#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:48:22 +0300 (Thu, 24 May 2018) $
#$Revision: 786 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000282.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_1000282
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 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            R100021.rod
_rod_data_source.block           3500000
_rod_database.code               1000282
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
155.1714 0.0000000E+00
155.6535 0.5017970
156.1356 0.8151210
156.6177 0.8461880
157.0999 0.4153330
157.5820 3.1199999E-02
158.0641 0.1666030
158.5462 0.1634640
159.0283 0.2798770
159.5104 0.7741360
159.9926 1.065620
160.4747 0.8077200
160.9568 0.6199380
161.4389 0.6843720
161.9210 0.9800760
162.4031 1.411751
162.8853 2.126347
163.3674 2.873325
163.8495 3.423336
164.3316 3.663803
164.8137 3.726120
165.2958 3.692734
165.7780 3.563332
166.2601 3.243557
166.7422 2.338398
167.2243 1.297321
167.7064 0.7000430
168.1885 1.230019
168.6707 1.951630
169.1528 2.161434
169.6349 1.806477
170.1170 1.370644
170.5991 1.009171
171.0812 0.8029980
171.5634 0.8952980
172.0455 1.518135
172.5276 2.376579
173.0097 3.189644
173.4918 3.939240
173.9739 4.672199
174.4561 5.329113
174.9382 6.001793
175.4203 6.917824
175.9024 8.544651
176.3845 10.35856
176.8666 11.52524
177.3488 11.83413
177.8309 12.00216
178.3130 12.93378
178.7951 14.44188
179.2772 15.79478
179.7593 16.51055
180.2415 16.80048
180.7236 17.07640
181.2057 17.38743
181.6878 17.70187
182.1699 18.07343
182.6520 18.46230
183.1342 18.64482
183.6163 18.24522
184.0984 17.49636
184.5805 17.14285
185.0626 17.41537
185.5447 17.91751
186.0269 17.90760
186.5090 17.40676
186.9911 16.93955
187.4732 16.85994
187.9553 17.12827
188.4374 17.60574
188.9196 18.37254
189.4017 19.22749
189.8838 19.67440
190.3659 19.70082
190.8480 19.68198
191.3301 19.96759
191.8123 20.52078
192.2944 20.92139
192.7765 21.02745
193.2586 20.96807
193.7407 21.20532
194.2228 21.79416
194.7050 22.28696
195.1871 22.28155
195.6692 21.78262
196.1513 21.10406
196.6334 20.21654
197.1155 19.22507
197.5977 18.60687
198.0798 18.45695
198.5619 18.31039
199.0440 17.68890
199.5261 16.55962
200.0082 15.42421
200.4904 14.31620
200.9725 13.27898
201.4546 12.61255
201.9367 12.39138
202.4188 12.32591
202.9009 12.15194
203.3831 11.86305
203.8652 11.49858
204.3473 11.01021
204.8294 10.42572
205.3115 10.08844
205.7936 10.05572
206.2758 10.14412
206.7579 10.15264
207.2400 10.05380
207.7221 9.995136
208.2042 9.987549
208.6863 10.03378
209.1685 10.32953
209.6506 11.04133
210.1327 11.72514
210.6148 11.72475
211.0969 10.72603
211.5790 10.14000
212.0612 10.51339
212.5433 11.87394
213.0254 12.55315
213.5075 12.35947
213.9896 11.86474
214.4717 11.81922
214.9538 12.46005
215.4360 12.89694
215.9181 12.85989
216.4002 12.32542
216.8823 11.81808
217.3644 11.33649
217.8465 10.87303
218.3287 10.40329
218.8108 9.898117
219.2929 9.446880
219.7750 9.059944
220.2571 8.733440
220.7392 8.504490
221.2214 8.409420
221.7035 8.373119
222.1856 8.285809
222.6677 8.093483
223.1498 7.966972
223.6319 7.962154
224.1141 8.089893
224.5962 8.258602
225.0783 8.535007
225.5604 8.791630
226.0425 8.821491
226.5246 8.435741
227.0068 8.192631
227.4889 8.289543
227.9710 8.794762
228.4531 9.185963
228.9352 9.438148
229.4173 9.597649
229.8995 9.698044
230.3816 9.634331
230.8637 9.703918
231.3458 9.997921
231.8279 10.54617
232.3100 11.14562
232.7922 11.78968
233.2743 12.48727
233.7564 13.28507
234.2385 14.30978
234.7206 15.20506
235.2027 15.89156
235.6849 16.37115
236.1670 16.59181
236.6491 16.30326
237.1312 15.95786
237.6133 16.15493
238.0954 17.15293
238.5776 18.25110
239.0597 19.31950
239.5418 20.36663
240.0239 21.25703
240.5060 21.94454
240.9881 22.51391
241.4703 23.06282
241.9524 23.57307
242.4345 24.10288
242.9166 24.74319
243.3987 25.56777
243.8808 25.91663
244.3630 25.55434
244.8451 24.92587
245.3272 24.59437
245.8093 24.84174
246.2914 24.86607
246.7735 24.41907
247.2557 23.44633
247.7378 22.62392
248.2199 21.96766
248.7020 21.40496
249.1841 20.87639
249.6662 20.42253
250.1484 19.92360
250.6305 19.30456
251.1126 18.55915
251.5947 18.08376
252.0768 17.97106
252.5589 18.03927
253.0411 18.10481
253.5232 18.15234
254.0053 18.21212
254.4874 18.29213
254.9695 18.38111
255.4516 18.30537
255.9338 18.01106
256.4159 17.65452
256.8980 17.38349
257.3801 17.19686
257.8622 17.14754
258.3444 17.28783
258.8265 17.59950
259.3086 17.74971
259.7907 17.75824
260.2728 17.62490
260.7549 17.26234
261.2371 16.45647
261.7192 15.97611
262.2013 16.03620
262.6834 16.58202
263.1655 17.06309
263.6476 17.52930
264.1298 17.85872
264.6119 17.93710
265.0940 17.69054
265.5761 17.43069
266.0582 17.15080
266.5403 16.88274
267.0225 16.85687
267.5046 17.14321
267.9867 17.49136
268.4688 17.70552
268.9509 17.74027
269.4330 17.85554
269.9152 18.06201
270.3973 18.37222
270.8794 18.86152
271.3615 19.58196
271.8436 20.34114
272.3257 20.93089
272.8079 21.28008
273.2900 21.97382
273.7721 23.19685
274.2542 24.72231
274.7363 25.85600
275.2184 26.52380
275.7006 27.13512
276.1827 27.94370
276.6648 28.97208
277.1469 29.86491
277.6290 30.61971
278.1111 31.21041
278.5933 31.56858
279.0754 31.69538
279.5575 31.61686
280.0396 31.38518
280.5217 31.00272
281.0038 30.18888
281.4860 28.80457
281.9681 27.19208
282.4502 26.07368
282.9323 25.50006
283.4144 24.74967
283.8965 23.29447
284.3787 21.23077
284.8608 19.57444
285.3429 18.40454
285.8250 17.47332
286.3071 16.41135
286.7892 15.22351
287.2714 14.12723
287.7535 13.20500
288.2356 12.44589
288.7177 11.91589
289.1998 11.65864
289.6819 11.37051
290.1641 10.53920
290.6462 9.250916
291.1283 8.202263
291.6104 7.825188
292.0925 7.861382
292.5746 7.556114
293.0568 6.888451
293.5389 6.120018
294.0210 5.479149
294.5031 4.957077
294.9852 4.536247
295.4673 4.257404
295.9495 4.050850
296.4316 3.794365
296.9137 3.490234
297.3958 3.170456
297.8779 2.888195
298.3600 2.614231
298.8422 2.241768
299.3243 1.629417
299.8064 1.033756
300.2885 0.9057810
300.7706 1.184990
301.2527 1.451908
301.7349 1.392536
302.2170 1.120899
302.6991 0.8229260
303.1812 0.5181540
303.6633 0.2292330
304.1454 5.4572999E-02
304.6276 0.3124960
305.1097 0.4760970
305.5918 0.4350010
306.0739 0.3006550
306.5560 0.1875230
307.0381 9.4035998E-02
307.5203 8.2549997E-02
308.0024 0.2349430
308.4845 0.5113140
308.9666 0.8187830
309.4487 1.178905
309.9308 1.510544
310.4130 1.770630
310.8951 1.972115
311.3772 1.992184
311.8593 1.606834
312.3414 1.007278
312.8235 0.4953650
313.3057 0.1504670
313.7878 4.2881001E-02
314.2699 3.0136000E-02
314.7520 0.2026290
315.2341 0.3820800
315.7162 0.2972370
316.1984 0.1129800
316.6805 1.5633000E-02
317.1626 0.2465440
317.6447 0.4045450
318.1268 0.2792170
318.6089 0.1147880
319.0911 0.4742740
319.5732 0.7851450
320.0553 0.9807700
320.5374 1.001495
321.0195 0.6622620
321.5016 0.3214230
321.9838 4.4155002E-02
322.4659 0.1687890
322.9480 0.3247490
323.4301 0.4342500
323.9122 0.4709400
324.3943 0.4202310
324.8765 0.1783940
325.3586 1.0600000E-03
325.8407 6.0692001E-02
326.3228 4.3476000E-02
326.8049 5.6426998E-02
327.2870 0.1427040
327.7692 0.2281110
328.2513 0.2873310
328.7334 0.3122180
329.2155 0.3293340
329.6976 0.3035350
330.1797 0.2801170
330.6619 0.3464050
331.1440 0.6660230
331.6261 0.8581430
332.1082 0.7635380
332.5903 0.3155630
333.0724 6.7276001E-02
333.5546 6.6845000E-02
334.0367 0.2223050
334.5188 0.4711230
335.0009 0.9371870
335.4830 1.213608
335.9651 1.169922
336.4473 0.8349490
336.9294 0.5679820
337.4115 0.3570400
337.8936 0.2375760
338.3757 0.2246890
338.8578 0.3033750
339.3399 0.5983660
339.8221 1.233192
340.3042 2.039753
340.7863 2.437462
341.2684 2.387054
341.7505 2.160049
342.2326 1.802773
342.7148 1.321388
343.1969 1.192089
343.6790 1.519917
344.1611 2.071632
344.6432 2.479176
345.1253 2.742470
345.6075 2.895905
346.0896 2.933258
346.5717 2.868565
347.0538 2.753166
347.5359 2.580898
348.0180 2.385151
348.5002 2.140232
348.9823 1.884155
349.4644 1.784954
349.9465 2.034164
350.4286 2.408375
350.9107 2.475563
351.3929 2.245556
351.8750 2.013206
352.3571 1.991997
352.8392 2.141960
353.3213 2.423794
353.8034 2.968910
354.2856 3.438679
354.7677 3.387920
355.2498 2.928684
355.7319 2.517132
356.2140 2.479519
356.6961 2.601974
357.1783 2.653454
357.6604 2.554424
358.1425 2.498226
358.6246 2.686142
359.1067 2.998314
359.5888 3.204407
360.0710 3.047237
360.5531 2.873016
361.0352 2.940857
361.5173 3.312599
361.9994 3.552578
362.4815 3.405960
362.9637 3.065521
363.4458 2.750626
363.9279 2.459106
364.4100 2.264805
364.8921 2.198669
365.3742 2.252235
365.8564 2.371983
366.3385 2.691807
366.8206 2.967449
367.3027 3.049923
367.7848 2.859329
368.2669 2.563942
368.7491 2.085907
369.2312 1.518288
369.7133 1.133316
370.1954 1.074684
370.6775 1.065418
371.1596 0.9659120
371.6418 0.6415750
372.1239 0.5914990
372.6060 1.005615
373.0881 1.538528
373.5702 1.675362
374.0523 1.235832
374.5345 0.8288190
375.0166 0.6146700
375.4987 0.5932080
375.9808 0.4814760
376.4629 0.2526630
376.9450 2.1778001E-02
377.4272 0.1077420
377.9093 0.1350520
378.3914 6.8049997E-02
378.8735 0.1474270
379.3556 0.4082720
379.8377 0.3674200
380.3199 3.6960000E-03
380.8020 0.3519440
381.2841 0.4456830
381.7662 0.3095320
382.2483 4.4661999E-02
382.7304 0.4064220
383.2126 0.8264660
383.6947 0.8537480
384.1768 0.5521810
384.6589 0.2712330
385.1410 0.2168010
385.6231 0.2739490
386.1053 0.2169190
386.5874 3.7758000E-02
387.0695 9.2648000E-02
387.5516 4.9518999E-02
388.0337 0.1430090
388.5158 0.4552230
388.9980 1.007534
389.4801 1.539986
389.9622 1.849213
390.4443 1.941830
390.9264 1.886974
391.4085 1.534069
391.8907 1.184357
392.3728 1.113979
392.8549 1.489990
393.3370 1.827381
393.8191 1.741314
394.3012 1.499386
394.7834 1.556377
395.2655 2.450016
395.7476 3.306541
396.2297 3.754559
396.7118 3.723743
397.1939 3.720299
397.6761 3.940811
398.1582 4.152969
398.6403 4.163868
399.1224 3.563774
399.6045 3.222317
400.0866 3.263470
400.5688 3.645729
401.0509 4.136127
401.5330 4.898834
402.0151 5.584019
402.4972 6.005325
402.9793 6.040291
403.4615 6.131935
403.9436 6.317924
404.4257 6.527607
404.9078 6.609501
405.3899 6.514023
405.8720 6.476818
406.3542 6.547527
406.8363 6.732719
407.3184 7.171738
407.8005 7.931702
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409.2469 9.023743
409.7290 9.128426
410.2111 9.500301
410.6932 9.969231
411.1753 10.09027
411.6574 9.911926
412.1396 9.934139
412.6217 10.72665
413.1038 11.88541
413.5859 12.60159
414.0680 12.75211
414.5501 12.77891
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415.5144 13.72375
415.9965 14.13655
416.4786 14.02391
416.9607 13.87106
417.4428 13.99797
417.9250 14.40568
418.4071 15.08187
418.8892 16.33881
419.3713 17.68638
419.8534 18.67321
420.3355 18.97989
420.8177 19.29922
421.2998 19.82175
421.7819 20.52321
422.2640 21.36526
422.7461 22.34689
423.2282 23.45203
423.7104 24.71679
424.1925 26.18510
424.6746 27.61322
425.1567 28.87416
425.6388 30.15917
426.1209 31.67453
426.6031 33.60399
427.0852 35.42214
427.5673 36.95858
428.0494 38.32546
428.5315 40.06923
429.0136 42.26482
429.4958 44.65473
429.9779 47.03444
430.4600 49.38039
430.9421 51.88636
431.4242 54.49412
431.9063 57.37979
432.3885 60.87198
432.8706 64.93887
433.3527 69.07777
433.8348 73.09458
434.3169 77.05738
434.7990 81.09804
435.2812 85.19657
435.7633 89.46072
436.2454 94.12553
436.7275 98.96706
437.2096 103.6264
437.6917 108.1444
438.1739 112.2169
438.6560 115.3782
439.1381 117.8164
439.6202 119.9998
440.1023 122.3332
440.5844 124.3704
441.0666 125.5855
441.5487 125.9081
442.0308 126.3799
442.5129 127.3991
442.9950 128.8651
443.4771 130.6934
443.9593 133.2070
444.4414 135.7111
444.9235 137.6586
445.4056 139.3760
445.8877 142.0720
446.3698 147.0150
446.8520 152.0198
447.3341 156.2826
447.8162 159.6660
448.2983 162.6079
448.7804 165.2613
449.2625 167.3401
449.7447 168.5978
450.2268 169.4351
450.7089 168.5849
451.1910 165.9506
451.6731 161.4614
452.1552 154.2894
452.6374 144.0672
453.1195 133.0515
453.6016 122.3570
454.0837 112.0851
454.5658 102.5122
455.0479 93.68671
455.5301 85.72784
456.0122 79.05707
456.4943 73.52556
456.9764 68.81410
457.4585 64.81885
457.9406 61.44657
458.4228 58.50519
458.9049 56.01132
459.3870 53.87624
459.8691 52.05122
460.3512 50.57047
460.8333 49.53341
461.3155 49.05756
461.7976 48.71449
462.2797 48.20185
462.7618 47.63186
463.2439 47.21007
463.7260 47.25056
464.2082 47.24088
464.6903 46.95358
465.1724 46.38162
465.6545 45.70190
466.1366 44.78203
466.6187 43.87989
467.1009 43.16901
467.5830 42.99905
468.0651 42.55211
468.5472 41.82857
469.0293 40.83463
469.5114 39.56029
469.9936 37.98038
470.4757 36.17476
470.9578 34.12036
471.4399 31.81951
471.9220 29.55511
472.4041 27.37856
472.8863 25.16698
473.3684 22.76917
473.8505 20.19467
474.3326 17.83057
474.8147 15.72579
475.2968 13.87147
475.7790 12.32023
476.2611 11.03584
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