237
157.2310 2.160828
157.7131 6.6528000E-02
158.1952 0.9992070
158.6773 0.4083250
159.1594 1.258759
159.6415 1.745697
160.1237 0.4091490
160.6058 2.089325
161.0879 2.643250
161.5700 2.432251
162.0521 1.938080
162.5342 1.437714
163.0164 0.9430540
163.4985 0.7652280
163.9806 0.8059690
164.4627 1.215576
164.9448 2.315308
165.4269 3.866730
165.9091 5.318848
166.3912 6.268860
166.8733 6.689453
167.3554 6.903076
167.8375 7.304382
168.3196 7.212616
168.8018 5.779755
169.2839 3.171722
169.7660 0.8706970
170.2481 0.1975400
170.7302 1.189972
171.2123 2.233337
171.6945 3.189484
172.1766 4.211212
172.6587 5.319733
173.1408 6.466766
173.6229 8.085541
174.1050 11.08603
174.5872 14.98465
175.0693 18.45648
175.5514 20.79999
176.0335 22.51486
176.5156 24.64008
176.9977 27.47842
177.4799 30.26059
177.9620 32.63950
178.4441 34.60123
178.9262 36.00720
179.4083 36.68378
179.8904 37.05530
180.3726 37.11948
180.8547 36.46298
181.3368 35.98605
181.8189 36.33292
182.3010 37.24780
182.7831 38.00888
183.2653 37.76950
183.7474 36.39554
184.2295 36.05066
184.7116 38.16165
185.1937 40.17114
185.6758 41.36057
186.1580 41.66055
186.6401 41.24023
187.1222 40.07797
187.6043 37.77274
188.0864 36.52191
188.5685 37.17331
189.0507 38.00571
189.5328 38.06982
190.0149 37.37311
190.4970 36.62381
190.9791 36.63528
191.4612 37.66376
191.9434 38.79886
192.4255 40.73718
192.9076 42.28745
193.3897 42.48535
193.8718 41.23233
194.3539 39.27777
194.8361 37.45514
195.3182 35.57788
195.8003 34.59009
196.2824 35.64578
196.7645 37.00168
197.2466 36.75183
197.7288 34.45364
198.2109 31.60077
198.6930 30.26642
199.1751 30.65839
199.6572 30.92090
200.1393 30.87457
200.6215 30.49615
201.1036 29.42813
201.5857 27.29382
202.0678 25.46478
202.5499 26.54288
203.0320 30.28281
203.5142 32.69724
203.9963 31.13681
204.4784 27.22650
204.9605 25.11273
205.4426 26.30307
205.9247 28.11789
206.4069 27.31860
206.8890 24.29041
207.3711 22.22958
207.8532 23.95691
208.3353 28.56607
208.8174 31.39551
209.2996 31.13660
209.7817 29.57877
210.2638 27.37198
210.7459 24.79672
211.2280 23.32471
211.7101 24.81705
212.1923 29.08240
212.6744 31.54883
213.1565 30.72995
213.6386 28.94772
214.1207 26.99966
214.6028 25.15167
215.0850 23.88571
215.5671 23.90854
216.0492 25.36539
216.5313 26.05615
217.0134 25.70209
217.4955 24.63632
217.9777 22.61227
218.4598 19.83707
218.9419 17.19943
219.4240 15.67166
219.9061 15.46298
220.3882 15.32373
220.8704 15.29648
221.3525 15.29855
221.8346 15.30667
222.3167 15.31931
222.7988 15.33148
223.2809 15.29916
223.7631 15.11932
224.2452 15.32870
224.7273 16.57394
225.2094 17.58151
225.6915 17.46844
226.1736 16.36212
226.6558 15.14090
227.1379 14.73697
227.6200 15.37469
228.1021 15.90176
228.5842 16.44208
229.0663 16.83334
229.5485 16.71136
230.0306 16.20703
230.5127 16.00534
230.9948 16.85037
231.4769 19.00330
231.9590 20.86069
232.4412 22.17572
232.9233 23.42215
233.4054 24.92023
233.8875 26.66769
234.3696 28.46527
234.8517 30.13861
235.3339 31.67181
235.8160 33.04770
236.2981 33.92542
236.7802 34.90201
237.2623 36.63513
237.7444 39.08722
238.2266 41.32385
238.7087 42.38885
239.1908 42.34225
239.6729 42.96085
240.1550 44.37985
240.6371 46.41867
241.1193 49.79010
241.6014 54.47940
242.0835 57.53571
242.5656 55.37335
243.0477 49.50427
243.5298 46.52487
244.0120 49.75720
244.4941 54.46298
244.9762 56.09219
245.4583 54.47101
245.9404 52.13721
246.4225 50.30667
246.9047 48.99609
247.3868 48.28445
247.8689 48.93173
248.3510 49.92529
248.8331 49.68588
249.3152 47.93427
249.7974 46.28430
250.2795 45.66907
250.7616 45.58109
251.2437 45.63626
251.7258 45.92932
252.2079 46.31247
252.6901 46.37756
253.1722 46.00769
253.6543 45.77917
254.1364 45.88925
254.6185 46.43420
255.1006 47.65991
255.5828 49.88281
256.0649 51.97961
256.5470 52.25323
257.0291 50.53981
257.5112 49.13916
257.9933 49.05023
258.4755 49.59525
258.9576 50.21954
259.4397 50.67064
259.9218 51.17232
260.4039 52.03824
260.8860 53.46152
261.3682 54.39732
261.8503 53.79695
262.3324 52.91739
262.8145 52.45013
263.2966 52.54034
263.7787 53.09113
264.2609 54.14850
264.7430 55.87993
265.2251 57.18584
265.7072 57.60182
266.1893 57.74937
266.6714 57.63959
267.1536 57.40260
267.6357 57.59979
268.1178 59.03493
268.5999 61.97697
269.0820 64.55383
269.5641 67.07291
270.0463 68.85228
270.5284 69.08215
271.0105 68.06122
271.4926 67.01907
271.9747 67.17079
272.4568 68.65482
272.9390 70.07652
273.4211 71.65598
273.9032 72.95889
274.3853 73.80515
274.8674 74.23608
275.3495 74.37483
275.8317 74.26620
276.3138 73.90756
276.7959 73.67477
277.2780 73.98364
277.7601 74.01334
278.2422 73.46248
278.7244 72.46141
279.2065 71.27930
279.6886 70.08136
280.1707 68.87662
280.6528 67.74091
281.1349 67.54727
281.6171 66.41301
282.0992 63.74722
282.5813 59.95963
283.0634 55.36157
283.5455 50.01320
284.0276 44.41315
284.5098 40.88730
284.9919 41.73524
285.4740 41.99033
285.9561 40.65187
286.4382 38.53461
286.9203 36.60811
287.4025 35.32552
287.8846 34.44049
288.3667 33.33832
288.8488 32.21533
289.3309 30.51373
289.8130 27.48788
290.2952 24.28656
290.7773 22.06705
291.2594 21.18823
291.7415 20.97639
292.2236 20.24927
292.7057 18.91028
293.1879 17.13498
293.6700 14.03369
294.1521 11.12415
294.6342 9.914276
295.1163 10.51572
295.5984 11.52386
296.0806 10.99538
296.5627 8.059860
297.0448 6.051682
297.5269 5.735886
298.0090 5.571198
298.4911 4.395111
298.9733 2.331680
299.4554 0.5085140
299.9375 0.1481020
300.4196 1.588135
300.9017 2.249924
301.3839 1.556107
301.8660 0.7863310
302.3481 0.3401490
302.8302 0.2611240
303.3123 0.6313480
303.7944 1.685394
304.2766 3.349625
304.7587 3.016327
305.2408 1.891937
305.7229 5.899902
306.2050 7.542862
306.6871 7.265076
307.1693 5.695206
307.6514 3.063202
308.1335 0.1480410
308.6156 1.670166
309.0977 0.7572170
309.5798 2.278824
310.0620 1.659500
310.5441 0.1364590
311.0262 0.7208710
311.5083 0.2798460
311.9904 0.9214780
312.4725 1.714966
312.9547 2.489258
313.4368 2.164307
313.9189 0.7946930
314.4010 3.848099
314.8831 4.452103
315.3652 2.185287
315.8474 0.7766570
316.3295 1.190536
316.8116 2.738892
317.2937 4.558563
317.7758 2.706726
318.2579 0.2345730
318.7401 1.120499
319.2222 1.170013
319.7043 0.5618290
320.1864 0.1306150
320.6685 0.9390870
321.1506 1.558548
321.6328 2.029022
322.1149 2.311859
322.5970 2.237366
323.0791 1.920670
323.5612 1.796234
324.0433 2.193832
324.5255 3.029984
325.0076 3.433640
325.4897 2.663269
325.9718 2.194870
326.4539 2.574326
326.9360 3.406128
327.4182 4.126358
327.9003 4.469284
328.3824 4.471176
328.8645 4.230881
329.3466 3.152771
329.8287 2.598679
330.3109 3.069931
330.7930 3.836334
331.2751 4.193939
331.7572 3.958160
332.2393 3.488388
332.7214 3.352890
333.2036 3.780396
333.6857 4.018600
334.1678 3.903412
334.6499 3.763336
335.1320 3.606873
335.6141 3.557419
336.0963 4.027405
336.5784 5.651001
337.0605 8.770706
337.5426 10.07468
338.0247 7.316635
338.5068 5.071350
338.9890 5.419876
339.4711 7.493698
339.9532 9.258392
340.4353 9.320450
340.9174 7.984177
341.3995 7.222900
341.8817 7.493561
342.3638 7.847198
342.8459 8.452484
343.3280 8.946320
343.8101 8.765945
344.2922 7.673447
344.7744 6.218170
345.2565 5.606903
345.7386 6.206909
346.2207 6.995468
346.7028 8.209442
347.1849 9.332901
347.6671 10.01340
348.1492 10.18201
348.6313 9.949860
349.1134 9.349228
349.5955 8.234375
350.0776 7.411224
350.5598 6.968704
351.0419 6.746399
351.5240 6.997818
352.0061 7.456192
352.4882 7.422501
352.9703 6.077255
353.4525 3.677032
353.9346 2.964691
354.4167 5.562653
354.8988 7.719620
355.3809 8.027237
355.8630 7.372665
356.3452 6.921173
356.8273 7.196320
357.3094 8.012054
357.7915 9.165451
358.2736 11.11142
358.7557 12.21796
359.2379 11.60826
359.7200 10.37369
360.2021 9.271973
360.6842 8.473511
361.1663 7.773697
361.6484 6.712173
362.1306 5.188034
362.6127 4.639969
363.0948 6.192001
363.5769 7.442245
364.0590 7.118256
364.5411 5.567841
365.0233 3.989487
365.5054 3.227097
365.9875 3.165176
366.4696 2.939270
366.9517 2.294830
367.4338 1.645172
367.9160 1.327698
368.3981 1.326660
368.8802 1.551865
369.3623 2.121857
369.8444 2.537964
370.3265 1.737747
370.8087 0.5575560
371.2908 1.460907
371.7729 1.970016
372.2550 6.169662
372.7371 7.250854
373.2192 4.486450
373.7014 1.002808
374.1835 1.005737
374.6656 1.572067
375.1477 1.603226
375.6298 1.158936
376.1119 0.4178160
376.5941 0.6723630
377.0762 2.074402
377.5583 3.090195
378.0404 3.463181
378.5225 3.282455
379.0046 2.302872
379.4868 0.3868560
379.9689 0.9227600
380.4510 4.8324998E-02
380.9331 0.1950368
381.4152 0.6991425
381.8973 1.026352
382.3795 1.283340
382.8616 1.785141
383.3437 0.8099210
383.8258 0.4494630
384.3079 1.733475
384.7900 2.724976
385.2722 2.511093
385.7543 0.6249540
386.2364 0.5512700
386.7185 0.2379760
387.2006 1.086731
387.6827 3.238022
388.1649 6.183853
388.6470 8.672150
389.1291 9.184601
389.6112 7.361435
390.0933 6.576157
390.5754 7.765030
391.0576 9.154358
391.5397 9.729919
392.0218 9.563583
392.5039 9.031174
392.9860 8.239655
393.4681 7.412155
393.9503 7.685150
394.4324 10.72278
394.9145 12.72432
395.3966 11.95900
395.8787 10.32330
396.3608 10.30508
396.8430 12.62610
397.3251 15.79510
397.8072 17.55766
398.2893 17.36301
398.7714 17.13466
399.2535 16.90245
399.7357 16.62410
400.2178 16.01994
400.6999 15.29817
401.1820 15.10611
401.6641 16.04895
402.1462 17.98918
402.6284 19.20547
403.1105 18.65588
403.5926 18.62057
404.0747 20.19167
404.5568 22.21373
405.0389 23.14302
405.5211 22.38606
406.0032 20.95894
406.4853 20.57549
406.9674 21.35655
407.4495 22.83052
407.9316 26.26952
408.4138 29.32155
408.8959 29.98819
409.3780 28.70972
409.8601 27.97989
410.3422 30.30344
410.8243 35.19237
411.3065 38.74730
411.7886 40.70497
412.2707 41.73080
412.7528 41.36037
413.2349 40.55025
413.7170 40.83545
414.1992 43.08446
414.6813 45.85123
415.1634 46.84814
415.6455 45.93475
416.1276 46.00844
416.6097 48.49170
417.0919 51.85492
417.5740 54.32507
418.0561 55.84943
418.5382 57.80495
419.0203 60.74593
419.5024 64.66168
419.9846 70.00201
420.4667 77.23279
420.9488 83.91376
421.4309 87.21529
421.9130 88.21365
422.3951 90.97679
422.8773 97.65631
423.3594 105.0115
423.8415 110.3448
424.3236 113.8390
424.8057 117.5214
425.2878 122.3776
425.7700 128.4316
426.2521 135.6961
426.7342 144.6767
427.2163 152.9438
427.6984 159.4100
428.1805 165.5061
428.6627 172.5723
429.1448 180.8489
429.6269 190.1431
430.1090 200.2452
430.5911 211.2513
431.0732 222.2797
431.5554 232.2936
432.0375 243.6429
432.5196 257.6214
433.0017 273.0797
433.4838 288.8153
433.9659 304.4020
434.4481 319.3490
434.9302 332.6701
435.4123 343.8219
435.8944 354.3016
436.3765 364.4416
436.8586 373.4093
437.3408 380.7414
437.8229 386.4355
438.3050 390.6172
438.7871 392.9252
439.2692 393.5200
439.7513 395.3585
440.2335 399.4958
440.7156 403.4958
441.1977 406.6314
441.6798 409.1957
442.1619 411.7015
442.6440 414.4358
443.1262 416.7954
443.6083 417.7690
444.0904 417.2515
444.5725 416.4613
445.0546 415.6078
445.5367 414.5131
446.0189 413.0481
446.5010 411.2429
446.9831 409.2795
447.4652 408.3673
447.9473 407.0230
448.4294 401.9716
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