#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:26:09 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1087 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000527.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_1000527
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 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            R050255.rod
_rod_data_source.block           3500000
_rod_database.code               1000527
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
123.8610 0.0000000E+00
124.3431 3.062042
124.8252 1.159973
125.3074 0.7562870
125.7895 0.2799990
126.2716 0.6407170
126.7537 1.289612
127.2358 2.490204
127.7179 4.836304
128.2001 8.229706
128.6822 12.35846
129.1643 17.09393
129.6464 22.50266
130.1285 27.85889
130.6107 32.61841
131.0928 37.60144
131.5749 43.31924
132.0570 49.81567
132.5391 56.68445
133.0212 63.12915
133.5034 68.44788
133.9855 74.80978
134.4676 83.07666
134.9497 91.86340
135.4318 99.99396
135.9139 106.9906
136.3960 113.2809
136.8782 119.9730
137.3603 128.6151
137.8424 135.8747
138.3245 140.3900
138.8066 143.4879
139.2887 147.1743
139.7709 152.5901
140.2530 159.2516
140.7351 164.8717
141.2172 168.5800
141.6993 172.3288
142.1814 177.0004
142.6636 182.4327
143.1457 187.9105
143.6278 192.8825
144.1099 197.5357
144.5920 202.5708
145.0741 208.3842
145.5563 214.2862
146.0384 219.7281
146.5205 224.7454
147.0026 229.0602
147.4847 232.2728
147.9668 234.7232
148.4490 236.6965
148.9311 238.1423
149.4132 239.2354
149.8953 240.6138
150.3774 243.2795
150.8595 244.4128
151.3417 242.5140
151.8238 238.6616
152.3059 234.6278
152.7880 231.8337
153.2701 230.0824
153.7522 226.4232
154.2344 219.3600
154.7165 211.5491
155.1986 203.7843
155.6807 195.8203
156.1628 186.8672
156.6449 176.1104
157.1271 163.1726
157.6092 150.9627
158.0913 139.7722
158.5734 128.8226
159.0555 117.6218
159.5376 106.2411
160.0198 95.19205
160.5019 84.97070
160.9840 75.56628
161.4661 67.65836
161.9482 61.79904
162.4303 57.03873
162.9125 52.59225
163.3946 48.79004
163.8767 45.80240
164.3588 43.09888
164.8409 41.74936
165.3230 40.85675
165.8052 40.72638
166.2873 40.90814
166.7694 40.59567
167.2515 39.40912
167.7336 38.24661
168.2157 38.32312
168.6979 39.51129
169.1800 40.61920
169.6621 40.90567
170.1442 40.58896
170.6263 40.59094
171.1084 41.07806
171.5906 41.98163
172.0727 43.35217
172.5548 45.13809
173.0369 46.82944
173.5190 48.07111
174.0011 48.86139
174.4833 49.23404
174.9654 48.18796
175.4475 47.45712
175.9296 48.15744
176.4117 50.30566
176.8938 52.89316
177.3760 54.69153
177.8581 55.39249
178.3402 56.22363
178.8223 57.04523
179.3044 58.13928
179.7865 59.94940
180.2687 62.45691
180.7508 65.07858
181.2329 66.73236
181.7150 66.30838
182.1971 65.92471
182.6792 65.09122
183.1614 64.59805
183.6435 65.43604
184.1256 67.79312
184.6077 70.68863
185.0898 72.24411
185.5719 71.29379
186.0541 70.54922
186.5362 70.09613
187.0183 69.79779
187.5004 69.77502
187.9825 70.15128
188.4646 70.34961
188.9468 68.79727
189.4289 64.69748
189.9110 60.75851
190.3931 57.86066
190.8752 55.57471
191.3573 53.03033
191.8395 49.88196
192.3216 46.22070
192.8037 42.32394
193.2858 38.24908
193.7679 34.10391
194.2500 29.93735
194.7322 25.75443
195.2143 21.43423
195.6964 16.75098
196.1785 12.14920
196.6606 8.078583
197.1427 4.498993
197.6249 1.529541
198.1070 0.5307620
198.5891 1.712708
199.0712 2.963226
199.5533 5.191803
200.0354 7.082062
200.5176 7.238739
200.9997 5.419006
201.4818 3.204071
201.9639 2.520050
202.4460 3.732971
202.9281 4.118652
203.4103 2.471649
203.8924 0.1223140
204.3745 2.269775
204.8566 4.565186
205.3387 6.843231
205.8208 9.077911
206.3030 10.95911
206.7851 13.77618
207.2672 19.00824
207.7493 24.27972
208.2314 27.63623
208.7135 28.68442
209.1957 28.87122
209.6778 30.73553
210.1599 35.77490
210.6420 39.59406
211.1241 41.09045
211.6062 42.05231
212.0884 44.02603
212.5705 47.39438
213.0526 51.22488
213.5347 53.82983
214.0168 54.09918
214.4989 54.66525
214.9811 55.96503
215.4632 57.30768
215.9453 57.98422
216.4274 57.79071
216.9095 57.20438
217.3916 57.11078
217.8737 58.28821
218.3559 58.68301
218.8380 57.91745
219.3201 56.49594
219.8022 54.77823
220.2843 52.86835
220.7664 51.06870
221.2486 50.01324
221.7307 50.09329
222.2128 49.80920
222.6949 49.01001
223.1770 47.71274
223.6591 45.74829
224.1413 42.96530
224.6234 40.03189
225.1055 38.27402
225.5876 37.86395
226.0697 37.03802
226.5518 34.85860
227.0340 32.06227
227.5161 30.05934
227.9982 29.40395
228.4803 29.05664
228.9624 27.50716
229.4445 24.84639
229.9267 22.33371
230.4088 20.77107
230.8909 19.71146
231.3730 18.01591
231.8551 15.20218
232.3372 12.25310
232.8194 10.01927
233.3015 8.438797
233.7836 7.231613
234.2657 6.521179
234.7478 6.116348
235.2299 5.316513
235.7121 3.801010
236.1942 2.232941
236.6763 1.011856
237.1584 0.1222380
237.6405 0.5009460
238.1227 0.8055420
238.6048 0.8442230
239.0869 0.9026490
239.5690 0.9819490
240.0511 1.100632
240.5332 1.282196
241.0154 1.509048
241.4975 1.714294
241.9796 1.814697
242.4617 1.842880
242.9438 2.051041
243.4259 2.802460
243.9081 3.260605
244.3902 2.835144
244.8723 1.901779
245.3544 1.219955
245.8365 1.422363
246.3186 2.336960
246.8008 2.564362
247.2829 1.255692
247.7650 0.2365110
248.2471 0.4107510
248.7292 1.147430
249.2113 1.364273
249.6935 0.2748110
250.1756 1.868790
250.6577 3.361862
251.1398 3.377686
251.6219 3.630463
252.1040 4.590744
252.5862 5.936249
253.0683 7.102615
253.5504 7.704849
254.0325 8.039124
254.5146 9.599442
254.9967 14.52083
255.4789 18.25974
255.9610 19.56500
256.4431 19.47310
256.9252 19.27708
257.4073 19.60968
257.8894 20.36157
258.3716 21.16753
258.8537 22.36928
259.3358 23.36261
259.8179 23.52672
260.3000 23.54851
260.7821 24.55228
261.2643 27.09471
261.7464 30.36772
262.2285 32.22539
262.7106 30.29227
263.1927 29.70763
263.6748 31.70413
264.1570 34.67691
264.6391 36.77667
265.1212 37.35773
265.6033 37.24469
266.0854 38.08891
266.5675 40.57184
267.0497 43.02037
267.5318 45.64888
268.0139 48.09729
268.4960 49.87015
268.9781 50.84607
269.4602 51.54628
269.9424 52.77100
270.4245 54.85237
270.9066 56.68591
271.3887 57.78812
271.8708 58.89235
272.3529 60.92868
272.8351 64.03706
273.3172 67.23286
273.7993 69.35571
274.2814 70.06116
274.7635 70.83154
275.2456 71.30717
275.7278 72.05341
276.2099 73.92352
276.6920 76.91241
277.1741 79.67307
277.6562 80.92821
278.1383 80.50360
278.6205 80.07320
279.1026 79.68869
279.5847 79.25833
280.0668 78.75902
280.5489 78.17261
281.0310 77.38603
281.5132 76.23357
281.9953 74.76340
282.4774 73.55893
282.9595 73.54520
283.4416 73.01917
283.9237 70.55121
284.4059 66.40213
284.8880 62.11156
285.3701 58.48854
285.8522 55.49068
286.3343 52.76082
286.8164 50.52168
287.2986 48.26080
287.7807 45.44151
288.2628 42.26822
288.7449 39.68080
289.2270 38.25659
289.7091 37.48633
290.1913 36.18919
290.6734 34.18791
291.1555 32.21593
291.6376 30.65448
292.1197 29.41133
292.6018 28.15445
293.0840 26.71080
293.5661 25.36986
294.0482 24.60841
294.5303 24.44980
295.0124 24.34714
295.4945 24.06149
295.9767 23.69676
296.4588 23.53656
296.9409 23.74403
297.4230 23.87427
297.9051 23.32938
298.3872 22.20993
298.8694 21.00171
299.3515 19.81543
299.8336 18.65599
300.3157 17.47974
300.7978 16.23375
301.2799 15.08302
301.7621 14.46332
302.2442 14.15997
302.7263 13.38687
303.2084 11.60889
303.6905 9.396057
304.1726 7.352554
304.6548 5.526901
305.1369 3.954620
305.6190 2.610947
306.1011 1.443634
306.5832 0.4301300
307.0653 0.4019780
307.5475 1.010986
308.0296 1.422882
308.5117 1.690399
308.9938 1.689697
309.4759 1.234695
309.9580 0.5396880
310.4402 5.8060002E-02
310.9223 0.5648500
311.4044 0.9259260
311.8865 0.9597700
312.3686 0.7547070
312.8507 0.8396000
313.3329 1.583603
313.8150 2.410652
314.2971 2.555595
314.7792 1.993187
315.2613 1.450897
315.7434 1.378830
316.2256 1.606812
316.7077 1.627800
317.1898 1.255173
317.6719 0.8720400
318.1540 0.9086150
318.6361 1.270981
319.1183 1.574593
319.6004 1.546005
320.0825 1.415588
320.5646 1.662979
321.0467 2.422241
321.5288 3.066238
322.0110 3.011848
322.4931 2.504181
322.9752 2.022614
323.4573 1.574615
323.9394 1.275101
324.4215 1.373436
324.9037 1.883881
325.3858 2.231522
325.8679 1.984138
326.3500 1.451256
326.8321 1.184845
327.3142 1.292519
327.7964 1.509796
328.2785 1.726036
328.7606 1.918266
329.2427 1.947136
329.7248 1.784439
330.2069 1.401047
330.6891 0.6683350
331.1712 0.4783020
331.6533 1.370323
332.1354 1.555405
332.6175 1.248550
333.0996 1.006996
333.5818 1.001007
334.0639 0.9113160
334.5460 0.2500310
335.0281 0.8577650
335.5102 1.801270
335.9923 2.302917
336.4745 2.585228
336.9566 2.971649
337.4387 3.500740
337.9208 3.967995
338.4029 4.131973
338.8850 4.115219
339.3671 4.306305
339.8492 4.889977
340.3314 5.579185
340.8135 6.083076
341.2956 6.434967
341.7777 7.006279
342.2598 8.162575
342.7419 9.506744
343.2241 10.15855
343.7062 9.882904
344.1883 9.516258
344.6704 9.261131
345.1525 9.210976
345.6346 9.719856
346.1168 11.03062
346.5989 12.61461
347.0810 13.68602
347.5631 14.27666
348.0452 14.64555
348.5273 14.67027
349.0095 14.59103
349.4916 14.71260
349.9737 15.06417
350.4558 15.58203
350.9379 16.26019
351.4200 17.09810
351.9022 17.91434
352.3843 18.80983
352.8664 19.68507
353.3485 20.37829
353.8306 20.84925
354.3127 21.24600
354.7949 21.74878
355.2770 22.28719
355.7591 22.35374
356.2412 21.30270
356.7233 20.57884
357.2054 21.05735
357.6876 22.17883
358.1697 22.79710
358.6518 22.43987
359.1339 21.64773
359.6160 21.39474
360.0981 22.03718
360.5803 22.19094
361.0624 21.07654
361.5445 19.73127
362.0266 19.27393
362.5087 19.85282
362.9908 20.79536
363.4730 21.45081
363.9551 21.78745
364.4372 21.87154
364.9193 21.39783
365.4014 20.96273
365.8835 20.91231
366.3657 21.19730
366.8478 21.60980
367.3299 22.04324
367.8120 22.51865
368.2941 23.07360
368.7762 23.16955
369.2584 23.94908
369.7405 26.37939
370.2226 29.31432
370.7047 31.20981
371.1868 31.54490
371.6689 31.09657
372.1511 31.22247
372.6332 32.20498
373.1153 33.21098
373.5974 34.19387
374.0795 35.26898
374.5616 36.59444
375.0438 38.10883
375.5259 39.57038
376.0080 40.74218
376.4901 41.61306
376.9722 42.56040
377.4543 43.48492
377.9365 44.56125
378.4186 46.10063
378.9007 47.81890
379.3828 49.13640
379.8649 49.68974
380.3470 49.78156
380.8292 50.44603
381.3113 52.18478
381.7934 53.72853
382.2755 55.18747
382.7576 56.30882
383.2397 56.75764
383.7219 56.49257
384.2040 55.87294
384.6861 55.50488
385.1682 55.65903
385.6503 54.97760
386.1324 52.64633
386.6146 50.15768
387.0967 47.96626
387.5788 46.11229
388.0609 44.55649
388.5430 43.42100
389.0251 42.48298
389.5073 40.78316
389.9894 37.94404
390.4715 35.13033
390.9536 32.78506
391.4357 30.60458
391.9178 28.17545
392.4000 25.35353
392.8821 22.63565
393.3642 20.81699
393.8463 20.02440
394.3284 18.89794
394.8105 16.71567
395.2927 14.47868
395.7748 12.99934
396.2569 12.22751
396.7390 11.38187
397.2211 9.682495
397.7032 7.467804
398.1854 5.990036
398.6675 5.444710
399.1496 5.292618
399.6317 5.608971
400.1138 6.022530
400.5959 5.761612
401.0781 4.119690
401.5602 2.297165
402.0423 1.684593
402.5244 2.229454
403.0065 2.905083
403.4886 3.497055
403.9708 3.835899
404.4529 3.676620
404.9350 2.961876
405.4171 2.102615
405.8992 1.076782
406.3813 7.6339997E-02
406.8635 0.5061720
407.3456 0.5687480
407.8277 0.4215010
408.3098 0.2554170
408.7919 9.5329002E-02
409.2740 0.2562710
409.7562 1.307556
410.2383 2.223923
410.7204 2.029312
411.2025 0.9940720
411.6846 0.3212280
412.1667 0.7145770
412.6489 1.817055
413.1310 2.488632
413.6131 2.612495
414.0952 2.579468
414.5773 2.542946
415.0594 2.342575
415.5416 1.619148
416.0237 0.3440700
416.5058 0.8811950
416.9879 1.287567
417.4700 0.6234210
417.9521 0.4040910
418.4343 0.9618840
418.9164 1.561569
419.3985 1.566757
419.8806 1.347931
420.3627 1.893257
420.8448 3.871674
421.3270 6.755989
421.8091 8.495300
422.2912 7.995598
422.7733 7.883492
423.2554 8.396553
423.7375 9.344368
424.2197 10.74441
424.7018 12.50658
425.1839 14.21098
425.6660 15.34843
426.1481 15.85532
426.6302 16.24358
427.1124 16.08898
427.5945 16.25716
428.0766 17.32612
428.5587 18.91122
429.0408 20.26567
429.5229 20.93143
430.0051 21.21759
430.4872 21.88055
430.9693 23.07768
431.4514 24.11043
431.9335 24.39526
432.4156 24.65708
432.8978 25.59097
433.3799 27.27731
433.8620 28.90571
434.3441 29.64652
434.8262 29.73962
435.3083 30.33392
435.7905 31.77607
436.2726 33.21795
436.7547 33.90106
437.2368 34.10179
437.7189 34.42595
438.2010 35.26579
438.6832 36.07281
439.1653 36.39793
439.6474 36.24664
440.1295 35.58874
440.6116 34.25565
441.0938 32.59247
441.5759 31.29156
442.0580 30.43834
442.5401 29.47990
443.0222 28.09324
443.5043 26.61173
443.9865 25.40257
444.4686 24.52354
444.9507 23.85066
445.4328 23.26093
445.9149 22.76564
446.3970 22.65401
446.8792 22.76040
447.3613 23.36268
447.8434 24.87680
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