#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:36:25 +0300 (Thu, 24 May 2018) $
#$Revision: 766 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100028.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_2100028
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 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            R080066.rod
_rod_data_source.block           3500000
_rod_database.code               2100028
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
126.1017 0.0000000E+00
126.5838 5.549805
127.0659 10.95923
127.5480 16.20300
128.0302 18.35132
128.5123 23.68695
128.9944 17.63513
129.4765 8.655090
129.9586 1.840271
130.4407 2.176636
130.9229 3.479553
131.4050 2.377319
131.8871 0.8508910
132.3692 6.529541
132.8513 15.84442
133.3334 27.89777
133.8156 38.82867
134.2977 47.44037
134.7798 56.09076
135.2619 66.51630
135.7440 79.72784
136.2261 94.86157
136.7083 109.3199
137.1904 123.3950
137.6725 136.2313
138.1546 147.2730
138.6367 156.6655
139.1188 164.0182
139.6010 169.2128
140.0831 172.2552
140.5652 173.9025
141.0473 173.7373
141.5294 172.8046
142.0115 172.6259
142.4937 173.8540
142.9758 174.2465
143.4579 173.0503
143.9400 170.0110
144.4221 166.3907
144.9042 161.1204
145.3864 155.8040
145.8685 153.4359
146.3506 155.5039
146.8327 158.3530
147.3148 160.6833
147.7969 161.4816
148.2791 164.0139
148.7612 168.9180
149.2433 175.4529
149.7254 181.9971
150.2075 186.9397
150.6896 193.2607
151.1718 202.0414
151.6539 214.7195
152.1360 227.7290
152.6181 240.7687
153.1002 254.0562
153.5823 268.1860
154.0645 285.4019
154.5466 302.0237
155.0287 316.3571
155.5108 328.1232
155.9929 337.9738
156.4750 345.4620
156.9572 350.9189
157.4393 355.5450
157.9214 360.5698
158.4035 364.3169
158.8856 365.7637
159.3677 363.8357
159.8499 360.4448
160.3320 356.0237
160.8141 350.6022
161.2962 344.1802
161.7783 337.1678
162.2604 329.0433
162.7426 319.3777
163.2247 306.0281
163.7068 292.8840
164.1889 281.5067
164.6710 271.9631
165.1531 263.4360
165.6353 255.4849
166.1174 248.3584
166.5995 242.3240
167.0816 236.9772
167.5637 233.0920
168.0458 231.4195
168.5280 231.9764
169.0101 233.5032
169.4922 234.7859
169.9743 236.6104
170.4564 240.0905
170.9385 246.7337
171.4207 254.5883
171.9028 262.2007
172.3849 269.5007
172.8670 276.3201
173.3491 282.2023
173.8312 287.5622
174.3134 293.2101
174.7955 300.0634
175.2776 307.1244
175.7597 313.1112
176.2418 317.9325
176.7239 322.2446
177.2061 326.3530
177.6882 330.4727
178.1703 335.1153
178.6524 340.5973
179.1345 346.7894
179.6166 353.7806
180.0988 361.8596
180.5809 369.5208
181.0630 374.0153
181.5451 376.3278
182.0272 380.1185
182.5093 387.3613
182.9915 397.5121
183.4736 409.9255
183.9557 424.2130
184.4378 438.8804
184.9199 451.6633
185.4020 462.6480
185.8842 473.8704
186.3663 486.8064
186.8484 500.8617
187.3305 513.3964
187.8126 524.3015
188.2947 533.9491
188.7769 543.2673
189.2590 552.2958
189.7411 560.1062
190.2232 566.7631
190.7053 572.0111
191.1874 574.1234
191.6696 572.6503
192.1517 568.4026
192.6338 562.9988
193.1159 556.4897
193.5980 548.0436
194.0801 536.6155
194.5623 522.4832
195.0444 508.1615
195.5265 493.9615
196.0086 479.6917
196.4907 464.8224
196.9728 449.2739
197.4550 433.7845
197.9371 418.6991
198.4192 404.0180
198.9013 389.8594
199.3834 376.2172
199.8655 363.1849
200.3477 350.8076
200.8298 339.1740
201.3119 327.9035
201.7940 316.5013
202.2761 304.8853
202.7582 294.1116
203.2404 284.3330
203.7225 275.4164
204.2046 267.0934
204.6867 259.4770
205.1688 252.0422
205.6509 244.8206
206.1331 237.9726
206.6152 229.9073
207.0973 220.0396
207.5794 209.0993
208.0615 199.2432
208.5436 190.4819
209.0258 182.7249
209.5079 176.4355
209.9900 172.2362
210.4721 166.6470
210.9542 159.0692
211.4363 150.0185
211.9185 140.9876
212.4006 131.5408
212.8827 122.9672
213.3648 116.5334
213.8469 112.8285
214.3290 108.6754
214.8112 103.4879
215.2933 97.77313
215.7754 93.12378
216.2575 89.66754
216.7396 87.01047
217.2217 85.01517
217.7038 83.80920
218.1860 82.88095
218.6681 82.17209
219.1502 81.73270
219.6323 81.98627
220.1144 83.66559
220.5965 84.80737
221.0787 84.10968
221.5608 80.75073
222.0429 77.88040
222.5250 76.02991
223.0071 74.77512
223.4892 72.50189
223.9714 68.30048
224.4535 64.47696
224.9356 62.41223
225.4177 63.16507
225.8998 63.12753
226.3819 61.76886
226.8641 59.53702
227.3462 58.13788
227.8283 58.06738
228.3104 58.04529
228.7925 57.44916
229.2746 56.10443
229.7568 54.49707
230.2389 52.56747
230.7210 50.36429
231.2031 48.15820
231.6852 46.01950
232.1673 43.77542
232.6495 41.39172
233.1316 38.95798
233.6137 36.16138
234.0958 32.84317
234.5779 29.23578
235.0600 26.15347
235.5422 24.13376
236.0243 21.80557
236.5064 18.32785
236.9885 12.45050
237.4706 8.258545
237.9527 6.617249
238.4349 6.498352
238.9170 5.386078
239.3991 2.933716
239.8812 3.5797000E-02
240.3633 3.118713
240.8454 7.142670
241.3276 9.852264
241.8097 10.77081
242.2918 10.54959
242.7739 10.56747
243.2560 11.19000
243.7381 11.43698
244.2203 10.73187
244.7024 8.314819
245.1845 7.136322
245.6666 7.959564
246.1487 9.723846
246.6308 10.32584
247.1130 9.075989
247.5951 7.779266
248.0772 7.198242
248.5593 7.731201
249.0414 7.505249
249.5235 6.179749
250.0057 4.235870
250.4878 2.481598
250.9699 0.9684140
251.4520 0.3507690
251.9341 1.427887
252.4162 2.151672
252.8984 3.204224
253.3805 4.629333
253.8626 6.338959
254.3447 8.180908
254.8268 10.15720
255.3089 12.30502
255.7911 14.77420
256.2732 17.69901
256.7553 19.82169
257.2374 20.66528
257.7195 21.19162
258.2017 22.60959
258.6838 25.23489
259.1659 28.03088
259.6480 30.74072
260.1301 33.33353
260.6122 36.36472
261.0944 40.26208
261.5765 44.08017
262.0586 46.62555
262.5407 47.22885
263.0228 48.43842
263.5049 51.05618
263.9871 55.01523
264.4692 57.98291
264.9513 59.44498
265.4334 60.78183
265.9155 63.50174
266.3976 68.15167
266.8798 72.19495
267.3619 75.04767
267.8440 76.86151
268.3261 78.70242
268.8082 80.60291
269.2903 82.45505
269.7725 84.30780
270.2546 86.32422
270.7367 87.46365
271.2188 87.30569
271.7009 86.20285
272.1830 85.77704
272.6652 86.37195
273.1473 86.71475
273.6294 85.70230
274.1115 83.03204
274.5936 80.87891
275.0757 79.54056
275.5579 78.76685
276.0400 78.10681
276.5221 77.74786
277.0042 76.77441
277.4863 74.34894
277.9684 70.33078
278.4506 66.82791
278.9327 64.12360
279.4148 61.87158
279.8969 59.20984
280.3790 56.04395
280.8611 53.03171
281.3433 50.49738
281.8254 48.44092
282.3075 46.95795
282.7896 46.27142
283.2717 45.59857
283.7538 43.31482
284.2360 39.34970
284.7181 35.88672
285.2002 34.15292
285.6823 33.90625
286.1644 33.15680
286.6465 31.77631
287.1287 30.24307
287.6108 29.17694
288.0929 28.56796
288.5750 28.04700
289.0571 27.55212
289.5392 27.01239
290.0214 26.11710
290.5035 24.82285
290.9856 23.42426
291.4677 22.31549
291.9498 21.44763
292.4319 20.44202
292.9141 19.01096
293.3962 17.49020
293.8783 16.75320
294.3604 16.80649
294.8425 17.06631
295.3246 17.24838
295.8068 17.29196
296.2889 16.95007
296.7710 16.01785
297.2531 14.75729
297.7352 13.49167
298.2173 12.19333
298.6995 11.07040
299.1816 10.76373
299.6637 10.96500
300.1458 10.86526
300.6279 10.27722
301.1100 9.321106
301.5922 7.935455
302.0743 6.330536
302.5564 5.234589
303.0385 5.144958
303.5206 5.508209
304.0027 5.639282
304.4849 5.476013
304.9670 5.454254
305.4491 6.214386
305.9312 7.334930
306.4133 7.842590
306.8954 6.725708
307.3776 5.228241
307.8597 4.646912
308.3418 5.110474
308.8239 5.809967
309.3060 5.967316
309.7881 5.968262
310.2703 6.420288
310.7524 7.797638
311.2345 9.580109
311.7166 11.61093
312.1987 13.85162
312.6808 15.69647
313.1630 16.90161
313.6451 17.50623
314.1272 17.55896
314.6093 16.28635
315.0914 15.18695
315.5735 15.24176
316.0557 16.23032
316.5378 16.97836
317.0199 16.82349
317.5020 16.32886
317.9841 15.86688
318.4662 15.31018
318.9484 15.12625
319.4305 15.73129
319.9126 16.84967
320.3947 17.75494
320.8768 17.84717
321.3589 17.97049
321.8411 18.61179
322.3232 20.11041
322.8053 21.42117
323.2874 22.11176
323.7695 22.53497
324.2516 23.24985
324.7338 24.80447
325.2159 26.23465
325.6980 27.28677
326.1801 27.95795
326.6622 28.20871
327.1443 27.93945
327.6265 27.30011
328.1086 26.43219
328.5907 24.89627
329.0728 23.65198
329.5549 23.20181
330.0370 23.56107
330.5192 22.75800
331.0013 19.72839
331.4834 16.43777
331.9655 14.28070
332.4476 14.28333
332.9297 13.61868
333.4119 11.67566
333.8940 8.843536
334.3761 6.922424
334.8582 6.408447
335.3403 6.064026
335.8224 5.183716
336.3046 3.382538
336.7867 2.233978
337.2688 2.011780
337.7509 2.260956
338.2330 2.021057
338.7151 1.135345
339.1973 0.2548220
339.6794 0.3138430
340.1615 0.5411070
340.6436 1.030579
341.1257 1.822174
341.6078 2.769226
342.0899 3.861176
342.5721 5.146545
343.0542 5.848846
343.5363 5.454926
344.0184 4.306519
344.5005 3.969238
344.9826 4.530212
345.4648 5.296356
345.9469 5.690796
346.4290 5.741730
346.9111 5.725586
347.3932 5.818634
347.8753 5.716827
348.3575 4.525177
348.8396 2.363464
349.3217 0.4648440
349.8038 0.2038570
350.2859 3.0182000E-02
350.7680 0.4703060
351.2502 1.122955
351.7323 1.670410
352.2144 1.605103
352.6965 1.095673
353.1786 0.6802370
353.6607 1.059723
354.1429 1.481964
354.6250 0.8335880
355.1071 0.9589840
355.5892 2.841766
356.0713 3.941772
356.5534 4.634918
357.0356 5.492554
357.5177 7.062622
357.9998 8.607391
358.4819 9.333862
358.9640 9.404114
359.4461 9.732178
359.9283 10.89734
360.4104 12.46518
360.8925 14.10895
361.3746 15.76163
361.8567 17.49271
362.3388 19.39905
362.8210 21.38455
363.3031 23.31299
363.7852 25.09039
364.2673 26.81415
364.7494 28.37729
365.2315 29.55927
365.7137 31.32706
366.1958 34.09500
366.6779 37.48206
367.1600 41.05084
367.6421 44.77048
368.1242 48.75345
368.6064 52.97531
369.0885 57.36981
369.5706 62.01416
370.0527 67.16333
370.5348 72.40265
371.0169 77.55301
371.4991 82.48114
371.9812 87.48798
372.4633 92.47678
372.9454 97.54343
373.4275 103.1445
373.9096 110.1024
374.3918 116.2995
374.8739 120.5058
375.3560 122.3591
375.8381 124.1228
376.3202 125.8362
376.8023 127.3748
377.2845 128.2704
377.7666 128.2438
378.2487 129.1239
378.7308 132.0348
379.2129 136.4986
379.6950 138.5367
380.1772 137.7275
380.6593 136.7408
381.1414 138.2115
381.6235 141.9030
382.1056 145.8008
382.5877 149.4676
383.0699 153.1227
383.5520 157.0254
384.0341 161.2373
384.5162 165.9710
384.9983 171.7257
385.4804 178.1020
385.9626 184.4498
386.4447 190.7980
386.9268 196.6083
387.4089 201.6761
387.8910 205.8200
388.3731 208.5026
388.8553 208.7679
389.3374 207.9275
389.8195 207.3680
390.3016 207.0433
390.7837 205.8699
391.2658 203.3412
391.7480 199.5395
392.2301 194.5428
392.7122 188.2445
393.1943 180.9783
393.6764 172.1581
394.1585 162.3840
394.6407 153.5317
395.1228 146.5488
395.6049 140.4218
396.0870 134.5836
396.5691 128.9465
397.0512 123.6853
397.5334 118.2225
398.0155 113.3698
398.4976 110.1584
398.9797 109.6838
399.4618 109.7061
399.9439 109.6270
400.4261 109.4304
400.9082 110.3605
401.3903 112.8260
401.8724 116.1971
402.3545 120.0458
402.8366 124.3442
403.3188 128.8456
403.8009 133.3385
404.2830 138.1617
404.7651 144.3008
405.2472 152.0534
405.7293 160.0715
406.2115 167.9532
406.6936 175.6795
407.1757 183.3916
407.6578 191.1165
408.1399 198.5236
408.6220 205.6855
409.1042 212.5707
409.5863 218.0532
410.0684 221.9213
410.5505 224.1869
411.0326 225.4515
411.5147 225.6249
411.9969 223.2105
412.4790 216.4165
412.9611 206.3399
413.4432 195.5269
413.9253 184.2110
414.4074 172.2048
414.8896 159.0547
415.3717 145.0125
415.8538 130.7315
416.3359 115.6214
416.8180 101.0936
417.3001 89.00470
417.7823 79.17090
418.2644 69.79120
418.7465 58.86835
419.2286 48.06659
419.7107 39.16055
420.1928 33.34576
420.6750 28.32156
421.1571 23.36731
421.6392 18.51660
422.1213 13.98682
422.6034 9.424774
423.0855 5.555908
423.5677 2.881012
424.0498 1.948486
424.5319 0.4435420
425.0140 3.041443
425.4961 6.596527
425.9782 8.281250
426.4604 6.987640
426.9425 5.390045
427.4246 3.515930
427.9067 1.513458
428.3888 0.7612610
428.8709 2.118195
429.3531 3.209381
429.8352 2.539215
430.3173 0.2875980
430.7994 2.667206
431.2815 4.190430
431.7636 5.774902
432.2458 9.141113
432.7279 14.39661
433.2100 19.52728
433.6921 23.68533
434.1742 27.20276
434.6563 31.06619
435.1385 35.31363
435.6206 40.09293
436.1027 45.95477
436.5848 52.47250
437.0669 58.35626
437.5490 63.13596
438.0312 67.83444
438.5133 73.65372
438.9954 80.40298
439.4775 87.54324
439.9596 95.17773
440.4417 102.8507
440.9239 109.6364
441.4060 115.4867
441.8881 122.7091
442.3702 133.3479
442.8523 145.5735
443.3344 157.7093
443.8166 168.8226
444.2987 180.3389
444.7808 192.3209
445.2629 204.9825
445.7450 219.0745
446.2271 235.3610
446.7093 252.2197
447.1914 268.9002
447.6735 285.0622
448.1556 302.1914
448.6377 319.7113
449.1198 338.4061
449.6020 359.3739
450.0841 383.3971
450.5662 407.0767
451.0483 429.4283
451.5304 451.1492
452.0125 474.5829
452.4947 499.8738
452.9768 527.0273
453.4589 556.8609
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