#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:32 +0300 (Thu, 24 May 2018) $
#$Revision: 905 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100034.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100034
loop_
_publ_author_name
'Alberti, A.'
'Vezzalini, G.'
_publ_section_title
;
 The crystal structure of amicite, a zeolite Locality: basaltic rock at
 Howenegg in Hegau, southern West Germany
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2866
_journal_page_last               2869
_journal_paper_doi               10.1107/S0567740879010852
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        R080066
_chemical_formula_sum            'Al2 H6 K Na O10.765 Si2'
_chemical_name_mineral           Amicite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 88.19
_cell_angle_gamma                90
_cell_length_a                   10.226
_cell_length_b                   10.422
_cell_length_c                   9.884
_cell_volume                     1052.865
_exptl_crystal_density_diffrn    2.211
_cod_original_formula_sum        'K Na Al2 Si2 O10.765 H6'
_cod_database_code               9007633
_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            R080066.rod
_rod_data_source.block           3500000
_rod_database.code               2100034
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 9007633 COD http://www.crystallography.net/cod/9007633.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
124.8252 0.0000000E+00
125.3074 6.645508
125.7895 12.38846
126.2716 17.07315
126.7537 19.84332
127.2358 22.89258
127.7179 24.65933
128.2001 26.27942
128.6822 31.55829
129.1643 31.06796
129.6464 23.94586
130.1285 16.81754
130.6107 11.21555
131.0928 6.266602
131.5749 1.925568
132.0570 1.564850
132.5391 3.544952
133.0212 3.310181
133.5034 0.5150450
133.9855 2.430023
134.4676 4.890503
134.9497 7.949585
135.4318 12.41199
135.9139 18.25897
136.3960 24.73337
136.8782 31.06958
137.3603 37.28641
137.8424 43.08441
138.3245 48.40393
138.8066 53.29544
139.2887 57.80484
139.7709 61.94888
140.2530 65.60565
140.7351 68.29465
141.2172 70.10123
141.6993 72.18289
142.1814 75.33801
142.6636 79.22665
143.1457 82.60159
143.6278 85.00107
144.1099 86.95633
144.5920 88.75885
145.0741 90.43765
145.5563 92.51736
146.0384 95.45416
146.5205 99.27789
147.0026 103.6526
147.4847 108.8361
147.9668 114.3907
148.4490 120.1805
148.9311 126.1400
149.4132 132.2370
149.8953 138.3986
150.3774 144.6323
150.8595 150.9934
151.3417 157.2354
151.8238 163.6791
152.3059 170.6060
152.7880 178.0754
153.2701 186.0044
153.7522 194.0905
154.2344 202.1493
154.7165 210.5921
155.1986 220.2982
155.6807 230.1815
156.1628 238.8774
156.6449 245.6513
157.1271 250.8280
157.6092 255.6106
158.0913 260.4301
158.5734 264.5414
159.0555 268.0248
159.5376 270.6744
160.0198 271.9918
160.5019 271.7729
160.9840 269.7722
161.4661 266.0251
161.9482 260.1194
162.4303 253.0397
162.9125 245.1717
163.3946 236.5427
163.8767 227.7223
164.3588 218.9531
164.8409 210.2853
165.3230 201.6872
165.8052 193.0665
166.2873 184.6363
166.7694 176.5888
167.2515 168.6105
167.7336 162.0508
168.2157 158.3114
168.6979 156.0478
169.1800 153.6986
169.6621 150.3772
170.1442 146.7155
170.6263 144.5606
171.1084 144.7625
171.5906 145.2484
172.0727 145.2780
172.5548 145.1246
173.0369 145.1650
173.5190 145.6165
174.0011 146.4619
174.4833 147.5684
174.9654 149.3877
175.4475 151.0280
175.9296 152.0924
176.4117 152.8398
176.8938 153.8105
177.3760 155.4761
177.8581 157.8739
178.3402 159.4675
178.8223 159.1776
179.3044 159.2662
179.7865 160.6599
180.2687 163.1661
180.7508 166.0444
181.2329 168.6840
181.7150 171.0560
182.1971 173.4834
182.6792 175.8215
183.1614 178.5096
183.6435 182.1564
184.1256 186.7076
184.6077 191.4370
185.0898 195.5792
185.5719 199.1250
186.0541 203.5661
186.5362 209.8932
187.0183 216.4548
187.5004 221.4730
187.9825 224.6998
188.4646 227.7769
188.9468 232.7155
189.4289 238.9391
189.9110 244.0538
190.3931 247.5934
190.8752 249.9167
191.3573 251.3563
191.8395 251.5683
192.3216 251.1573
192.8037 250.9510
193.2858 250.6691
193.7679 249.3462
194.2500 246.2119
194.7322 241.6733
195.2143 237.0545
195.6964 232.7816
196.1785 227.7118
196.6606 221.1064
197.1427 213.3602
197.6249 205.3858
198.1070 197.6088
198.5891 190.0455
199.0712 182.9016
199.5533 176.5529
200.0354 170.2286
200.5176 163.4977
200.9997 156.5810
201.4818 150.0090
201.9639 144.2972
202.4460 139.4638
202.9281 134.5799
203.4103 129.4353
203.8924 124.4744
204.3745 119.9591
204.8566 115.7621
205.3387 111.6329
205.8208 107.2746
206.3030 102.5612
206.7851 98.67444
207.2672 96.53036
207.7493 94.25975
208.2314 91.12463
208.7135 87.19568
209.1957 82.90146
209.6778 78.52399
210.1599 73.94577
210.6420 70.48532
211.1241 68.94136
211.6062 67.59404
212.0884 65.55127
212.5705 62.83168
213.0526 59.92943
213.5347 57.20221
214.0168 54.66428
214.4989 52.62268
214.9811 51.35109
215.4632 50.30525
215.9453 49.06204
216.4274 47.62093
216.9095 46.38603
217.3916 45.77324
217.8737 45.80228
218.3559 45.66045
218.8380 45.05693
219.3201 44.45023
219.8022 44.28232
220.2843 44.58647
220.7664 44.98981
221.2486 45.21730
221.7307 45.29474
222.2128 45.36296
222.6949 45.63257
223.1770 45.80006
223.6591 45.29027
224.1413 43.94418
224.6234 42.93195
225.1055 43.77769
225.5876 45.52660
226.0697 46.38951
226.5518 45.35426
227.0340 43.47481
227.5161 42.42043
227.9982 42.48642
228.4803 42.32533
228.9624 41.09198
229.4445 39.18684
229.9267 36.99098
230.4088 34.55925
230.8909 32.00238
231.3730 29.57484
231.8551 27.33304
232.3372 25.10878
232.8194 22.70036
233.3015 20.27995
233.7836 18.06839
234.2657 16.21011
234.7478 14.52544
235.2299 12.56689
235.7121 10.07495
236.1942 7.825958
236.6763 5.964279
237.1584 4.438858
237.6405 3.270599
238.1227 2.507034
238.6048 1.931030
239.0869 0.9398350
239.5690 0.9045720
240.0511 2.391388
240.5332 3.178360
241.0154 3.610779
241.4975 3.980286
241.9796 4.408585
242.4617 4.871689
242.9438 5.332550
243.4259 6.050705
243.9081 6.323570
244.3902 5.914993
244.8723 5.179893
245.3544 4.358353
245.8365 3.551407
246.3186 2.845787
246.8008 2.458809
247.2829 2.633430
247.7650 2.805267
248.2471 3.268982
248.7292 3.545448
249.2113 3.130783
249.6935 1.873947
250.1756 9.9930003E-02
250.6577 1.595856
251.1398 3.583008
251.6219 4.856049
252.1040 4.814774
252.5862 4.386169
253.0683 4.370621
253.5504 5.010353
254.0325 6.052582
254.5146 7.086365
254.9967 8.107697
255.4789 9.127800
255.9610 10.21564
256.4431 11.26211
256.9252 12.13342
257.4073 12.80924
257.8894 13.43497
258.3716 14.19315
258.8537 15.10003
259.3358 16.16457
259.8179 17.45853
260.3000 18.87228
260.7821 20.45223
261.2643 22.17557
261.7464 23.65960
262.2285 24.37550
262.7106 24.05482
263.1927 24.35398
263.6748 25.83017
264.1570 27.59307
264.6391 28.86818
265.1212 29.58315
265.6033 30.19167
266.0854 31.15429
266.5675 32.48322
267.0497 33.48940
267.5318 33.73520
268.0139 33.94294
268.4960 34.79176
268.9781 36.28797
269.4602 37.81588
269.9424 38.98409
270.4245 39.75833
270.9066 40.24749
271.3887 40.37583
271.8708 40.27765
272.3529 39.99132
272.8351 39.53310
273.3172 39.07181
273.7993 38.78451
274.2814 38.53831
274.7635 37.95354
275.2456 36.78326
275.7278 35.54695
276.2099 34.68342
276.6920 34.13714
277.1741 33.41431
277.6562 32.12225
278.1383 30.63907
278.6205 29.78123
279.1026 29.86978
279.5847 29.84719
280.0668 28.76541
280.5489 26.83080
281.0310 25.33961
281.5132 24.96879
281.9953 25.03193
282.4774 24.57780
282.9595 23.57598
283.4416 22.28436
283.9237 20.60778
284.4059 18.70268
284.8880 17.22574
285.3701 16.41208
285.8522 15.98061
286.3343 15.61155
286.8164 15.31577
287.2986 15.17532
287.7807 15.46060
288.2628 15.95731
288.7449 15.92850
289.2270 15.03525
289.7091 13.97250
290.1913 13.25005
290.6734 12.83107
291.1555 12.58983
291.6376 12.64172
292.1197 12.81220
292.6018 12.59451
293.0840 11.72823
293.5661 10.97955
294.0482 11.03075
294.5303 11.57203
295.0124 12.05716
295.4945 12.33850
295.9767 12.39519
296.4588 12.13258
296.9409 11.44908
297.4230 10.66618
297.9051 9.929825
298.3872 9.201279
298.8694 8.399605
299.3515 7.468208
299.8336 6.532944
300.3157 5.712242
300.7978 4.986679
301.2799 4.466644
301.7621 4.472778
302.2442 4.660889
302.7263 4.709190
303.2084 4.545921
303.6905 4.345886
304.1726 4.335007
304.6548 4.507393
305.1369 4.453148
305.6190 3.913597
306.1011 3.223640
306.5832 2.655060
307.0653 2.268471
307.5475 2.018784
308.0296 1.808380
308.5117 1.595650
308.9938 1.632263
309.4759 2.059814
309.9580 2.604591
310.4402 3.146378
310.9223 3.660767
311.4044 4.062935
311.8865 4.240265
312.3686 4.243240
312.8507 4.314072
313.3329 4.513748
313.8150 4.678490
314.2971 4.672600
314.7792 4.577660
315.2613 4.558167
315.7434 4.769424
316.2256 5.049370
316.7077 4.991341
317.1898 4.441025
317.6719 3.983574
318.1540 3.991714
318.6361 4.183884
319.1183 4.239006
319.6004 4.016960
320.0825 3.747711
320.5646 3.724174
321.0467 3.960449
321.5288 4.371696
322.0110 5.183243
322.4931 6.008583
322.9752 6.510445
323.4573 6.629990
323.9394 6.637024
324.4215 6.776543
324.9037 7.044617
325.3858 7.280380
325.8679 7.432854
326.3500 7.567749
326.8321 7.762032
327.3142 7.998749
327.7964 8.168724
328.2785 8.156891
328.7606 8.004372
329.2427 7.953201
329.7248 8.185371
330.2069 8.213226
330.6891 7.636208
331.1712 6.666374
331.6533 5.739082
332.1354 5.059517
332.6175 4.540230
333.0996 4.017738
333.5818 3.494110
334.0639 2.952301
334.5460 2.263680
335.0281 1.594353
335.5102 1.165298
335.9923 1.074165
336.4745 1.137169
336.9566 1.194153
337.4387 1.252014
337.9208 1.170540
338.4029 0.7593080
338.8850 0.2898480
339.3671 5.9578001E-02
339.8492 0.1070020
340.3314 0.1579900
340.8135 1.9362999E-02
341.2956 0.3877560
341.7777 0.7275770
342.2598 1.043854
342.7419 1.249344
343.2241 1.155830
343.7062 0.8422700
344.1883 0.7384030
344.6704 1.216469
345.1525 2.018768
345.6346 2.608627
346.1168 2.956802
346.5989 3.099075
347.0810 2.855522
347.5631 2.439484
348.0452 2.236496
348.5273 2.484009
349.0095 2.857094
349.4916 3.037956
349.9737 3.026390
350.4558 2.783127
350.9379 2.063568
351.4200 1.238434
351.9022 0.9181980
352.3843 1.268677
352.8664 1.735481
353.3485 2.045189
353.8306 2.191406
354.3127 2.125175
354.7949 1.781792
355.2770 1.302071
355.7591 0.8196260
356.2412 0.3333360
356.7233 6.2996000E-02
357.2054 0.2789230
357.6876 0.3963550
358.1697 0.5197980
358.6518 0.6517560
359.1339 0.8808590
359.6160 1.363686
360.0981 2.050171
360.5803 2.614380
361.0624 2.902206
361.5445 3.127975
362.0266 3.446373
362.5087 3.861389
362.9908 4.358032
363.4730 4.979424
363.9551 5.627106
364.4372 6.031586
364.9193 6.054626
365.4014 6.093597
365.8835 6.148285
366.3657 6.341446
366.8478 7.021713
367.3299 8.373642
367.8120 10.01247
368.2941 11.30532
368.7762 12.12708
369.2584 13.12508
369.7405 14.67209
370.2226 16.26248
370.7047 17.25946
371.1868 17.63676
371.6689 18.06114
372.1511 19.18108
372.6332 21.04022
373.1153 22.60260
373.5974 24.02041
374.0795 25.05074
374.5616 25.45460
375.0438 25.37053
375.5259 25.11773
376.0080 24.84556
376.4901 24.59097
376.9722 24.48929
377.4543 25.17367
377.9365 25.19543
378.4186 23.90292
378.9007 22.10257
379.3828 20.67961
379.8649 19.87836
380.3470 19.34560
380.8292 18.54470
381.3113 17.15640
381.7934 16.50874
382.2755 17.06222
382.7576 17.85198
383.2397 18.30673
383.7219 18.48142
384.2040 18.74846
384.6861 19.40234
385.1682 20.42432
385.6503 21.49353
386.1324 22.77683
386.6146 23.91347
387.0967 24.71778
387.5788 25.37215
388.0609 26.10875
388.5430 27.02376
389.0251 28.04659
389.5073 29.10294
389.9894 30.45137
390.4715 31.25882
390.9536 31.22203
391.4357 30.91687
391.9178 30.66086
392.4000 30.50402
392.8821 30.34816
393.3642 30.07989
393.8463 29.70234
394.3284 29.43768
394.8105 29.37991
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395.7748 29.25183
396.2569 29.11298
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397.2211 28.29612
397.7032 27.78239
398.1854 27.92609
398.6675 28.93435
399.1496 29.91899
399.6317 30.41846
400.1138 30.94399
400.5959 31.98917
401.0781 33.64000
401.5602 35.38049
402.0423 36.59663
402.5244 37.32341
403.0065 38.33244
403.4886 39.75026
403.9708 41.47533
404.4529 43.48007
404.9350 45.72490
405.4171 48.07864
405.8992 50.44125
406.3813 52.83917
406.8635 55.46336
407.3456 58.37884
407.8277 61.06831
408.3098 63.11209
408.7919 64.91966
409.2740 67.22437
409.7562 70.33436
410.2383 73.11939
410.7204 75.11997
411.2025 76.30256
411.6846 76.55888
412.1667 75.83160
412.6489 74.31392
413.1310 72.13894
413.6131 69.34271
414.0952 65.94572
414.5773 61.55165
415.0594 56.80265
415.5416 52.30019
416.0237 48.05696
416.5058 43.80119
416.9879 39.36447
417.4700 34.76640
417.9521 30.10624
418.4343 24.43602
418.9164 19.82458
419.3985 17.45260
419.8806 16.29292
420.3627 14.89391
420.8448 12.78294
421.3270 10.34671
421.8091 8.111534
422.2912 6.014282
422.7733 4.415947
423.2554 3.703407
423.7375 3.115005
424.2197 2.072510
424.7018 0.7271730
425.1839 0.3182300
425.6660 0.6054990
426.1481 0.2433400
426.6302 2.5490001E-02
427.1124 2.5581000E-02
427.5945 0.1141280
428.0766 0.4909820
428.5587 1.089439
429.0408 1.919136
429.5229 2.973465
430.0051 4.189590
430.4872 5.470970
430.9693 6.782295
431.4514 8.281883
431.9335 10.14339
432.4156 12.06468
432.8978 13.87032
433.3799 15.63882
433.8620 17.58263
434.3441 19.77067
434.8262 22.25733
435.3083 25.35708
435.7905 29.44191
436.2726 33.07411
436.7547 34.79677
437.2368 36.35416
437.7189 39.46211
438.2010 44.50882
438.6832 50.04958
439.1653 54.80550
439.6474 58.95309
440.1295 63.54557
440.6116 68.83963
441.0938 74.39491
441.5759 79.63414
442.0580 84.75197
442.5401 90.48507
443.0222 97.16681
443.5043 104.4383
443.9865 112.1011
444.4686 120.1004
444.9507 128.2400
445.4328 136.4098
445.9149 144.6899
446.3970 153.2134
446.8792 161.9283
447.3613 170.8952
447.8434 180.0323
448.3255 189.4816
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