#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:26:32 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1093 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000531.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_1000531
loop_
_publ_author_name
'Brosset, C.'
_publ_section_title
;
 Die kristallstruktur des chioliths
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              201
_journal_page_last               208
_journal_volume                  238
_journal_year                    1938
_chemical_compound_source        R050412
_chemical_formula_sum            'Al3 F14 Na5'
_chemical_name_mineral           Chiolite
_space_group_IT_number           128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.00
_cell_length_b                   7.00
_cell_length_c                   10.39
_cell_volume                     509.110
_exptl_crystal_density_diffrn    3.013
_cod_original_formula_sum        'Na5 Al3 F14'
_cod_database_code               9009786
_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            R050412.rod
_rod_data_source.block           3500000
_rod_database.code               1000531
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 9009786 COD http://www.crystallography.net/cod/9009786.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
97.34460 0.0000000E+00
97.82672 0.2641530
98.30884 6.4831004E-02
98.79095 0.2092320
99.27307 0.8113290
99.75519 1.301968
100.2373 1.518105
100.7194 1.587311
101.2015 1.985668
101.6837 2.823742
102.1658 3.827484
102.6479 4.765091
103.1300 5.610855
103.6121 6.577244
104.0942 7.843006
104.5764 9.326065
105.0585 10.94308
105.5406 12.78858
106.0227 14.75961
106.5048 16.54040
106.9869 18.12218
107.4691 19.46037
107.9512 20.56842
108.4333 21.46353
108.9154 22.18740
109.3975 22.75478
109.8796 23.12568
110.3618 23.47769
110.8439 23.94283
111.3260 24.27301
111.8081 24.31902
112.2902 24.07505
112.7723 23.64821
113.2544 23.18723
113.7366 22.69737
114.2187 22.16044
114.7008 21.60055
115.1829 21.01192
115.6650 20.39907
116.1471 19.74892
116.6293 19.02276
117.1114 18.09721
117.5935 16.80601
118.0756 15.64664
118.5577 14.83240
119.0398 14.23510
119.5220 13.55213
120.0041 12.59787
120.4862 11.65870
120.9683 11.11573
121.4504 10.56319
121.9325 10.13705
122.4147 10.02262
122.8968 10.03735
123.3789 9.943027
123.8610 9.735401
124.3431 9.451910
124.8252 8.989010
125.3074 8.271824
125.7895 7.375387
126.2716 6.591316
126.7537 6.012129
127.2358 5.576656
127.7179 5.342875
128.2001 5.234234
128.6822 5.106527
129.1643 4.856285
129.6464 4.495583
130.1285 4.205053
130.6107 4.079062
131.0928 3.923990
131.5749 3.718891
132.0570 3.546356
132.5391 3.283726
133.0212 2.930307
133.5034 2.534872
133.9855 2.269232
134.4676 2.248613
134.9497 2.262365
135.4318 2.185900
135.9139 2.021355
136.3960 1.850657
136.8782 1.756247
137.3603 1.750916
137.8424 1.702108
138.3245 1.570000
138.8066 1.413977
139.2887 1.326359
139.7709 1.351202
140.2530 1.369843
140.7351 1.210024
141.2172 0.8973480
141.6993 0.5767380
142.1814 0.3268110
142.6636 0.1248590
143.1457 0.1446670
143.6278 0.6485710
144.1099 1.044159
144.5920 0.9832000
145.0741 0.4736880
145.5563 4.2915002E-02
146.0384 0.1206340
146.5205 0.3057630
147.0026 0.6101800
147.4847 0.5936470
147.9668 0.4789240
148.4490 0.3476680
148.9311 0.2260250
149.4132 0.1382480
149.8953 0.1336590
150.3774 0.2777840
150.8595 0.3695070
151.3417 0.3822770
151.8238 0.3544810
152.3059 0.3253100
152.7880 0.3077490
153.2701 0.2744940
153.7522 0.1540950
154.2344 0.2593120
154.7165 0.5225660
155.1986 0.5650460
155.6807 0.4820380
156.1628 0.5238440
156.6449 0.8325270
157.1271 1.303780
157.6092 1.511587
158.0913 1.298197
158.5734 1.057590
159.0555 0.8646510
159.5376 0.7231670
160.0198 0.6508480
160.5019 0.6791820
160.9840 0.7743230
161.4661 0.8057120
161.9482 0.7193580
162.4303 0.6282080
162.9125 0.6375450
163.3946 0.7415140
163.8767 0.7967490
164.3588 0.7069240
164.8409 0.5118270
165.3230 0.2644960
165.8052 0.1069770
166.2873 0.4530090
166.7694 0.5557400
167.2515 0.3705370
167.7336 9.1177002E-02
168.2157 0.2540280
168.6979 0.6151960
169.1800 0.9471070
169.6621 1.262081
170.1442 1.512363
170.6263 1.522675
171.1084 1.037146
171.5906 0.7269040
172.0727 0.8371100
172.5548 1.219598
173.0369 1.694819
173.5190 2.191236
174.0011 2.680536
174.4833 2.920311
174.9654 2.602831
175.4475 2.321087
175.9296 2.146067
176.4117 2.099971
176.8938 2.211467
177.3760 2.524505
177.8581 3.048145
178.3402 3.406751
178.8223 3.477921
179.3044 3.524356
179.7865 3.650764
180.2687 3.836151
180.7508 3.988810
181.2329 4.019131
181.7150 3.910114
182.1971 3.911611
182.6792 4.020156
183.1614 4.220691
183.6435 4.546291
184.1256 4.982191
184.6077 5.435709
185.0898 5.845994
185.5719 6.201506
186.0541 6.436285
186.5362 6.364960
187.0183 6.277303
187.5004 6.494390
187.9825 7.064539
188.4646 7.666109
188.9468 7.914675
189.4289 7.916580
189.9110 8.134608
190.3931 8.893195
190.8752 9.862874
191.3573 10.50022
191.8395 10.67199
192.3216 10.78120
192.8037 11.11273
193.2858 11.61254
193.7679 12.18868
194.2500 12.89295
194.7322 13.65105
195.2143 14.21215
195.6964 14.45426
196.1785 14.66928
196.6606 15.00002
197.1427 15.42785
197.6249 15.90894
198.1070 16.40546
198.5891 16.92266
199.0712 17.54240
199.5533 18.46446
200.0354 19.25916
200.5176 19.74310
200.9997 19.96125
201.4818 20.03230
201.9639 20.06773
202.4460 20.09918
202.9281 20.05186
203.4103 19.79807
203.8924 19.54656
204.3745 19.44186
204.8566 19.39268
205.3387 19.15781
205.8208 18.46645
206.3030 17.22803
206.7851 16.37661
207.2672 16.27445
207.7493 16.16691
208.2314 15.72599
208.7135 14.99529
209.1957 14.21622
209.6778 13.60922
210.1599 13.20817
210.6420 12.72223
211.1241 12.00916
211.6062 11.35969
212.0884 10.94818
212.5705 10.75128
213.0526 10.64822
213.5347 10.55518
214.0168 10.47923
214.4989 10.32627
214.9811 9.956152
215.4632 9.603219
215.9453 9.438286
216.4274 9.469404
216.9095 9.585169
217.3916 9.710854
217.8737 9.845661
218.3559 9.941313
218.8380 9.929800
219.3201 9.914783
219.8022 10.07202
220.2843 10.41101
220.7664 10.58759
221.2486 10.20897
221.7307 9.418918
222.2128 8.816994
222.6949 8.611352
223.1770 8.531963
223.6591 8.277103
224.1413 7.823375
224.6234 7.332251
225.1055 6.911509
225.5876 6.552273
226.0697 6.234293
226.5518 5.960361
227.0340 5.705208
227.5161 5.403672
227.9982 5.011377
228.4803 4.725824
228.9624 4.778433
229.4445 4.977539
229.9267 5.082325
230.4088 4.990998
230.8909 4.770987
231.3730 4.495842
231.8551 4.065304
232.3372 3.846552
232.8194 4.149076
233.3015 4.675024
233.7836 5.089588
234.2657 5.250201
234.7478 5.231339
235.2299 5.179626
235.7121 5.046442
236.1942 4.985529
236.6763 5.054523
237.1584 5.198888
237.6405 5.376728
238.1227 5.577951
238.6048 5.777069
239.0869 5.898714
239.5690 5.870528
240.0511 5.892111
240.5332 6.025185
241.0154 6.208263
241.4975 6.387108
241.9796 6.537670
242.4617 6.660137
242.9438 6.749872
243.4259 6.770300
243.9081 6.816289
244.3902 6.956949
244.8723 7.097832
245.3544 7.133798
245.8365 7.026281
246.3186 6.841062
246.8008 6.733061
247.2829 6.830139
247.7650 6.815078
248.2471 6.591022
248.7292 6.299557
249.2113 6.091455
249.6935 6.013195
250.1756 5.970400
250.6577 5.772820
251.1398 5.237178
251.6219 4.808642
252.1040 4.544176
252.5862 4.353608
253.0683 4.167446
253.5504 3.964010
254.0325 3.749811
254.5146 3.535940
254.9967 3.330110
255.4789 3.110243
255.9610 2.869337
256.4431 2.620164
256.9252 2.345852
257.4073 2.048806
257.8894 1.799248
258.3716 1.703596
258.8537 1.859868
259.3358 1.916329
259.8179 1.821562
260.3000 1.658692
260.7821 1.488656
261.2643 1.323820
261.7464 1.160005
262.2285 0.9858830
262.7106 0.7920940
263.1927 0.6496330
263.6748 0.6036390
264.1570 0.5815840
264.6391 0.5162700
265.1212 0.4024190
265.6033 0.2888670
266.0854 0.2155500
266.5675 0.1880420
267.0497 0.2031310
267.5318 0.3123310
268.0139 0.4283400
268.4960 0.4967570
268.9781 0.5117760
269.4602 0.4593130
269.9424 0.3029240
270.4245 5.8920000E-02
270.9066 0.1339980
271.3887 0.2998700
271.8708 0.3935270
272.3529 0.3285680
272.8351 0.1208640
273.3172 4.4918001E-02
273.7993 4.9031001E-02
274.2814 7.7281997E-02
274.7635 0.1992440
275.2456 0.3387840
275.7278 0.4459090
276.2099 0.4793810
276.6920 0.4441650
277.1741 0.3699880
277.6562 0.2227880
278.1383 8.1042998E-02
278.6205 0.1066050
279.1026 0.3946210
279.5847 0.6453080
280.0668 0.6288360
280.5489 0.3837090
281.0310 0.1305840
281.5132 7.9515003E-02
281.9953 0.2322000
282.4774 0.2960570
282.9595 0.2490530
283.4416 0.2417620
283.9237 0.4601140
284.4059 0.8215180
284.8880 0.9445620
285.3701 0.6069810
285.8522 0.1791040
286.3343 7.2779998E-02
286.8164 0.2711870
287.2986 0.4811740
287.7807 0.5126420
288.2628 0.4287770
288.7449 0.4578470
289.2270 0.7031520
289.7091 0.9319930
290.1913 0.9156710
290.6734 0.7152340
291.1555 0.5445160
291.6376 0.5089270
292.1197 0.5729280
292.6018 0.6670800
293.0840 0.8115700
293.5661 0.9296980
294.0482 0.9258170
294.5303 0.8637750
295.0124 0.8649730
295.4945 1.009677
295.9767 1.227236
296.4588 1.401467
296.9409 1.535300
297.4230 1.615077
297.9051 1.520908
298.3872 1.402904
298.8694 1.469117
299.3515 1.844692
299.8336 2.311614
300.3157 2.558287
300.7978 2.543244
301.2799 2.567203
301.7621 2.817436
302.2442 3.122496
302.7263 3.310932
303.2084 3.333482
303.6905 3.352020
304.1726 3.550904
304.6548 3.937819
305.1369 4.314204
305.6190 4.635429
306.1011 4.927832
306.5832 5.214572
307.0653 5.496433
307.5475 5.753599
308.0296 5.936206
308.5117 6.055876
308.9938 6.261172
309.4759 6.589567
309.9580 6.994934
310.4402 7.468312
310.9223 7.989692
311.4044 8.489604
311.8865 8.903651
312.3686 9.252719
312.8507 9.637772
313.3329 10.07513
313.8150 10.52365
314.2971 11.00259
314.7792 11.47579
315.2613 11.87431
315.7434 12.14917
316.2256 12.34349
316.7077 12.57222
317.1898 12.88908
317.6719 13.09107
318.1540 13.05157
318.6361 12.86896
319.1183 12.64713
319.6004 12.43166
320.0825 12.14139
320.5646 11.62306
321.0467 10.83429
321.5288 10.08607
322.0110 9.514293
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322.9752 8.454177
323.4573 7.862751
323.9394 7.280478
324.4215 6.747782
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327.3142 4.714297
327.7964 4.508294
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328.7606 4.072306
329.2427 3.961998
329.7248 4.040099
330.2069 4.108589
330.6891 4.029829
331.1712 3.853772
331.6533 3.683515
332.1354 3.524708
332.6175 3.417319
333.0996 3.474701
333.5818 3.752865
334.0639 4.024208
334.5460 4.145480
335.0281 4.210018
335.5102 4.327118
335.9923 4.541920
336.4745 4.766674
336.9566 4.886717
337.4387 4.895706
337.9208 4.902984
338.4029 4.856304
338.8850 4.910341
339.3671 5.260187
339.8492 5.939600
340.3314 6.614188
340.8135 7.032157
341.2956 7.224977
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342.2598 7.327869
342.7419 7.380267
343.2241 7.705256
343.7062 8.261994
344.1883 8.857939
344.6704 9.349188
345.1525 9.776299
345.6346 10.27769
346.1168 10.87632
346.5989 11.50601
347.0810 12.08878
347.5631 12.68598
348.0452 13.39239
348.5273 14.24266
349.0095 15.15547
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349.9737 17.00385
350.4558 17.92213
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351.4200 19.61205
351.9022 20.64087
352.3843 21.94873
352.8664 23.15785
353.3485 23.96074
353.8306 24.44034
354.3127 24.93946
354.7949 25.64624
355.2770 26.31910
355.7591 26.66420
356.2412 26.67515
356.7233 26.31879
357.2054 25.45955
357.6876 24.29401
358.1697 23.12340
358.6518 21.99944
359.1339 20.82762
359.6160 19.47178
360.0981 17.96519
360.5803 16.57082
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362.0266 13.13257
362.5087 11.97769
362.9908 10.86676
363.4730 9.813383
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365.8835 6.245094
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367.8120 4.425337
368.2941 4.075881
368.7762 3.907153
369.2584 3.709978
369.7405 3.417354
370.2226 3.120161
370.7047 2.916547
371.1868 2.814572
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372.1511 2.657909
372.6332 2.543990
373.1153 2.438869
373.5974 2.332741
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376.4901 2.103055
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377.4543 2.116116
377.9365 2.128092
378.4186 2.141161
378.9007 2.161221
379.3828 2.182245
379.8649 2.206021
380.3470 2.266730
380.8292 2.421913
381.3113 2.733083
381.7934 2.953518
382.2755 3.038198
382.7576 3.084714
383.2397 3.153794
383.7219 3.237634
384.2040 3.280931
384.6861 3.229399
385.1682 3.094463
385.6503 3.062247
386.1324 3.312158
386.6146 3.467684
387.0967 3.439150
387.5788 3.286991
388.0609 3.059037
388.5430 2.777665
389.0251 2.507947
389.5073 2.409362
389.9894 2.662012
390.4715 2.699579
390.9536 2.335349
391.4357 1.900522
391.9178 1.592236
392.4000 1.432212
392.8821 1.332025
393.3642 1.206878
393.8463 1.054615
394.3284 0.9425100
394.8105 0.8807540
395.2927 0.8512820
395.7748 0.8935290
396.2569 0.9541630
396.7390 0.9378870
397.2211 0.7807560
397.7032 0.5550880
398.1854 0.4175250
398.6675 0.3746850
399.1496 0.4002400
399.6317 0.6654960
400.1138 0.8870720
400.5959 0.7696480
401.0781 0.2725150
401.5602 0.2325350
402.0423 0.3838110
402.5244 0.2105220
403.0065 1.5694000E-02
403.4886 0.2490320
403.9708 0.4017700
404.4529 0.2309800
404.9350 0.1502730
405.4171 0.4220270
405.8992 0.3737040
406.3813 0.1741170
406.8635 9.0732001E-02
407.3456 0.1350150
407.8277 0.1910750
408.3098 0.2168050
408.7919 0.2114560
409.2740 0.1752600
409.7562 0.1002310
410.2383 1.4988000E-02
410.7204 0.1438130
411.2025 0.3062940
411.6846 0.2024240
412.1667 0.3264500
412.6489 0.8780970
413.1310 0.8743300
413.6131 0.3359650
414.0952 8.3144002E-02
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