#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:41:18 +0300 (Thu, 07 Jun 2018) $
#$Revision: 922 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000395.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_1000395
loop_
_publ_author_name
'Chao, G. Y.'
_publ_section_title
;
 The crystal structure of carletonite, KNa4Ca4Si8O18(CO3)4(F,OH).H2O, a
 double-sheet silicate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              765
_journal_page_last               778
_journal_volume                  57
_journal_year                    1972
_chemical_compound_source        R050255
_chemical_formula_sum
'C4 H4.59 Al0.112 Ca3.76 F0.41 K0.882 Na3.658 O31.373 Si7.748'
_chemical_name_mineral           Carletonite
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.178
_cell_length_b                   13.178
_cell_length_c                   16.695
_cell_volume                     2899.248
_exptl_crystal_density_diffrn    2.411
_cod_original_cell_volume        2899.249
_cod_original_formula_sum
'Si7.748 Al.112 Ca3.76 K.882 Na3.658 C4 O31.373 F.41 H4.59'
_cod_database_code               9000278
_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            R050255.rod
_rod_data_source.block           3500000
_rod_database.code               1000395
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 9000278 COD http://www.crystallography.net/cod/9000278.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
168.8156 0.0000000E+00
169.2978 0.2680050
169.7799 0.3424680
170.2620 2.442200
170.7441 7.133606
171.2262 11.19049
171.7083 12.14270
172.1905 12.28009
172.6726 14.00995
173.1547 18.05188
173.6368 22.58331
174.1189 26.28076
174.6010 29.12091
175.0832 31.12976
175.5653 31.49799
176.0474 31.29755
176.5295 32.04053
177.0116 34.46875
177.4937 37.86536
177.9759 40.58521
178.4580 42.65948
178.9401 44.79565
179.4222 47.95477
179.9043 51.41986
180.3864 53.74951
180.8686 54.44641
181.3507 54.47559
181.8328 54.75159
182.3149 55.35382
182.7970 56.79584
183.2791 59.25885
183.7613 62.82367
184.2434 68.13550
184.7255 77.07001
185.2076 90.20404
185.6897 104.8324
186.1718 117.1446
186.6540 126.2880
187.1361 134.6170
187.6182 142.4468
188.1003 148.9564
188.5824 153.7118
189.0645 157.3903
189.5467 161.5014
190.0288 166.0563
190.5109 170.3782
190.9930 174.4691
191.4751 178.1327
191.9572 179.9083
192.4394 179.4976
192.9215 177.0493
193.4036 173.0024
193.8857 167.3482
194.3678 159.8825
194.8499 150.9199
195.3321 140.4423
195.8142 126.5991
196.2963 107.8314
196.7784 86.05267
197.2605 67.74396
197.7426 53.21375
198.2248 40.66650
198.7069 28.74731
199.1890 17.33282
199.6711 7.966858
200.1532 1.158508
200.6353 3.381165
201.1175 7.171509
201.5996 10.26251
202.0817 11.89429
202.5638 11.09833
203.0459 7.591492
203.5280 2.966309
204.0102 2.035767
204.4923 7.607788
204.9744 14.38416
205.4565 22.49927
205.9386 31.15613
206.4207 39.65387
206.9029 48.01941
207.3850 57.91748
207.8671 70.33868
208.3492 84.58398
208.8313 96.40155
209.3134 105.9036
209.7956 114.2858
210.2777 124.3441
210.7598 136.9018
211.2419 148.6677
211.7240 158.7549
212.2061 167.3204
212.6883 176.7887
213.1704 187.8714
213.6525 198.8040
214.1346 207.7279
214.6167 214.2893
215.0988 220.2216
215.5810 226.2438
216.0631 232.1801
216.5452 235.7634
217.0273 236.7750
217.5094 235.7476
217.9915 233.0443
218.4736 228.3135
218.9558 222.7337
219.4379 216.6983
219.9200 210.1180
220.4021 202.3408
220.8842 193.1600
221.3663 183.1572
221.8485 172.7855
222.3306 161.3351
222.8127 151.0290
223.2948 142.9383
223.7769 136.7819
224.2590 129.2086
224.7412 119.0822
225.2233 108.8893
225.7054 100.7039
226.1875 95.40710
226.6696 90.64435
227.1517 86.00745
227.6339 81.42474
228.1160 76.42517
228.5981 70.72095
229.0802 64.95941
229.5623 59.71143
230.0444 54.75403
230.5266 50.70612
231.0087 48.16443
231.4908 46.94403
231.9729 44.16089
232.4550 39.23676
232.9371 33.44543
233.4193 27.56055
233.9014 20.57172
234.3835 15.68506
234.8656 14.17029
235.3477 15.60382
235.8298 15.43439
236.3120 12.71686
236.7941 9.494385
237.2762 6.939636
237.7583 3.988037
238.2404 4.133484
238.7225 9.645386
239.2047 19.46088
239.6868 24.04987
240.1689 20.90906
240.6510 15.77618
241.1331 12.34528
241.6152 11.00092
242.0974 10.69666
242.5795 12.28613
243.0616 15.10541
243.5437 14.82269
244.0258 9.545105
244.5079 3.706482
244.9901 9.1858000E-02
245.4722 0.2372440
245.9543 0.6018070
246.4364 1.430908
246.9185 2.494568
247.4007 2.643188
247.8828 1.181213
248.3649 0.2744750
248.8470 0.5227660
249.3291 1.992798
249.8112 1.976196
250.2934 1.899536
250.7755 8.374390
251.2576 13.08356
251.7397 15.42755
252.2218 16.88385
252.7039 17.98285
253.1861 18.18097
253.6682 19.38489
254.1503 21.92920
254.6324 25.43018
255.1145 28.81964
255.5966 32.05933
256.0787 35.22314
256.5609 38.29010
257.0430 41.13947
257.5251 44.15601
258.0072 47.40710
258.4893 50.53192
258.9714 53.19702
259.4536 55.55499
259.9357 57.36804
260.4178 58.57837
260.8999 59.10681
261.3820 60.23962
261.8641 62.04230
262.3463 64.16956
262.8284 66.30884
263.3105 68.36096
263.7926 70.60260
264.2747 73.25464
264.7568 76.49146
265.2390 78.97113
265.7211 80.22552
266.2032 81.32532
266.6853 84.01666
267.1674 88.84741
267.6495 93.55902
268.1317 97.29230
268.6138 100.0175
269.0959 103.1382
269.5780 106.6143
270.0601 110.5400
270.5422 115.0579
271.0244 120.2800
271.5065 125.6843
271.9886 131.0720
272.4707 136.5068
272.9528 142.3141
273.4349 148.4478
273.9171 154.8126
274.3992 161.4638
274.8813 168.4243
275.3634 175.3565
275.8455 182.0031
276.3276 188.4310
276.8098 195.3582
277.2919 203.1288
277.7740 210.4478
278.2561 215.9573
278.7382 219.4720
279.2203 222.7566
279.7025 226.0995
280.1846 229.4583
280.6667 232.9764
281.1488 236.9551
281.6309 239.6675
282.1130 239.2837
282.5952 235.7824
283.0773 232.6488
283.5594 230.7947
284.0415 229.1333
284.5236 224.7940
285.0057 217.6036
285.4879 209.4775
285.9700 201.4496
286.4521 193.5200
286.9342 185.7868
287.4163 178.4529
287.8984 170.9338
288.3806 161.9178
288.8627 151.3866
289.3448 141.1586
289.8269 132.1639
290.3090 124.3009
290.7911 117.2797
291.2733 111.0414
291.7554 105.5145
292.2375 101.0305
292.7196 97.44495
293.2017 93.83173
293.6838 89.35547
294.1660 84.44135
294.6481 80.47949
295.1302 77.61334
295.6123 75.17621
296.0944 72.42462
296.5765 69.54980
297.0587 67.08289
297.5408 65.31775
298.0229 63.95074
298.5050 62.54041
298.9871 61.08032
299.4692 59.47437
299.9514 57.70819
300.4335 55.77167
300.9156 53.73547
301.3977 51.82855
301.8798 49.55804
302.3619 46.00745
302.8441 41.23938
303.3262 36.52563
303.8083 33.18048
304.2904 30.36945
304.7725 26.40741
305.2546 20.27478
305.7368 14.07959
306.2189 9.831543
306.7010 7.280151
307.1831 5.514587
307.6652 4.567566
308.1473 4.383423
308.6295 4.526184
309.1116 4.776062
309.5937 5.572388
310.0758 7.492432
310.5579 10.24841
311.0400 13.14569
311.5222 15.54938
312.0043 18.12518
312.4864 21.57251
312.9685 26.16498
313.4506 30.54791
313.9327 33.95270
314.4149 36.66486
314.8970 39.14758
315.3791 42.64642
315.8612 45.13617
316.3433 45.11584
316.8254 42.44348
317.3076 39.23859
317.7897 36.08160
318.2718 33.00092
318.7539 29.97662
319.2360 26.97626
319.7181 24.08557
320.2003 21.31769
320.6824 18.67444
321.1645 16.31836
321.6466 14.91846
322.1287 13.45984
322.6108 11.24396
323.0930 6.181213
323.5751 2.554993
324.0572 2.036316
324.5393 3.801331
325.0214 4.764587
325.5035 3.736755
325.9857 2.374573
326.4678 1.390808
326.9499 0.7737430
327.4320 0.6484380
327.9141 1.750122
328.3962 3.293152
328.8784 3.670227
329.3605 1.768921
329.8426 0.1955570
330.3247 1.540466
330.8068 1.950806
331.2889 2.872803
331.7711 4.994080
332.2532 7.257324
332.7353 8.352905
333.2174 7.523743
333.6995 6.743103
334.1816 6.534973
334.6638 6.922546
335.1459 6.690033
335.6280 5.695862
336.1101 4.247986
336.5922 2.517517
337.0743 0.2634890
337.5565 1.586914
338.0386 2.704529
338.5207 3.337036
339.0028 4.738464
339.4849 7.217468
339.9670 9.670166
340.4492 11.10107
340.9312 11.18347
341.4134 12.87195
341.8955 16.89240
342.3776 21.87881
342.8597 25.16663
343.3418 26.65994
343.8239 27.11380
344.3061 26.27841
344.7882 24.36444
345.2703 23.81110
345.7524 24.81583
346.2345 26.54282
346.7166 28.35684
347.1988 30.18646
347.6809 30.99997
348.1630 29.70105
348.6451 27.36591
349.1272 26.93704
349.6093 28.42429
350.0915 30.62863
350.5736 32.37399
351.0557 33.95285
351.5378 36.26736
352.0199 39.73178
352.5020 43.72342
352.9842 47.71747
353.4663 51.66385
353.9484 55.14523
354.4305 58.07346
354.9126 60.32025
355.3947 61.65161
355.8769 61.91153
356.3590 61.66733
356.8411 61.26538
357.3232 60.73508
357.8053 60.12296
358.2874 59.92734
358.7696 59.35391
359.2517 57.76459
359.7338 55.10706
360.2159 51.78757
360.6980 47.40219
361.1801 42.74283
361.6623 38.75150
362.1444 35.56879
362.6265 33.27698
363.1086 32.48978
363.5907 32.96664
364.0728 32.78210
364.5550 30.25885
365.0371 27.29184
365.5192 25.24350
366.0013 25.30334
366.4834 25.24185
366.9655 24.65067
367.4477 23.49802
367.9298 21.98825
368.4119 19.31598
368.8940 17.16260
369.3761 16.07834
369.8582 16.22226
370.3404 17.06580
370.8225 19.34286
371.3046 21.95972
371.7867 23.55002
372.2688 22.78091
372.7509 22.99969
373.2331 25.27176
373.7152 29.52527
374.1973 32.43146
374.6794 33.25934
375.1615 33.81860
375.6436 35.64334
376.1258 39.41046
376.6079 41.91724
377.0900 42.14078
377.5721 41.35013
378.0542 43.46686
378.5363 49.12619
379.0185 54.88098
379.5006 58.60876
379.9827 60.34042
380.4648 63.03738
380.9469 66.87161
381.4290 71.19174
381.9112 75.30988
382.3933 79.23203
382.8754 83.07495
383.3575 86.82260
383.8396 90.48816
384.3217 94.00455
384.8039 97.37143
385.2860 100.6678
385.7681 104.2544
386.2502 107.8633
386.7323 110.8556
387.2144 113.0529
387.6966 114.5689
388.1787 115.5494
388.6608 116.0681
389.1429 116.1488
389.6250 115.5907
390.1071 114.6074
390.5893 113.7825
391.0714 113.4896
391.5535 112.2285
392.0356 108.4336
392.5177 103.0804
392.9998 97.63147
393.4820 92.19046
393.9641 87.30414
394.4462 83.65396
394.9283 81.16425
395.4104 78.34048
395.8925 73.73639
396.3747 69.05121
396.8568 65.51709
397.3389 64.07242
397.8210 62.83493
398.3031 61.25769
398.7852 59.61133
399.2674 58.62988
399.7495 59.16141
400.2316 59.65179
400.7137 59.65002
401.1958 59.18796
401.6779 57.99393
402.1601 55.52921
402.6422 52.67596
403.1243 50.42001
403.6064 49.03979
404.0885 47.79248
404.5706 46.76920
405.0528 45.85965
405.5349 43.97281
406.0170 40.65277
406.4991 37.48593
406.9812 35.86157
407.4633 36.08313
407.9455 35.25052
408.4276 32.93143
408.9097 29.78781
409.3918 26.61874
409.8739 23.40875
410.3560 20.89029
410.8382 19.77036
411.3203 19.63168
411.8024 18.89508
412.2845 17.53336
412.7666 15.65903
413.2487 12.79117
413.7309 9.409088
414.2130 6.937164
414.6951 5.903259
415.1772 5.682953
415.6593 6.101471
416.1414 6.872681
416.6236 6.781616
417.1057 4.210602
417.5878 0.8713380
418.0699 1.409729
418.5520 2.287750
419.0341 2.798309
419.5163 3.383362
419.9984 4.051453
420.4805 4.796112
420.9626 6.407867
421.4447 7.380798
421.9268 6.507385
422.4090 3.978760
422.8911 2.352448
423.3732 3.507050
423.8553 4.960236
424.3374 5.192047
424.8195 3.188110
425.3017 1.157776
425.7838 0.9364930
426.2659 2.940277
426.7480 4.554688
427.2301 5.554749
427.7122 6.456482
428.1944 7.254700
428.6765 7.864563
429.1586 9.375214
429.6407 12.36182
430.1228 15.41977
430.6049 17.08942
431.0871 16.89859
431.5692 17.48468
432.0513 19.63251
432.5334 22.52472
433.0155 23.51770
433.4977 22.39465
433.9798 21.45163
434.4619 21.86963
434.9440 23.56357
435.4261 26.39905
435.9082 30.63641
436.3904 34.73523
436.8725 36.51385
437.3546 36.56601
437.8367 36.81003
438.3188 38.02686
438.8009 39.65616
439.2830 41.09491
439.7651 42.33939
440.2473 43.32663
440.7294 44.53458
441.2115 45.22531
441.6936 44.33676
442.1757 41.19040
442.6578 38.21579
443.1400 37.07199
443.6221 36.94214
444.1042 36.57220
444.5863 34.82184
445.0684 33.43124
445.5505 33.07263
446.0327 33.74686
446.5148 34.91083
446.9969 36.14743
447.4790 38.04077
447.9611 40.96957
448.4432 45.57773
448.9254 50.29910
449.4075 54.80923
449.8896 59.50381
450.3717 65.23779
450.8538 72.58215
451.3359 79.82538
451.8181 86.38855
452.3002 92.30893
452.7823 98.50787
453.2644 105.1127
453.7465 111.9075
454.2286 118.5445
454.7108 125.0040
455.1929 132.5951
455.6750 141.6903
456.1571 151.8555
456.6392 162.1159
457.1213 172.6257
457.6035 184.1648
458.0856 197.6030
458.5677 212.4050
459.0498 227.5231
459.5319 242.8029
460.0140 258.8006
460.4962 276.7697
460.9783 295.8675
461.4604 314.4433
461.9425 332.1318
462.4246 348.8435
462.9067 364.9398
463.3889 379.9004
463.8710 392.0591
464.3531 400.9673
464.8352 406.8171
465.3173 409.8152
465.7994 410.1219
466.2816 406.1292
466.7637 397.3198
467.2458 384.1954
467.7279 367.1836
468.2100 342.5125
468.6921 318.4904
469.1743 295.0160
469.6564 272.7162
470.1385 253.4651
470.6206 238.6833
471.1027 224.9728
471.5848 210.6486
472.0670 195.2036
472.5491 182.9266
473.0312 174.0521
473.5133 167.4452
473.9954 161.7231
474.4775 156.8459
474.9597 153.9351
475.4418 153.4227
475.9239 154.7358
476.4060 156.4130
476.8881 158.5852
477.3702 162.6605
477.8524 169.7954
478.3345 179.3354
478.8166 190.2981
479.2987 202.7207
479.7808 215.8567
480.2629 229.0956
480.7451 242.4650
481.2272 255.9140
481.7093 269.9073
482.1914 283.5150
482.6735 295.5099
483.1556 306.5622
483.6378 318.5365
484.1199 331.0007
484.6020 345.2682
485.0841 361.9689
485.5662 381.0298
486.0483 402.4115
486.5305 425.5623
487.0126 451.3581
487.4947 480.7085
487.9768 512.7878
488.4589 548.6396
488.9410 588.7511
489.4232 632.4802
489.9053 679.2913
490.3874 729.9545
490.8695 782.1451
491.3516 836.2130
491.8337 892.6325
492.3159 945.8538
492.7980 996.6611
493.2801 1043.732
493.7622 1088.391
494.2443 1129.344
494.7264 1156.838
495.2086 1171.207
495.6907 1167.380
496.1728 1136.195
496.6549 1080.235
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