#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:36:41 +0300 (Thu, 26 Apr 2018) $
#$Revision: 503 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000057.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_1000057
loop_
_publ_author_name
'Okada, K.'
'Hirabayashi, J.'
'Ossaka, J.'
_publ_section_title
;
 Crystal structure of natroalunite and crystal chemistry of the alunite
 group Locality: Sonomi-dake, Makurazaki-city, Kagoshima Prefecture, Japan
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              534
_journal_page_last               540
_journal_volume                  1982
_journal_year                    1982
_chemical_compound_source        R060406
_chemical_formula_sum            'Al3 H6 K0.42 Na0.58 O14 S2'
_chemical_name_mineral           Natroalunite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.990
_cell_length_b                   6.990
_cell_length_c                   16.905
_cell_volume                     715.320
_exptl_crystal_density_diffrn    2.820
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        '(Na.58 K.42) Al3 S2 O14 H6'
_cod_database_code               9009297
_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            R060406.rod
_rod_data_source.block           3500000
_rod_database.code               1000057
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 9009297 COD http://www.crystallography.net/cod/9009297.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
165.3335 0.0000000E+00
165.8156 1.452515
166.2977 3.575439
166.7798 4.382324
167.2620 2.765381
167.7441 0.7503660
168.2262 9.6923999E-02
168.7083 0.4437260
169.1904 0.9182130
169.6725 1.941895
170.1547 4.090698
170.6368 5.791504
171.1189 5.795166
171.6010 5.768188
172.0831 5.496948
172.5652 4.683716
173.0474 3.798218
173.5295 2.369263
174.0116 1.090210
174.4937 0.3712160
174.9758 0.8818360
175.4579 1.148804
175.9401 1.330322
176.4222 4.415161
176.9043 5.645020
177.3864 3.973389
177.8685 1.290405
178.3506 0.2702640
178.8328 1.603760
179.3149 2.683838
179.7970 1.992432
180.2791 1.106201
180.7612 1.725098
181.2433 4.786377
181.7255 8.586792
182.2076 8.986572
182.6897 2.742920
183.1718 0.8970950
183.6539 1.481445
184.1360 6.325439
184.6181 10.12769
185.1003 11.19165
185.5824 10.11682
186.0645 9.033813
186.5466 8.068970
187.0287 6.905029
187.5108 5.114868
187.9930 3.225464
188.4751 1.889526
188.9572 1.490845
189.4393 1.927856
189.9214 2.666382
190.4035 4.670898
190.8857 5.929810
191.3678 5.203979
191.8499 3.544189
192.3320 2.980713
192.8141 4.942139
193.2962 8.876709
193.7784 10.36719
194.2605 7.417358
194.7426 4.782959
195.2247 4.204590
195.7068 5.262695
196.1889 6.708130
196.6711 7.947021
197.1532 8.871948
197.6353 9.191284
198.1174 8.378662
198.5995 7.479370
199.0816 6.656738
199.5638 6.027832
200.0459 6.544312
200.5280 9.519165
201.0101 13.83923
201.4922 16.25623
201.9743 15.92200
202.4565 14.42224
202.9386 12.51013
203.4207 10.14148
203.9028 8.827026
204.3849 9.924194
204.8670 12.50171
205.3492 15.40320
205.8313 18.91150
206.3134 22.05322
206.7955 23.54968
207.2776 23.22241
207.7597 22.06689
208.2419 18.70435
208.7240 15.41504
209.2061 15.03564
209.6882 19.25745
210.1703 25.13635
210.6524 26.98669
211.1346 22.54175
211.6167 19.92639
212.0988 22.70483
212.5809 27.89087
213.0630 32.95691
213.5451 36.96008
214.0273 40.01343
214.5094 42.16577
214.9915 42.53625
215.4736 43.62817
215.9557 45.93701
216.4378 49.06213
216.9200 52.96252
217.4021 57.66492
217.8842 62.47546
218.3663 65.33118
218.8484 64.70825
219.3305 64.17749
219.8127 63.50891
220.2948 63.39331
220.7769 64.68481
221.2590 67.77454
221.7411 72.12061
222.2232 76.12769
222.7054 79.50916
223.1875 83.06641
223.6696 86.71960
224.1517 90.27625
224.6338 93.16211
225.1159 95.11572
225.5980 96.90137
226.0802 100.7932
226.5623 109.0471
227.0444 116.8356
227.5265 123.1729
228.0086 129.0389
228.4907 135.7202
228.9729 143.8197
229.4550 152.9343
229.9371 161.4294
230.4192 168.0160
230.9013 175.4910
231.3834 185.3772
231.8656 196.2787
232.3477 206.5481
232.8298 215.7280
233.3119 223.1421
233.7940 227.0674
234.2761 228.0146
234.7583 225.3425
235.2404 217.7260
235.7225 206.5179
236.2046 193.7100
236.6867 179.5664
237.1688 164.9468
237.6510 151.0021
238.1331 137.5712
238.6152 124.4192
239.0973 110.5923
239.5794 96.96387
240.0615 85.67078
240.5437 77.48755
241.0258 71.15894
241.5079 65.49915
241.9900 60.47473
242.4721 55.21790
242.9542 48.21545
243.4364 40.68359
243.9185 36.22729
244.4006 36.58276
244.8827 38.35352
245.3648 38.29504
245.8469 36.60962
246.3290 34.29407
246.8112 31.17749
247.2933 27.86780
247.7754 25.80676
248.2575 25.48022
248.7396 25.81677
249.2217 25.95496
249.7039 25.93677
250.1860 25.93176
250.6681 26.18152
251.1502 26.54248
251.6323 26.53943
252.1144 26.28577
252.5966 25.37793
253.0787 23.00244
253.5608 19.87048
254.0429 17.55383
254.5250 17.32385
255.0071 18.63550
255.4893 19.24634
255.9714 18.51440
256.4535 18.14832
256.9356 19.02246
257.4177 20.69177
257.8998 22.51538
258.3820 24.40186
258.8641 26.07275
259.3462 26.40784
259.8283 24.53418
260.3104 22.70251
260.7925 21.85107
261.2747 21.40686
261.7568 20.58167
262.2389 18.90454
262.7210 16.72253
263.2031 15.08167
263.6852 14.52808
264.1674 13.55945
264.6495 10.58789
265.1316 7.575439
265.6137 6.902222
266.0958 9.678345
266.5779 14.50415
267.0601 18.25146
267.5422 21.22961
268.0243 22.30798
268.5064 20.52368
268.9885 17.56812
269.4706 14.74890
269.9528 12.55164
270.4349 10.92542
270.9170 9.885376
271.3991 10.02258
271.8812 9.583984
272.3633 7.819458
272.8455 5.934692
273.3276 4.641357
273.8097 4.187988
274.2918 4.672852
274.7739 6.660522
275.2560 12.32263
275.7382 14.64355
276.2202 10.93860
276.7024 6.620850
277.1845 5.351196
277.6666 7.446533
278.1487 10.53308
278.6308 11.61462
279.1129 9.697266
279.5951 9.226196
280.0772 11.36707
280.5593 13.66394
281.0414 15.39417
281.5235 16.18774
282.0056 15.41064
282.4878 12.11841
282.9699 5.588989
283.4520 1.719604
283.9341 2.353394
284.4162 3.425049
284.8983 3.674072
285.3805 3.015015
285.8626 1.595093
286.3447 0.6566160
286.8268 3.683472
287.3089 4.882324
287.7910 2.577759
288.2732 0.3900150
288.7553 0.3868410
289.2374 0.3148190
289.7195 0.7060550
290.2016 2.431763
290.6837 5.080078
291.1659 6.314941
291.6480 4.249390
292.1301 2.963135
292.6122 4.369995
293.0943 6.630127
293.5764 6.833618
294.0586 3.571533
294.5407 1.675415
295.0228 4.916748
295.5049 5.144287
295.9870 4.425171
296.4691 2.089111
296.9513 0.8530270
297.4334 3.658691
297.9155 6.034790
298.3976 7.480103
298.8797 7.027710
299.3618 2.891602
299.8440 0.1767580
300.3261 0.5533450
300.8082 0.2336430
301.2903 0.5939940
301.7724 1.746582
302.2545 3.041138
302.7367 4.416992
303.2188 6.245850
303.7009 6.261841
304.1830 2.007080
304.6651 1.922607
305.1472 2.024170
305.6294 1.345215
306.1115 4.983887
306.5936 6.059326
307.0757 4.371826
307.5578 3.905518
308.0399 5.918213
308.5221 7.679810
309.0042 7.993530
309.4863 7.075195
309.9684 5.536743
310.4505 3.637451
310.9326 1.557373
311.4148 0.6770020
311.8969 2.172974
312.3790 3.317871
312.8611 2.772705
313.3432 1.584595
313.8253 1.732422
314.3075 4.228271
314.7896 7.873047
315.2717 9.556763
315.7538 7.775513
316.2359 6.202271
316.7180 4.878662
317.2001 4.011475
317.6823 3.947998
318.1644 4.764526
318.6465 6.062988
319.1286 7.302490
319.6107 8.635010
320.0928 9.404419
320.5750 9.591797
321.0571 9.231812
321.5392 7.908081
322.0213 5.789185
322.5034 3.908325
322.9855 3.257446
323.4677 3.898682
323.9498 5.651978
324.4319 9.614990
324.9140 13.48413
325.3961 16.53223
325.8782 18.55615
326.3604 19.17297
326.8425 17.88879
327.3246 14.98059
327.8067 13.54419
328.2888 14.13184
328.7709 15.35327
329.2531 17.64062
329.7352 20.21899
330.2173 21.87927
330.6994 22.04639
331.1815 21.06543
331.6636 19.83240
332.1458 17.61511
332.6279 16.09290
333.1100 14.97961
333.5921 14.76013
334.0742 16.11450
334.5563 19.17480
335.0385 23.29602
335.5206 27.75012
336.0027 33.63513
336.4848 36.69507
336.9669 34.61157
337.4490 31.83142
337.9312 31.07581
338.4133 32.52808
338.8954 35.07129
339.3775 37.83740
339.8596 40.94165
340.3417 42.80896
340.8239 42.34521
341.3060 41.92078
341.7881 42.77637
342.2702 44.29578
342.7523 45.07300
343.2344 44.18994
343.7166 42.02905
344.1987 40.39209
344.6808 40.33228
345.1629 39.53296
345.6450 37.22900
346.1271 34.53406
346.6093 32.56018
347.0914 31.69421
347.5735 31.62634
348.0556 31.64270
348.5377 32.48376
349.0198 31.99072
349.5020 29.60364
349.9841 26.49817
350.4662 23.09790
350.9483 19.72327
351.4304 17.19824
351.9125 16.23218
352.3947 16.97864
352.8768 15.98889
353.3589 10.86096
353.8410 6.977417
354.3231 6.554688
354.8052 8.844482
355.2874 12.28528
355.7695 16.30371
356.2516 20.44250
356.7337 21.96912
357.2158 18.56299
357.6979 15.55652
358.1800 13.49646
358.6621 12.48120
359.1443 12.83118
359.6264 14.64795
360.1085 17.07568
360.5906 18.44287
361.0727 18.05469
361.5548 18.44519
362.0370 21.00610
362.5191 23.40491
363.0012 24.09619
363.4833 23.21069
363.9654 22.09998
364.4475 22.32861
364.9297 23.99927
365.4118 25.21460
365.8939 25.33130
366.3760 25.67993
366.8581 26.66443
367.3402 28.26440
367.8224 30.47327
368.3045 33.52539
368.7866 36.97900
369.2687 39.54553
369.7508 41.12390
370.2329 41.99414
370.7151 41.62402
371.1972 40.97021
371.6793 41.01245
372.1614 42.08838
372.6435 43.59082
373.1256 45.12085
373.6078 46.76392
374.0899 47.09033
374.5720 43.18250
375.0541 40.32324
375.5362 43.33179
376.0183 51.72290
376.5005 59.96277
376.9826 64.18811
377.4647 65.31616
377.9468 66.72583
378.4289 68.68933
378.9110 70.73633
379.3932 73.05005
379.8753 75.19409
380.3574 76.17029
380.8395 75.23120
381.3216 73.37732
381.8037 71.81531
382.2859 70.55884
382.7680 69.13684
383.2501 67.80835
383.7322 65.80615
384.2143 61.85107
384.6964 55.37964
385.1786 49.01392
385.6607 44.49353
386.1428 41.29407
386.6249 37.96997
387.1070 34.17749
387.5891 30.30176
388.0713 26.45239
388.5534 22.65381
389.0355 20.07678
389.5176 20.10938
389.9997 20.75757
390.4818 19.78320
390.9640 17.15784
391.4461 14.76562
391.9282 14.17200
392.4103 14.82825
392.8924 13.80713
393.3745 8.260254
393.8567 4.267212
394.3388 5.578613
394.8209 9.965332
395.3030 13.27686
395.7851 14.01379
396.2672 12.79663
396.7494 10.44788
397.2315 5.815674
397.7136 2.898926
398.1957 2.671753
398.6778 3.640869
399.1599 5.170532
399.6420 6.876587
400.1241 7.719482
400.6063 6.643799
401.0884 3.570557
401.5705 1.115967
402.0526 0.7452390
402.5347 2.047729
403.0168 3.124146
403.4990 3.567993
403.9811 2.239258
404.4632 1.456177
404.9453 6.050415
405.4274 7.771729
405.9095 3.834595
406.3917 1.719116
406.8738 3.788086
407.3559 6.039429
407.8380 4.994263
408.3201 0.6748050
408.8022 3.843384
409.2844 5.387085
409.7665 3.728027
410.2486 2.651367
410.7307 2.945679
411.2128 3.000977
411.6949 2.433228
412.1771 1.310303
412.6592 0.4018550
413.1413 2.872192
413.6234 5.411011
414.1055 6.331299
414.5876 4.991211
415.0698 3.988892
415.5519 4.333130
416.0340 4.978271
416.5161 5.299805
416.9982 5.203979
417.4803 4.867554
417.9625 4.005127
418.4446 2.846191
418.9267 3.090088
419.4088 5.566162
419.8909 8.180908
420.3730 9.785645
420.8552 10.53845
421.3373 10.61694
421.8194 9.742920
422.3015 8.570435
422.7836 7.913452
423.2657 7.767090
423.7479 7.641113
424.2300 7.539673
424.7121 7.159790
425.1942 5.765503
425.6763 2.964844
426.1584 1.186523
426.6406 2.210327
427.1227 4.728760
427.6048 6.461548
428.0869 6.993652
428.5690 7.397339
429.0511 8.845703
429.5333 11.29834
430.0154 12.61670
430.4975 11.63745
430.9796 10.60779
431.4617 11.07654
431.9438 12.51965
432.4260 13.51440
432.9081 13.37952
433.3902 12.43921
433.8723 11.42249
434.3544 9.957153
434.8365 9.050415
435.3187 9.416992
435.8008 9.889160
436.2829 9.454834
436.7650 8.046021
437.2471 6.179321
437.7292 4.164551
438.2114 1.946045
438.6935 1.414795
439.1756 4.849854
439.6577 7.465332
440.1398 7.415161
440.6219 6.158691
441.1040 5.802490
441.5862 7.239868
442.0683 9.510620
442.5504 10.95996
443.0325 11.55945
443.5146 11.43481
443.9967 9.435547
444.4789 7.700562
444.9610 7.452393
445.4431 8.549438
445.9252 10.12512
446.4073 11.97327
446.8894 13.75183
447.3716 13.92786
447.8537 11.83337
448.3358 9.783447
448.8179 8.507935
449.3000 7.912842
449.7821 8.130371
450.2643 9.339355
450.7464 10.61072
451.2285 10.91968
451.7106 10.50488
452.1927 10.72595
452.6748 12.06433
453.1570 13.63513
453.6391 14.66333
454.1212 15.20813
454.6033 15.31445
455.0854 14.34180
455.5675 13.40564
456.0497 13.71375
456.5318 15.11145
457.0139 16.56873
457.4960 17.68396
457.9781 18.37463
458.4602 18.32556
458.9424 17.21838
459.4245 16.17517
459.9066 14.16492
460.3887 12.89319
460.8708 15.18115
461.3529 21.08923
461.8351 27.09119
462.3172 29.68030
462.7993 28.41504
463.2814 27.10596
463.7635 25.10168
464.2456 23.96033
464.7278 24.58423
465.2099 26.14075
465.6920 27.15540
466.1741 27.09167
466.6562 27.15808
467.1383 30.32703
467.6205 38.88745
468.1026 43.82410
468.5847 41.24304
469.0668 38.20984
469.5489 37.84607
470.0310 39.75525
470.5132 41.82642
470.9953 42.52393
471.4774 42.57202
471.9595 44.13013
472.4416 47.80334
472.9237 50.80164
473.4059 51.34070
473.8880 51.22961
474.3701 52.01416
474.8522 53.87292
475.3343 56.28918
475.8164 59.11389
476.2986 62.14758
476.7807 65.00562
477.2628 67.65344
477.7449 70.22205
478.2270 72.76917
478.7091 75.30701
479.1913 77.86011
479.6734 80.00391
480.1555 82.62537
480.6376 86.30432
481.1197 90.76892
481.6018 95.76709
482.0839 101.2869
482.5660 106.4243
483.0482 110.0654
483.5303 112.2388
484.0124 112.1157
484.4945 109.0857
484.9766 104.5457
485.4587 98.68140
485.9409 91.88782
486.4230 84.77490
486.9051 77.62329
487.3872 70.56323
487.8693 64.11877
488.3514 58.76587
488.8336 53.02319
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