#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:29:04 +0300 (Thu, 26 Apr 2018) $
#$Revision: 484 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100009.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_2100009
loop_
_publ_author_name
'Akao, M.'
'Iwai, S.'
_publ_section_title
;
 The hydrogen bonding of artinite Note: anisotropic displacement
 parameters obtained from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3951
_journal_page_last               3953
_journal_paper_doi               10.1107/S0567740877012576
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        R060166
_chemical_formula_sum            'C0.5 H4 Mg O4'
_chemical_name_mineral           Artinite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.10
_cell_angle_gamma                90
_cell_length_a                   16.560
_cell_length_b                   3.153
_cell_length_c                   6.231
_cell_volume                     321.249
_exptl_crystal_density_diffrn    2.033
_cod_original_formula_sum        'Mg C.5 O4 H4'
_cod_database_code               9007623
_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            R060166.rod
_rod_data_source.block           3500000
_rod_database.code               2100009
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 9007623 COD http://www.crystallography.net/cod/9007623.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
149.8793 0.0000000E+00
150.3615 0.6541900
150.8436 1.272812
151.3257 1.577209
151.8078 1.083862
152.2899 0.3597410
152.7720 0.1199950
153.2542 0.1200870
153.7363 0.2328190
154.2184 0.9254610
154.7005 1.967911
155.1826 3.451538
155.6647 5.322403
156.1469 6.992004
156.6290 8.345993
157.1111 9.564178
157.5932 10.54852
158.0753 11.41818
158.5574 12.40178
159.0396 13.72003
159.5217 15.43593
160.0038 16.84863
160.4859 17.69475
160.9680 18.55571
161.4501 19.65068
161.9323 21.00298
162.4144 22.55452
162.8965 24.27249
163.3786 26.18214
163.8607 27.99368
164.3428 29.29965
164.8250 30.76978
165.3071 32.95120
165.7892 35.95769
166.2713 39.46716
166.7534 43.17769
167.2355 47.09886
167.7177 51.17433
168.1998 55.25560
168.6819 59.59999
169.1640 64.61050
169.6461 70.55230
170.1282 76.84883
170.6104 83.04090
171.0925 89.21609
171.5746 94.39648
172.0567 98.46507
172.5388 101.5334
173.0209 103.0130
173.5031 102.8198
173.9852 100.4688
174.4673 95.59268
174.9494 88.67686
175.4315 80.90994
175.9136 72.89779
176.3958 64.77792
176.8779 56.91992
177.3600 49.26294
177.8421 42.22781
178.3242 36.03481
178.8063 30.73618
179.2885 26.32383
179.7706 22.93282
180.2527 20.78461
180.7348 18.93379
181.2169 17.30669
181.6990 15.94993
182.1812 14.98782
182.6633 14.41157
183.1454 14.04153
183.6275 13.62994
184.1096 13.06515
184.5917 12.78593
185.0738 13.05205
185.5560 13.36313
186.0381 13.37584
186.5202 13.00632
187.0023 12.40572
187.4844 11.83625
187.9665 11.54967
188.4487 10.82540
188.9308 9.280563
189.4129 7.514130
189.8950 6.106300
190.3771 5.250916
190.8592 4.698387
191.3414 3.967712
191.8235 2.867287
192.3056 1.958237
192.7877 1.445801
193.2698 1.122040
193.7519 0.6760710
194.2341 2.6001001E-02
194.7162 0.8040470
195.1983 1.265404
195.6804 1.386185
196.1625 1.425018
196.6446 1.454742
197.1268 1.459518
197.6089 1.374855
198.0910 1.119415
198.5731 0.8639450
199.0552 0.9345250
199.5373 1.410187
200.0195 1.765533
200.5016 1.631950
200.9837 1.100220
201.4658 0.6434710
201.9479 0.4598390
202.4300 0.3445280
202.9122 7.9620004E-02
203.3943 0.3479690
203.8764 0.8542330
204.3585 1.421997
204.8406 2.052528
205.3227 2.595535
205.8048 3.062157
206.2870 3.375679
206.7691 3.372162
207.2512 3.043785
207.7333 3.095146
208.2154 3.670532
208.6975 4.896461
209.1797 5.890297
209.6618 6.383026
210.1439 6.679161
210.6260 6.868858
211.1081 6.998596
211.5902 7.134842
212.0724 7.386200
212.5545 7.841805
213.0366 8.136528
213.5187 8.206612
214.0008 8.145355
214.4829 7.866562
214.9651 7.415287
215.4472 7.068233
215.9293 7.299885
216.4114 8.578247
216.8935 9.468788
217.3756 9.808636
217.8578 9.946251
218.3399 10.06142
218.8220 10.21918
219.3041 10.43922
219.7862 10.75434
220.2683 11.19548
220.7505 11.69051
221.2326 12.29508
221.7147 12.91347
222.1968 13.49274
222.6789 14.01385
223.1610 14.45551
223.6432 14.77008
224.1253 14.80152
224.6074 15.04917
225.0895 15.73301
225.5716 16.50858
226.0537 17.04248
226.5358 17.26142
227.0180 17.35548
227.5001 17.58278
227.9822 17.98231
228.4643 18.40722
228.9464 18.79963
229.4285 19.23549
229.9107 19.79453
230.3928 20.49288
230.8749 21.29623
231.3570 22.18612
231.8391 23.17078
232.3212 24.14391
232.8034 25.11757
233.2855 26.05808
233.7676 26.90901
234.2497 27.65195
234.7318 28.35743
235.2139 29.06982
235.6961 29.79149
236.1782 30.62849
236.6603 31.68452
237.1424 32.84847
237.6245 33.96173
238.1066 35.00517
238.5888 35.99860
239.0709 37.10770
239.5530 38.23746
240.0351 38.98899
240.5172 38.98785
240.9993 38.56967
241.4815 38.39453
241.9636 38.58683
242.4457 38.79002
242.9278 38.75305
243.4099 38.54156
243.8920 38.25948
244.3742 37.90445
244.8563 37.51195
245.3384 37.17161
245.8205 36.90596
246.3026 36.64863
246.7847 36.23501
247.2668 35.40704
247.7490 35.35352
248.2311 35.07617
248.7132 34.58785
249.1953 33.27304
249.6774 32.99673
250.1595 32.28030
250.6417 31.53483
251.1238 31.37008
251.6059 30.10647
252.0880 29.88518
252.5701 29.18534
253.0522 28.65263
253.5344 27.68629
254.0165 27.06886
254.4986 26.87054
254.9807 26.68693
255.4628 26.09945
255.9449 24.88198
256.4271 23.37803
256.9092 22.36684
257.3913 22.01442
257.8734 21.82248
258.3555 21.95943
258.8376 22.11208
259.3198 21.85354
259.8019 20.99495
260.2840 19.92336
260.7661 19.50424
261.2482 20.13986
261.7303 20.69454
262.2125 21.17239
262.6946 21.45560
263.1767 21.33492
263.6588 20.77064
264.1409 20.06806
264.6230 19.79016
265.1052 20.22911
265.5873 20.52672
266.0694 20.54626
266.5515 20.51077
267.0336 20.59496
267.5157 20.82656
267.9979 21.09256
268.4800 21.21681
268.9621 21.09612
269.4442 21.05410
269.9263 21.13596
270.4084 21.24862
270.8906 21.29894
271.3727 21.29213
271.8548 21.33601
272.3369 21.57578
272.8190 22.09180
273.3011 22.53373
273.7833 22.96868
274.2654 23.30374
274.7475 23.43997
275.2296 23.40084
275.7117 23.31848
276.1938 23.33878
276.6760 23.51361
277.1581 23.46453
277.6402 23.07580
278.1223 22.62991
278.6044 22.19985
279.0865 21.81773
279.5686 21.55585
280.0508 21.51189
280.5329 21.69960
281.0150 21.45944
281.4971 20.36344
281.9792 19.36287
282.4613 18.90374
282.9435 18.83004
283.4256 18.73155
283.9077 18.34627
284.3898 17.69688
284.8719 17.01398
285.3540 16.38914
285.8362 15.64272
286.3183 14.56690
286.8004 13.33990
287.2825 12.30920
287.7646 11.66330
288.2467 11.29609
288.7289 10.82553
289.2110 10.25130
289.6931 9.599133
290.1752 8.723232
290.6573 7.815628
291.1394 7.187981
291.6216 6.968296
292.1037 6.973740
292.5858 6.818596
293.0679 6.351368
293.5500 6.017124
294.0321 6.024601
294.5143 6.122139
294.9964 5.993259
295.4785 5.551704
295.9606 5.006500
296.4427 4.658813
296.9248 4.601715
297.4070 4.471848
297.8891 4.131065
298.3712 3.804802
298.8533 3.759686
299.3354 4.011494
299.8175 4.257034
300.2997 4.176949
300.7818 3.649376
301.2639 3.285877
301.7460 3.256737
302.2281 3.306046
302.7102 3.162529
303.1924 2.863991
303.6745 2.654339
304.1566 2.755524
304.6387 3.147549
305.1208 3.313915
305.6029 3.076767
306.0851 2.814178
306.5672 2.711575
307.0493 2.741608
307.5314 2.792866
308.0135 2.798687
308.4956 2.781696
308.9778 2.842026
309.4599 3.011311
309.9420 3.202061
310.4241 3.414982
310.9062 3.628193
311.3883 3.805031
311.8705 3.935783
312.3526 4.004349
312.8347 3.947136
313.3168 3.682220
313.7989 3.503597
314.2810 3.501598
314.7632 3.606899
315.2453 3.726418
315.7274 3.834194
316.2095 3.969166
316.6916 4.206013
317.1737 4.588802
317.6559 4.872730
318.1380 4.937752
318.6201 4.955482
319.1022 5.115940
319.5843 5.435249
320.0664 5.744835
320.5485 5.894627
321.0306 5.699320
321.5128 5.938892
321.9949 6.082997
322.4770 6.136767
322.9591 5.829643
323.4412 5.988539
323.9233 5.960676
324.4055 5.925157
324.8876 6.149644
325.3697 5.603909
325.8518 5.369728
326.3339 5.153034
326.8160 4.885231
327.2982 4.584503
327.7803 4.277569
328.2624 3.966946
328.7445 3.682018
329.2266 3.520466
329.7087 3.619408
330.1909 3.580647
330.6730 3.247925
331.1551 2.766258
331.6372 2.275002
332.1193 1.812023
332.6014 1.466053
333.0836 1.399395
333.5657 1.771381
334.0478 1.945839
334.5299 1.811398
335.0120 1.532166
335.4941 1.174015
335.9763 0.7735020
336.4584 0.4545100
336.9405 0.3622470
337.4226 0.5256840
337.9047 0.5259970
338.3868 0.1734730
338.8690 0.1459310
339.3511 0.2129210
339.8332 7.3059000E-02
340.3153 0.1247140
340.7974 0.3072400
341.2795 0.4536250
341.7617 0.4105760
342.2438 7.3425002E-02
342.7259 0.4212990
343.2080 0.4795610
343.6901 0.3278960
344.1722 2.3166999E-02
344.6544 0.4180340
345.1365 0.8546680
345.6186 0.9900700
346.1007 0.6261600
346.5828 0.2264100
347.0649 0.3398210
347.5471 0.8613470
348.0292 1.128239
348.5113 1.111160
348.9934 0.9554210
349.4755 0.8270260
349.9576 0.7341380
350.4398 0.6350940
350.9219 0.4781720
351.4040 0.3422660
351.8861 0.3134570
352.3682 0.3695720
352.8503 0.4191130
353.3325 0.3925440
353.8146 0.2962530
354.2967 0.2172050
354.7788 5.7597999E-02
355.2609 5.8439998E-03
355.7430 0.2088360
356.2252 0.5400350
356.7073 0.7955320
357.1894 0.8817790
357.6715 1.122387
358.1536 0.4538230
358.6357 5.5080000E-03
359.1179 0.2365720
359.5999 0.3384170
360.0821 0.1422810
360.5642 0.1996880
361.0463 0.2388110
361.5284 0.8661770
362.0105 0.4093320
362.4926 0.9076610
362.9748 1.060268
363.4569 1.192291
363.9390 1.394691
364.4211 1.803276
364.9032 2.330887
365.3853 2.737804
365.8675 2.816509
366.3496 2.612793
366.8317 2.571163
367.3138 2.819008
367.7959 3.079498
368.2780 3.265549
368.7602 3.437553
369.2423 3.718750
369.7244 4.169453
370.2065 4.621979
370.6886 4.681141
371.1707 4.091240
371.6529 3.758213
372.1350 3.892483
372.6171 4.244614
373.0992 4.754742
373.5813 5.369579
374.0634 5.918709
374.5456 6.193760
375.0277 6.181091
375.5098 6.179356
375.9919 6.092129
376.4740 6.146587
376.9561 6.621803
377.4383 7.314598
377.9204 7.750671
378.4025 7.574059
378.8846 7.004971
379.3667 6.683586
379.8488 6.731594
380.3310 6.711441
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382.7415 5.005802
383.2237 4.790646
383.7058 4.588631
384.1879 4.257671
384.6700 3.635326
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385.6342 2.630325
386.1164 2.498432
386.5985 2.407352
387.0806 2.226353
387.5627 2.009964
388.0448 1.912876
388.5269 1.987072
389.0091 2.047596
389.4912 1.909058
389.9733 1.652653
390.4554 1.457584
390.9375 1.334366
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391.9018 1.475090
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392.8660 2.061932
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410.2222 0.2744980
410.7043 3.1261001E-02
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439.6313 4.283619
440.1134 4.310999
440.5955 4.598382
441.0776 4.406652
441.5598 4.689933
442.0418 4.783568
442.5240 4.964014
443.0061 4.956536
443.4882 5.007093
443.9703 5.245629
444.4524 5.380077
444.9345 5.350967
445.4167 5.536929
445.8988 5.338634
446.3809 5.477515
446.8630 5.761880
447.3451 5.742213
447.8272 5.931600
448.3094 6.041380
448.7915 5.789323
449.2736 6.166514
449.7557 6.271578
450.2378 6.097218
450.7199 6.663326
451.2021 7.070404
451.6842 7.387096
452.1663 7.699368
452.6484 8.103970
453.1305 8.569969
453.6126 8.942074
454.0948 9.204384
454.5769 9.387756
455.0590 9.438869
455.5411 9.427544
456.0232 9.469242
456.5053 9.522976
456.9875 9.748032
457.4696 10.42086
457.9517 11.41081
458.4338 12.10655
458.9159 12.23571
459.3980 12.11971
459.8802 12.22565
460.3623 12.55542
460.8444 12.95619
461.3265 13.41895
461.8086 13.92178
462.2907 14.48308
462.7729 15.08268
463.2550 15.62244
463.7371 16.03937
464.2192 16.36783
464.7013 16.67155
465.1834 16.84261
465.6656 17.08814
466.1477 17.46167
466.6298 17.91431
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