#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:08:50 +0300 (Thu, 24 May 2018) $
#$Revision: 880 $
#$URL: svn://172.16.1.111/rod/cif/2/00/00/2000006.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_2000006
loop_
_publ_author_name
'Cadoni, Marcella'
'Ferraris, Giovanni'
_publ_section_title
;
 Penkvilksite-2<i>O</i>: Na~2~TiSi~4~O~11~&#x00B7;2H~2~O
;
_journal_coeditor_code           FA3162
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              87
_journal_page_last               90
_journal_paper_doi               10.1107/S0108270108031806
_journal_volume                  64
_journal_year                    2008
_chemical_compound_source        R130027
_chemical_formula_iupac          'Na2 Ti Si4 O11, 2H2 O'
_chemical_formula_moiety         'Na2 Ti Si4 O11, 2(H2 O)'
_chemical_formula_sum            'H4 Na2 O13 Si4 Ti'
_chemical_formula_weight         418.10
_chemical_name_common            'sodium titanosilicate hydrate'
_chemical_name_systematic
;
disodium titanium tetrasilicate dihydrate
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2n'
_symmetry_space_group_name_H-M   'P n c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.320(2)
_cell_length_b                   8.7378(9)
_cell_length_c                   7.3854(8)
_cod_database_code               2016825
_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            R130027.rod
_rod_data_source.block           3500000
_rod_database.code               2000006
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 2016825 COD http://www.crystallography.net/cod/2016825.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
206.9981 0.0000000E+00
207.4802 1.303345
207.9623 1.476074
208.4445 1.532593
208.9266 3.129517
209.4087 8.380615
209.8908 15.36377
210.3729 21.80664
210.8550 28.84497
211.3372 36.78491
211.8193 36.97949
212.3014 37.88245
212.7835 41.60645
213.2656 38.89307
213.7477 26.67810
214.2299 11.27759
214.7120 1.047852
215.1941 2.584229
215.6762 0.9359130
216.1583 5.172241
216.6404 16.11829
217.1226 24.63220
217.6047 32.28589
218.0868 37.25000
218.5689 36.26270
219.0510 26.25537
219.5331 18.90076
220.0153 17.95667
220.4974 24.95959
220.9795 30.24292
221.4616 36.53711
221.9437 40.48767
222.4258 37.17822
222.9080 23.00537
223.3901 11.18005
223.8722 5.522583
224.3543 6.499878
224.8364 8.453735
225.3185 11.31055
225.8007 15.14453
226.2828 20.56641
226.7649 29.46094
227.2470 36.05432
227.7291 38.25525
228.2112 35.43250
228.6934 33.23645
229.1755 32.56909
229.6576 31.72900
230.1397 28.32532
230.6218 20.68103
231.1039 13.46179
231.5861 7.996948
232.0682 4.407227
232.5503 1.096436
233.0324 2.378174
233.5145 5.148071
233.9966 5.979126
234.4788 3.708252
234.9609 1.544067
235.4430 0.8325200
235.9251 2.200073
236.4072 0.3387450
236.8893 5.929443
237.3715 14.40674
237.8536 22.59912
238.3357 31.32190
238.8178 38.34863
239.2999 42.63000
239.7820 43.61401
240.2642 45.61328
240.7463 48.47937
241.2284 52.44482
241.7105 57.93286
242.1926 65.64441
242.6747 73.51941
243.1569 81.00098
243.6390 88.03589
244.1211 95.31653
244.6032 103.3357
245.0853 111.2052
245.5674 117.7518
246.0496 122.0355
246.5317 126.8087
247.0138 132.9867
247.4959 140.8124
247.9780 147.6611
248.4601 153.3926
248.9423 158.3947
249.4244 162.7721
249.9065 165.2467
250.3886 169.7845
250.8707 178.0923
251.3528 190.3856
251.8350 200.0148
252.3171 204.1775
252.7992 208.6030
253.2813 219.7548
253.7634 240.9323
254.2455 261.4366
254.7277 279.2534
255.2098 294.4032
255.6919 307.9153
256.1740 318.3917
256.6561 328.9055
257.1382 342.4735
257.6204 360.5458
258.1025 378.4229
258.5846 395.6111
259.0667 412.0931
259.5488 426.0670
260.0309 437.8094
260.5131 446.3361
260.9952 450.9868
261.4773 452.5581
261.9594 448.0275
262.4415 435.6085
262.9236 416.0078
263.4058 398.0646
263.8879 383.4248
264.3700 367.9397
264.8521 347.2003
265.3342 319.2821
265.8163 293.0068
266.2985 270.4783
266.7806 250.9633
267.2627 229.0076
267.7448 203.3434
268.2269 178.2501
268.7090 156.7881
269.1912 138.9805
269.6733 123.9210
270.1554 112.3303
270.6375 103.1532
271.1196 92.15149
271.6017 78.20898
272.0839 65.42529
272.5660 57.03754
273.0481 53.40759
273.5302 51.55402
274.0123 52.17273
274.4944 53.76691
274.9766 51.20929
275.4587 43.13892
275.9408 36.21082
276.4229 35.65326
276.9050 42.10352
277.3871 46.14307
277.8693 46.34949
278.3514 44.74622
278.8335 46.06702
279.3156 50.77869
279.7977 55.71466
280.2798 58.94550
280.7620 60.38739
281.2441 62.43195
281.7262 65.17993
282.2083 68.66418
282.6904 73.13513
283.1725 78.66895
283.6547 83.99481
284.1368 87.53278
284.6189 89.65002
285.1010 95.49524
285.5831 105.9805
286.0652 117.8521
286.5474 126.3770
287.0295 131.6078
287.5116 136.0266
287.9937 140.2181
288.4758 144.3601
288.9579 149.9286
289.4401 157.3572
289.9222 164.2346
290.4043 166.8438
290.8864 165.5808
291.3685 164.6432
291.8506 166.6208
292.3328 170.3246
292.8149 171.7431
293.2970 170.7467
293.7791 167.8583
294.2612 162.9401
294.7433 156.5688
295.2255 151.3262
295.7076 149.0009
296.1897 147.8383
296.6718 143.8462
297.1539 137.1306
297.6360 130.7603
298.1182 127.2603
298.6003 126.1567
299.0824 126.2493
299.5645 127.6509
300.0466 129.6207
300.5287 131.9216
301.0109 134.2944
301.4930 134.8463
301.9751 130.1962
302.4572 123.1631
302.9393 118.6279
303.4214 117.7498
303.9036 119.3406
304.3857 123.6313
304.8678 129.7589
305.3499 134.5942
305.8320 135.8345
306.3141 134.8386
306.7963 132.9726
307.2784 130.1113
307.7605 127.3489
308.2426 125.6472
308.7247 124.7296
309.2068 123.9375
309.6890 123.4624
310.1711 122.6289
310.6532 121.3341
311.1353 119.9148
311.6174 116.1304
312.0995 107.1573
312.5817 95.10266
313.0638 83.25433
313.5459 71.43689
314.0280 61.24274
314.5101 54.27582
314.9922 50.86353
315.4744 47.42419
315.9565 42.06531
316.4386 35.88202
316.9207 30.21014
317.4028 26.07343
317.8849 21.93329
318.3671 16.96417
318.8492 11.17157
319.3313 5.904297
319.8134 1.066101
320.2955 2.817200
320.7776 5.267334
321.2598 5.301270
321.7419 4.918091
322.2240 4.443176
322.7061 3.901855
323.1882 3.364929
323.6703 3.269531
324.1525 2.909973
324.6346 1.921082
325.1167 0.7718510
325.5988 1.685242
326.0809 6.491333
326.5630 12.77356
327.0452 18.14667
327.5273 21.24866
328.0094 24.44751
328.4915 28.65009
328.9736 34.37073
329.4557 39.89337
329.9379 44.64771
330.4200 49.39661
330.9021 55.40540
331.3842 64.27747
331.8663 72.29462
332.3484 77.95276
332.8306 80.47662
333.3127 85.23499
333.7948 92.89624
334.2769 102.2120
334.7590 111.8752
335.2411 122.2625
335.7233 132.4116
336.2054 142.0129
336.6875 151.0555
337.1696 159.6311
337.6517 167.5418
338.1339 175.6002
338.6160 184.4982
339.0981 194.5360
339.5802 203.8877
340.0623 212.4117
340.5444 220.1511
341.0266 226.4208
341.5087 231.0221
341.9908 234.8134
342.4729 238.9012
342.9550 243.3351
343.4371 245.6674
343.9193 245.3666
344.4014 243.3365
344.8835 241.0720
345.3656 238.5140
345.8477 235.4814
346.3298 231.9785
346.8120 228.0181
347.2941 223.6224
347.7762 218.7286
348.2583 214.1207
348.7404 211.1699
349.2225 209.2264
349.7047 205.8588
350.1868 199.0406
350.6689 190.9961
351.1510 185.4875
351.6331 182.4448
352.1152 180.2717
352.5974 177.5211
353.0795 174.7621
353.5616 172.9927
354.0437 172.2894
354.5258 172.9218
355.0079 176.0076
355.4901 181.0159
355.9722 185.5682
356.4543 187.0625
356.9364 187.8928
357.4185 190.7509
357.9006 196.7673
358.3828 203.1241
358.8649 207.5759
359.3470 211.1345
359.8291 215.8722
360.3112 223.0863
360.7933 231.4501
361.2755 240.1041
361.7576 248.8354
362.2397 258.7910
362.7218 271.7645
363.2039 285.6985
363.6860 298.2995
364.1682 308.8229
364.6503 318.1334
365.1324 326.4655
365.6145 333.8795
366.0966 339.6110
366.5787 343.3532
367.0609 345.4990
367.5430 346.3004
368.0251 345.8104
368.5072 343.9210
368.9893 340.1261
369.4714 334.8820
369.9536 329.7502
370.4357 325.2151
370.9178 320.2596
371.3999 314.4417
371.8820 307.1831
372.3641 300.4061
372.8463 294.1158
373.3284 288.3770
373.8105 283.4466
374.2926 280.0450
374.7747 275.7029
375.2568 269.3862
375.7390 261.0308
376.2211 253.5550
376.7032 247.2593
377.1853 240.9993
377.6674 233.7329
378.1495 225.3996
378.6317 215.2028
379.1138 202.6392
379.5959 188.5445
380.0780 174.9532
380.5601 161.9822
381.0422 149.0624
381.5244 135.2886
382.0065 120.9621
382.4886 108.6210
382.9707 98.67438
383.4528 89.93848
383.9349 80.29156
384.4171 70.02802
384.8992 60.86127
385.3813 53.94098
385.8634 48.40698
386.3455 42.53748
386.8276 36.28729
387.3098 30.45087
387.7919 25.82098
388.2740 21.95959
388.7561 18.10327
389.2382 13.44885
389.7203 9.156982
390.2025 6.409363
390.6846 5.002869
391.1667 3.928223
391.6488 2.872620
392.1309 1.787292
392.6130 0.5267330
393.0952 1.233887
393.5773 2.449585
394.0594 2.072205
394.5415 0.8757930
395.0236 0.2982790
395.5057 1.445374
395.9879 2.691650
396.4700 3.229614
396.9521 2.808777
397.4342 2.913147
397.9163 4.579895
398.3984 6.479309
398.8806 7.398376
399.3627 5.764771
399.8448 4.866211
400.3269 5.444763
400.8090 7.261353
401.2911 8.496155
401.7733 9.280212
402.2554 9.356628
402.7375 8.452820
403.2196 5.956848
403.7017 3.961792
404.1838 2.410767
404.6660 1.440308
405.1481 1.667297
405.6302 3.626526
406.1123 4.789856
406.5944 3.888062
407.0765 1.052917
407.5587 0.5444340
408.0408 0.6210940
408.5229 0.5574950
409.0050 1.793945
409.4871 4.261169
409.9692 7.056030
410.4514 10.03711
410.9335 13.17560
411.4156 16.66418
411.8977 20.40979
412.3798 23.71704
412.8619 25.73315
413.3441 27.01776
413.8262 28.85327
414.3083 31.55914
414.7904 33.97919
415.2725 34.60571
415.7546 34.14221
416.2368 34.05743
416.7189 35.17719
417.2010 36.82019
417.6831 38.27014
418.1652 39.56525
418.6473 41.65820
419.1295 46.03552
419.6116 50.96167
420.0937 54.73798
420.5758 56.12549
421.0579 57.65173
421.5400 60.00555
422.0222 63.14935
422.5043 66.93091
422.9864 72.32190
423.4685 77.42169
423.9506 81.39368
424.4327 83.67920
424.9149 86.51868
425.3970 90.68054
425.8791 95.04688
426.3612 98.53558
426.8433 100.5998
427.3254 102.6870
427.8076 105.6828
428.2897 109.1128
428.7718 109.3953
429.2539 106.0567
429.7360 100.5362
430.2181 93.13086
430.7003 83.37030
431.1824 74.71088
431.6645 67.21045
432.1466 61.01709
432.6287 56.89728
433.1108 54.92517
433.5930 53.22333
434.0751 51.15063
434.5572 48.81354
435.0393 46.21558
435.5214 43.34320
436.0035 41.27307
436.4857 41.49139
436.9678 43.26495
437.4499 44.97308
437.9320 46.56934
438.4141 47.34644
438.8962 45.68665
439.3784 42.40924
439.8605 39.92822
440.3426 39.73773
440.8247 40.76270
441.3068 42.40332
441.7889 44.66144
442.2711 46.57990
442.7532 47.10828
443.2353 47.27051
443.7174 48.11261
444.1995 50.07617
444.6816 52.58905
445.1638 55.98456
445.6459 59.95355
446.1280 63.23499
446.6101 66.14966
447.0922 67.89844
447.5743 67.82172
448.0565 64.60999
448.5386 62.92651
449.0207 63.69934
449.5028 65.42499
449.9849 66.14136
450.4670 65.48853
450.9492 64.56555
451.4313 63.60571
451.9134 62.71844
452.3955 62.06372
452.8776 61.71594
453.3597 61.10144
453.8419 59.55957
454.3240 57.18567
454.8061 56.00116
455.2882 56.38446
455.7703 57.22266
456.2524 56.90338
456.7346 55.63098
457.2167 54.46814
457.6988 53.97321
458.1809 53.58710
458.6630 52.59436
459.1451 51.00861
459.6273 48.59979
460.1094 44.51453
460.5915 39.84070
461.0736 36.02356
461.5557 33.41089
462.0378 31.39563
462.5200 29.88428
463.0021 28.56921
463.4842 26.90063
463.9663 24.29895
464.4484 21.89197
464.9305 20.24677
465.4127 19.31500
465.8948 18.90649
466.3769 20.20038
466.8590 21.36005
467.3411 20.99243
467.8232 17.00446
468.3054 14.04492
468.7875 12.83459
469.2696 12.65710
469.7517 11.67401
470.2338 9.323120
470.7159 7.199890
471.1981 5.981140
471.6802 5.716248
472.1623 4.886108
472.6444 3.220825
473.1265 1.718140
473.6086 1.727539
474.0908 3.211609
474.5729 4.021240
475.0550 3.708069
475.5371 2.613403
476.0192 0.7081300
476.5013 1.780090
476.9835 3.004456
477.4656 0.1691280
477.9477 3.948853
478.4298 4.035461
478.9119 0.2467650
479.3940 4.235229
479.8762 3.918884
480.3583 1.202942
480.8404 1.401062
481.3225 3.106323
481.8046 4.665161
482.2867 6.355713
482.7689 8.206238
483.2510 10.27307
483.7331 12.87671
484.2152 15.47949
484.6973 17.58600
485.1794 18.85114
485.6616 21.34351
486.1437 26.27881
486.6258 31.88147
487.1079 36.85010
487.5900 40.87170
488.0721 44.81812
488.5543 48.73883
489.0364 52.62421
489.5185 56.27094
490.0006 59.35254
490.4827 63.09137
490.9648 68.25409
491.4470 74.75812
491.9291 80.57770
492.4112 85.60742
492.8933 90.30609
493.3754 95.23914
493.8575 100.2926
494.3397 104.7859
494.8218 108.3638
495.3039 111.6694
495.7860 115.5999
496.2681 119.9808
496.7502 124.1819
497.2324 128.2794
497.7145 131.8323
498.1966 134.6471
498.6787 136.7306
499.1608 137.3947
499.6429 135.5933
500.1251 132.5698
500.6072 129.3429
501.0893 125.7871
501.5714 122.5601
502.0535 120.4818
502.5356 118.7809
503.0178 115.6937
503.4999 109.5982
503.9820 103.6546
504.4641 98.64032
504.9462 94.57300
505.4283 91.01410
505.9105 88.16211
506.3926 85.58661
506.8747 82.87567
507.3568 79.93463
507.8389 77.61267
508.3210 76.04340
508.8032 75.10938
509.2853 74.53210
509.7674 74.33203
510.2495 74.96057
510.7316 77.16797
511.2137 80.07251
511.6959 81.78717
512.1780 82.34174
512.6601 82.43036
513.1422 81.74103
513.6243 81.19775
514.1064 82.15027
514.5886 85.13208
515.0707 88.52448
515.5528 91.28528
516.0349 93.83868
516.5170 96.83575
516.9991 100.8660
517.4813 105.0072
517.9634 109.0560
518.4455 113.0046
518.9276 116.8014
519.4097 119.8001
519.8918 123.1957
520.3740 127.4036
520.8561 132.4900
521.3382 138.3002
521.8203 145.2570
522.3024 152.4240
522.7845 158.5835
523.2667 163.4029
523.7488 169.0536
524.2309 176.0710
524.7130 183.9829
525.1951 191.8381
525.6772 199.6659
526.1594 207.3677
526.6415 215.1053
527.1236 222.7452
527.6057 229.8055
528.0878 236.2517
528.5699 242.5725
529.0521 249.0359
529.5342 255.5968
530.0163 262.1401
530.4984 268.3800
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1280.190 2.286987
1280.672 3.257813
1281.154 4.428406
1281.636 4.486938
1282.118 3.253845
1282.600 2.361511
1283.083 2.408020
1283.565 2.729858
1284.047 3.412537
1284.529 3.778809
1285.011 2.156860
1285.493 3.9246000E-02
1285.975 0.3690800
1286.457 1.249084
1286.939 2.359436
1287.422 2.751221
1287.904 2.560425
1288.386 1.708679
1288.868 0.8903200
1289.350 0.7435910
1289.832 0.9886470
1290.314 1.704102
1290.796 2.664551
1291.279 3.017151
1291.761 2.654297
1292.243 2.722656
1292.725 3.418762
1293.207 3.855042
1293.689 2.733276
1294.171 1.291443
1294.653 1.915833
1295.135 3.091614
1295.618 2.410767
1296.100 0.1743770
1296.582 0.1998900
1297.064 1.494995
1297.546 2.830383
1298.028 1.507996
1298.510 0.5893550
1298.992 1.210205
1299.475 1.719299
1299.957 2.157471
1300.439 1.976196
1300.921 1.223633
1301.403 0.1652830
1301.885 0.0000000E+00
