#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:42:50 +0300 (Thu, 26 Apr 2018) $
#$Revision: 522 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000074.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_1000074
loop_
_publ_author_name
'Sugimoto, K.'
'Dinnebier, R. E.'
'Schlecht, T.'
_publ_section_title
;
 Crystal structure of dehydrated chlorartinite by X-ray powder diffraction
 Note: this is a dehydrated chlorartinite
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              64
_journal_page_last               67
_journal_paper_doi               10.1154/1.2436546
_journal_volume                  22
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H5 Cl Mg2 O6'
_chemical_name_mineral           Chlorartinite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   22.6791
_cell_length_b                   22.6791
_cell_length_c                   7.22336
_cell_volume                     3217.522
_exptl_crystal_density_diffrn    1.831
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Mg2 C O6 Cl H5'
_cod_database_code               9014993
_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            R060878.rod
_rod_data_source.block           3500000
_rod_database.code               1000074
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 9014993 COD http://www.crystallography.net/cod/9014993.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
109.0379 0.0000000E+00
109.5200 0.4946900
110.0021 0.8974990
110.4842 0.3244930
110.9664 3.1966999E-02
111.4485 0.2982860
111.9306 0.6266400
112.4127 0.7142410
112.8948 0.6320040
113.3769 0.5957110
113.8591 0.6405410
114.3412 0.9793930
114.8233 1.251900
115.3054 1.468582
115.7875 1.607727
116.2696 1.531380
116.7517 1.137779
117.2339 0.5904540
117.7160 0.4847720
118.1981 0.9997180
118.6802 1.428345
119.1623 1.494373
119.6444 1.358913
120.1266 1.378201
120.6087 1.761974
121.0908 2.282940
121.5729 2.541809
122.0550 2.474533
122.5371 2.243378
123.0193 1.964874
123.5014 1.625519
123.9835 1.420715
124.4656 1.634125
124.9477 1.967102
125.4298 2.159821
125.9120 2.086197
126.3941 1.872456
126.8762 1.854824
127.3583 2.088409
127.8404 2.367939
128.3225 2.801014
128.8047 3.331329
129.2868 3.740723
129.7689 3.867512
130.2510 3.847000
130.7331 3.639584
131.2152 3.246098
131.6974 2.957958
132.1795 2.854591
132.6616 2.907619
133.1437 2.957394
133.6258 2.824692
134.1079 2.485756
134.5901 2.303539
135.0722 2.388596
135.5543 2.503666
136.0364 2.524567
136.5185 2.436401
137.0006 2.294205
137.4828 2.173592
137.9649 2.086250
138.4470 1.964417
138.9291 1.757706
139.4112 1.530983
139.8933 1.369038
140.3755 1.301128
140.8576 1.260597
141.3397 1.153473
141.8218 0.9862210
142.3039 0.8350980
142.7860 0.7473830
143.2681 0.7047620
143.7503 0.6325650
144.2324 0.4781840
144.7145 0.3337630
145.1966 0.2968980
145.6787 0.3672560
146.1608 0.4303320
146.6430 0.3771020
147.1251 0.1943360
147.6072 1.8269001E-02
148.0893 0.1571310
148.5714 0.2999920
149.0535 0.3727990
149.5357 0.3708080
150.0178 0.3476070
150.4999 0.4109150
150.9820 0.7001460
151.4641 0.7562370
151.9462 0.3743400
152.4284 0.1167370
152.9105 0.4491200
153.3926 0.5236130
153.8747 0.4465370
154.3568 0.4848820
154.8389 0.8442800
155.3211 1.074322
155.8032 1.004662
156.2853 0.8386310
156.7674 0.8358310
157.2495 1.132076
157.7316 1.649075
158.2138 2.057819
158.6959 2.361279
159.1780 2.574291
159.6601 2.629738
160.1422 2.590599
160.6243 2.598576
161.1065 2.738705
161.5886 2.990711
162.0707 3.236229
162.5528 3.449764
163.0349 3.679920
163.5170 3.960297
163.9991 4.287472
164.4813 4.628284
164.9634 4.979511
165.4455 5.325493
165.9276 5.632908
166.4097 5.875828
166.8918 6.204578
167.3740 6.520626
167.8561 6.799713
168.3382 7.181736
168.8203 7.855003
169.3024 8.663784
169.7845 9.394833
170.2667 9.906948
170.7488 10.32692
171.2309 10.96185
171.7130 11.91447
172.1951 12.90976
172.6772 13.83692
173.1594 14.73303
173.6415 15.64547
174.1236 16.57940
174.6057 17.55013
175.0878 18.65826
175.5699 20.06382
176.0521 21.44907
176.5342 22.63687
177.0163 23.74303
177.4984 24.98097
177.9805 26.54351
178.4626 28.43937
178.9448 30.10373
179.4269 31.43591
179.9090 32.63878
180.3911 33.81516
180.8732 34.91589
181.3553 35.80938
181.8375 36.39401
182.3196 36.66848
182.8017 36.58388
183.2838 36.35973
183.7659 35.68727
184.2480 34.30005
184.7301 32.26208
185.2123 29.88875
185.6944 27.41505
186.1765 24.81247
186.6586 22.51441
187.1407 20.69560
187.6228 19.05843
188.1050 17.34095
188.5871 15.53247
189.0692 13.86809
189.5513 12.61792
190.0334 11.78748
190.5155 11.01846
190.9977 10.14621
191.4798 9.381926
191.9619 9.020981
192.4440 9.145935
192.9261 9.416096
193.4082 9.508698
193.8904 9.477859
194.3725 9.484531
194.8546 9.609524
195.3367 9.799206
195.8188 9.948563
196.3009 10.04187
196.7831 10.10797
197.2652 10.13828
197.7473 10.15496
198.2294 10.22352
198.7115 10.37957
199.1936 10.61467
199.6758 10.89864
200.1579 11.25069
200.6400 11.62907
201.1221 12.01744
201.6042 12.41011
202.0863 12.79243
202.5685 13.17968
203.0506 13.56892
203.5327 13.84376
204.0148 13.86550
204.4969 13.90409
204.9790 14.13474
205.4612 14.47089
205.9433 14.69405
206.4254 14.58411
206.9075 14.12144
207.3896 13.86591
207.8717 14.12172
208.3539 14.29807
208.8360 14.18076
209.3181 13.82523
209.8002 13.40480
210.2823 13.04473
210.7644 12.72876
211.2466 12.40818
211.7287 11.99617
212.2108 11.65745
212.6929 11.55297
213.1750 11.61059
213.6571 11.60007
214.1393 11.27703
214.6214 10.56216
215.1035 10.02499
215.5856 9.739367
216.0677 9.521292
216.5498 9.246872
217.0320 8.940462
217.5141 8.760691
217.9962 8.869528
218.4783 9.300964
218.9604 9.388412
219.4425 8.930668
219.9247 8.362320
220.4068 7.919167
220.8889 7.607342
221.3710 7.333576
221.8531 7.028891
222.3352 6.697678
222.8174 6.383701
223.2995 6.134617
223.7816 5.867805
224.2637 5.525879
224.7458 5.104336
225.2279 4.617289
225.7100 4.001734
226.1922 3.310831
226.6743 2.871347
227.1564 2.928543
227.6385 3.106577
228.1206 3.038204
228.6027 2.699608
229.0849 2.350853
229.5670 2.172644
230.0491 2.136850
230.5312 2.158375
231.0133 2.268305
231.4954 2.405033
231.9776 2.534039
232.4597 2.670588
232.9418 2.694096
233.4239 2.388538
233.9060 1.940702
234.3881 1.639803
234.8703 1.602190
235.3524 1.706341
235.8345 1.795389
236.3166 1.864212
236.7987 1.937389
237.2808 2.001778
237.7630 2.085793
238.2451 2.241547
238.7272 2.523687
239.2093 2.827425
239.6914 2.961451
240.1735 2.865362
240.6557 2.794657
241.1378 2.831409
241.6199 2.947470
242.1020 3.138554
242.5841 3.415409
243.0662 3.725470
243.5484 3.961273
244.0305 4.067734
244.5126 4.254559
244.9947 4.662992
245.4768 5.125147
245.9589 5.500206
246.4410 5.740572
246.9232 5.897165
247.4053 6.069620
247.8874 6.305197
248.3695 6.433226
248.8516 6.372484
249.3337 6.238201
249.8159 6.109734
250.2980 6.011633
250.7801 5.928221
251.2622 5.857586
251.7443 5.894817
252.2264 5.714518
252.7086 5.130400
253.1907 4.459620
253.6728 3.930588
254.1549 3.597895
254.6370 3.345625
255.1191 2.984728
255.6013 2.433748
256.0834 1.953291
256.5655 1.500055
257.0476 1.136383
257.5297 0.9273050
258.0118 0.8724380
258.4940 0.8940070
258.9761 0.8952850
259.4582 0.8887480
259.9403 0.8233800
260.4224 0.6070460
260.9045 0.4137230
261.3867 0.4013310
261.8688 0.5548880
262.3509 0.6982650
262.8330 0.6138970
263.3151 0.2042810
263.7972 7.8006998E-02
264.2794 0.2173560
264.7615 0.2704410
265.2436 0.2278670
265.7257 0.1148260
266.2078 2.1309999E-03
266.6899 3.7661001E-02
267.1721 1.1732000E-02
267.6542 2.9527999E-02
268.1363 9.2979996E-03
268.6184 5.0269999E-02
269.1005 8.4604003E-02
269.5826 0.1016410
270.0648 7.0529997E-02
270.5469 4.7644001E-02
271.0290 0.2580760
271.5111 0.3569600
271.9932 0.2945000
272.4753 0.1959380
272.9575 6.1129000E-02
273.4396 7.3674999E-02
273.9217 0.1097490
274.4038 3.8662001E-02
274.8859 0.3438820
275.3680 0.4486050
275.8501 0.1641310
276.3322 7.0519999E-02
276.8144 5.3320002E-02
277.2965 0.1271800
277.7786 0.2672290
278.2607 0.2563800
278.7428 0.1244510
279.2249 2.2181001E-02
279.7071 0.2688100
280.1892 0.4365310
280.6713 0.4359170
281.1534 0.3318610
281.6355 0.2339310
282.1176 0.1874080
282.5998 0.1796970
283.0819 0.1817840
283.5640 0.1807440
284.0461 0.2061480
284.5282 0.2643130
285.0103 0.3536640
285.4925 0.4922770
285.9746 0.6945490
286.4567 0.8854970
286.9388 0.9161830
287.4209 0.7240530
287.9030 0.6040100
288.3852 0.6649610
288.8673 0.7974940
289.3494 0.8668830
289.8315 0.8412990
290.3136 0.7817690
290.7957 0.7664300
291.2779 0.8048320
291.7600 0.7973940
292.2421 0.6875910
292.7242 0.5569360
293.2063 0.4888420
293.6884 0.4932290
294.1706 0.5190430
294.6527 0.5162350
295.1348 0.4854810
295.6169 0.4881670
296.0990 0.5672440
296.5811 0.6530830
297.0633 0.6975620
297.5454 0.6972220
298.0275 0.6537390
298.5096 0.5430030
298.9917 0.3901860
299.4738 0.3321180
299.9560 0.4540710
300.4381 0.5911890
300.9202 0.6248050
301.4023 0.5809730
301.8844 0.5951920
302.3665 0.7732430
302.8487 1.030615
303.3308 1.114139
303.8129 0.9386770
304.2950 0.7488070
304.7771 0.6346000
305.2592 0.5875580
305.7414 0.5875360
306.2235 0.6292770
306.7056 0.7113100
307.1877 0.8469210
307.6698 1.057552
308.1519 1.230657
308.6341 1.328026
309.1162 1.364802
309.5983 1.340049
310.0804 1.236184
310.5625 1.147675
311.0446 1.240121
311.5268 1.521303
312.0089 1.726844
312.4910 1.767797
312.9731 1.723369
313.4552 1.665777
313.9373 1.602826
314.4195 1.572103
314.9016 1.634166
315.3837 1.779703
315.8658 1.856168
316.3479 1.839955
316.8300 1.758611
317.3121 1.593360
317.7943 1.354878
318.2764 1.165824
318.7585 1.123501
319.2406 1.201683
319.7227 1.239811
320.2048 1.248563
320.6870 1.208237
321.1691 1.048990
321.6512 0.8128990
322.1333 0.6661760
322.6154 0.7172170
323.0975 0.8895320
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324.0618 0.9625280
324.5439 0.9153030
325.0260 0.8676470
325.5081 0.8030900
325.9902 0.6697400
326.4724 0.4322190
326.9545 0.1845660
327.4366 9.0072997E-02
327.9187 0.1684930
328.4008 0.2381940
328.8829 0.2609690
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330.3293 0.2372610
330.8114 0.2047790
331.2935 8.2652003E-02
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332.2578 0.2455360
332.7399 0.1325370
333.2220 1.5510000E-02
333.7041 8.5170001E-02
334.1862 6.7578003E-02
334.6683 1.4040000E-02
335.1505 6.0693000E-02
335.6326 0.1417370
336.1147 0.1220660
336.5968 0.1027850
337.0789 0.3208240
337.5610 0.4220230
338.0432 0.4422200
338.5253 0.4804010
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339.9716 0.6985610
340.4537 0.3690430
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341.9001 0.4931940
342.3822 0.6205370
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349.6140 0.7801890
350.0961 0.7670160
350.5782 0.6489110
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357.8099 1.015137
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369.8628 1.027585
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370.8271 0.9248910
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373.2376 1.099970
373.7198 1.204049
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375.6482 1.689203
376.1303 1.775643
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377.5767 1.008905
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381.9157 1.282879
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382.8800 1.407008
383.3621 1.538200
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384.3263 1.717030
384.8084 1.791206
385.2906 1.907138
385.7727 2.023600
386.2548 2.012849
386.7369 1.825798
387.2190 1.689260
387.7011 1.803308
388.1833 2.031013
388.6654 2.174376
389.1475 2.157725
389.6296 2.114308
390.1117 2.168293
390.5938 2.320560
391.0760 2.499967
391.5581 2.710805
392.0402 2.892481
392.5223 2.961452
393.0044 2.914950
393.4865 2.827489
393.9687 2.690732
394.4508 2.551550
394.9329 2.477118
395.4150 2.477568
395.8971 2.531026
396.3792 2.652645
396.8614 2.827502
397.3435 2.904804
397.8256 2.853306
398.3077 2.721942
398.7898 2.490305
399.2719 2.196313
399.7540 1.972077
400.2361 1.897469
400.7183 1.911963
401.2004 1.839647
401.6825 1.621636
402.1646 1.436212
402.6467 1.291925
403.1288 1.205890
403.6110 1.251427
404.0931 1.431104
404.5752 1.578672
405.0573 1.481970
405.5394 1.069845
406.0215 0.7700120
406.5037 0.6198750
406.9858 0.5304240
407.4679 0.4681710
407.9500 0.4299260
408.4321 0.4257250
408.9142 0.4655900
409.3964 0.5348880
409.8785 0.5662240
410.3606 0.5349770
410.8427 0.4938900
411.3248 0.4179920
411.8069 0.3498940
412.2891 0.3493010
412.7712 0.4236710
413.2533 0.5036290
413.7354 0.4858240
414.2175 0.3339280
414.6996 0.2280880
415.1818 0.1656480
415.6639 0.1546960
416.1460 0.2552300
416.6281 0.4132630
417.1102 0.5013600
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