#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:23:14 +0300 (Thu, 24 May 2018) $
#$Revision: 699 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100026.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_2100026
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 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            R060166.rod
_rod_data_source.block           3500000
_rod_database.code               2100026
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
149.5641 0.0000000E+00
150.0462 9.792725
150.5283 13.89746
151.0105 24.07446
151.4926 9.506470
151.9747 1.416870
152.4568 0.8714600
152.9389 14.54187
153.4210 40.11963
153.9032 69.66626
154.3853 107.4964
154.8674 144.4821
155.3495 178.3080
155.8316 210.4871
156.3138 236.3387
156.7959 255.2781
157.2780 267.7885
157.7601 274.4165
158.2422 271.7123
158.7243 265.6326
159.2065 258.7739
159.6886 251.5037
160.1707 243.7012
160.6528 234.2605
161.1349 224.0098
161.6170 215.4594
162.0992 208.5718
162.5813 203.7654
163.0634 201.3118
163.5455 201.3396
164.0276 205.3055
164.5097 212.9710
164.9919 224.0349
165.4740 237.9829
165.9561 253.6794
166.4382 271.7916
166.9203 292.9508
167.4025 317.2756
167.8846 344.3602
168.3667 375.4948
168.8488 410.4114
169.3309 445.9717
169.8130 483.9762
170.2952 521.5071
170.7773 554.2997
171.2594 582.0075
171.7415 600.1501
172.2236 607.4305
172.7057 604.3325
173.1879 590.0079
173.6700 560.4849
174.1521 519.4919
174.6342 473.3138
175.1163 419.6006
175.5984 364.1042
176.0806 312.4178
176.5627 264.2881
177.0448 221.3145
177.5269 185.4224
178.0090 156.0768
178.4911 130.7677
178.9733 109.2621
179.4554 91.48428
179.9375 76.99515
180.4196 66.03333
180.9017 57.69962
181.3839 51.92795
181.8660 48.39047
182.3481 45.50906
182.8302 42.59018
183.3123 39.79547
183.7944 37.59244
184.2766 35.95245
184.7587 34.66840
185.2408 33.81708
185.7229 33.31415
186.2050 32.19650
186.6871 29.78375
187.1693 26.43066
187.6514 23.14734
188.1335 19.89313
188.6156 16.68280
189.0977 13.47443
189.5798 10.27533
190.0620 6.973572
190.5441 3.078217
191.0262 1.206940
191.5083 4.456329
191.9904 6.655823
192.4725 7.896423
192.9547 7.975189
193.4368 6.870178
193.9189 5.962677
194.4010 6.224396
194.8831 7.561554
195.3652 8.506958
195.8474 8.928192
196.3295 8.973145
196.8116 8.969147
197.2937 8.937714
197.7758 8.622498
198.2579 7.929169
198.7401 6.866577
199.2222 5.169250
199.7043 2.678253
200.1864 0.2626340
200.6685 2.841583
201.1507 4.955231
201.6328 7.153503
202.1149 9.803741
202.5970 12.94769
203.0791 16.14090
203.5612 19.38977
204.0434 22.62552
204.5255 25.57211
205.0076 28.15686
205.4897 30.72583
205.9718 33.50964
206.4539 36.55127
206.9361 39.62894
207.4182 46.29813
207.9003 52.78464
208.3824 58.44003
208.8645 63.26212
209.3466 67.29797
209.8288 70.34991
210.3109 72.56064
210.7930 74.71542
211.2751 76.94577
211.7572 78.98279
212.2393 79.95111
212.7215 79.56412
213.2036 78.79218
213.6857 78.09366
214.1678 77.23592
214.6499 77.20352
215.1321 78.12148
215.6142 79.89212
216.0963 82.14807
216.5784 84.88992
217.0605 88.10005
217.5426 91.75443
218.0248 95.79056
218.5069 100.4507
218.9890 105.9469
219.4711 112.0944
219.9532 118.1174
220.4353 124.1927
220.9175 129.9178
221.3996 134.8586
221.8817 138.2327
222.3638 142.9151
222.8459 149.8328
223.3280 158.3635
223.8102 164.8262
224.2923 168.2587
224.7744 171.2226
225.2565 175.3370
225.7386 181.0661
226.2208 186.7737
226.7029 192.1361
227.1850 197.3373
227.6671 203.1886
228.1492 209.8672
228.6313 216.9277
229.1135 224.0676
229.5956 231.2273
230.0777 238.7042
230.5598 246.4496
231.0419 254.5444
231.5240 263.5193
232.0062 273.5427
232.4883 284.2309
232.9704 295.3608
233.4525 306.8197
233.9346 318.9692
234.4167 331.9525
234.8989 345.6200
235.3810 359.2655
235.8631 373.4998
236.3452 386.9907
236.8273 399.3264
237.3095 411.2349
237.7916 420.4322
238.2737 426.8401
238.7558 430.4724
239.2379 431.4938
239.7200 429.8839
240.2022 425.7394
240.6843 418.9339
241.1664 408.7348
241.6485 397.4082
242.1306 384.6743
242.6127 370.8579
243.0949 357.5156
243.5770 344.1930
244.0591 331.9550
244.5412 321.5735
245.0233 313.7381
245.5054 306.0363
245.9876 298.3423
246.4697 290.7662
246.9518 283.3806
247.4339 276.0543
247.9160 269.0537
248.3981 262.5711
248.8803 256.6688
249.3624 250.7526
249.8445 245.0890
250.3266 239.4625
250.8087 233.1461
251.2909 226.0008
251.7730 218.6200
252.2551 211.2088
252.7372 203.5151
253.2193 196.0509
253.7014 188.7039
254.1836 181.7501
254.6657 175.9671
255.1478 171.9565
255.6299 168.0643
256.1120 163.5403
256.5941 158.1001
257.0763 153.1931
257.5584 149.0494
258.0405 145.3699
258.5226 141.4385
259.0047 137.0056
259.4868 132.6328
259.9690 128.4620
260.4511 124.3738
260.9332 121.0429
261.4153 118.4955
261.8974 116.6227
262.3795 115.4026
262.8617 115.1717
263.3438 114.7022
263.8259 113.4201
264.3080 111.1279
264.7901 109.4935
265.2722 108.6418
265.7544 108.3124
266.2365 108.2135
266.7186 108.4733
267.2007 108.5202
267.6829 108.0332
268.1650 106.9442
268.6471 106.4733
269.1292 106.7702
269.6113 107.4397
270.0934 108.1186
270.5756 108.9473
271.0577 109.2109
271.5398 108.4468
272.0219 106.7027
272.5040 105.9407
272.9861 106.3888
273.4683 107.3443
273.9504 108.2696
274.4325 109.2670
274.9146 109.6204
275.3967 109.1097
275.8788 107.7936
276.3610 106.0730
276.8431 103.8910
277.3252 101.5424
277.8073 99.35992
278.2894 97.38397
278.7715 95.16769
279.2537 92.66098
279.7358 89.81754
280.2179 86.28185
280.7000 81.92361
281.1821 77.53091
281.6642 73.77927
282.1464 70.66290
282.6285 67.25040
283.1106 63.26863
283.5927 58.99619
284.0748 55.19502
284.5569 51.88144
285.0391 48.80493
285.5212 45.78244
286.0033 42.81435
286.4854 39.89935
286.9675 37.01381
287.4496 34.24202
287.9318 31.71007
288.4139 29.39302
288.8960 27.44281
289.3781 26.16396
289.8602 25.38960
290.3424 24.16556
290.8245 22.27567
291.3066 20.19998
291.7887 18.79959
292.2708 18.00316
292.7530 17.16959
293.2351 15.92186
293.7172 14.36600
294.1993 12.70369
294.6814 10.82997
295.1635 9.341309
295.6457 9.374527
296.1278 10.58974
296.6099 11.56276
297.0920 11.59224
297.5741 10.93291
298.0562 9.877151
298.5384 8.380508
299.0205 6.993484
299.5026 6.491165
299.9847 6.620392
300.4668 6.597748
300.9489 5.867096
301.4311 4.924332
301.9132 4.527939
302.3953 4.660065
302.8774 4.868423
303.3595 4.736893
303.8416 4.442245
304.3238 4.298141
304.8059 4.428680
305.2880 4.727600
305.7701 5.047928
306.2522 5.417969
306.7343 5.973953
307.2165 6.911118
307.6986 8.060059
308.1807 9.233871
308.6628 10.49295
309.1449 11.61678
309.6270 12.40591
310.1092 12.92793
310.5913 13.37167
311.0734 13.51527
311.5555 13.80081
312.0376 14.67564
312.5197 16.39700
313.0019 18.22827
313.4840 19.80812
313.9661 21.22087
314.4482 22.65567
314.9304 24.02533
315.4125 25.56541
315.8946 27.51382
316.3767 30.02487
316.8588 32.34236
317.3409 34.03310
317.8231 35.40277
318.3052 36.84709
318.7873 38.86098
319.2694 40.66986
319.7515 41.74585
320.2336 41.98865
320.7158 42.65565
321.1979 44.72223
321.6800 47.07605
322.1621 48.70483
322.6442 48.79091
323.1263 48.76541
323.6085 49.21750
324.0906 50.07013
324.5727 50.05984
325.0548 48.22821
325.5369 45.97977
326.0190 44.16618
326.5012 43.77838
326.9833 42.74731
327.4654 40.65425
327.9475 37.73242
328.4296 34.94293
328.9117 32.39041
329.3939 29.88200
329.8760 27.35268
330.3581 25.02814
330.8402 22.21278
331.3223 18.39479
331.8044 14.20485
332.2866 10.90631
332.7687 8.688904
333.2508 7.135025
333.7329 6.284561
334.2150 6.399261
334.6971 5.864929
335.1793 4.310333
335.6614 2.459396
336.1435 1.309723
336.6256 1.111176
337.1077 0.9221950
337.5899 0.3909000
338.0720 0.4347380
338.5541 0.3643950
339.0362 0.9743040
339.5183 2.396820
340.0005 2.705353
340.4826 1.735809
340.9647 0.8468930
341.4468 0.2440490
341.9289 0.1070560
342.4110 0.2320560
342.8932 8.8546999E-02
343.3753 6.4208999E-02
343.8574 0.5832060
344.3395 1.598465
344.8216 2.176071
345.3037 2.083191
345.7859 1.810791
346.2680 2.353577
346.7501 3.661331
347.2322 4.832291
347.7143 5.304184
348.1964 5.264404
348.6786 5.315262
349.1607 5.489319
349.6428 5.690414
350.1249 5.800522
350.6070 5.844391
351.0891 5.905029
351.5713 6.107559
352.0534 6.301666
352.5355 6.226547
353.0176 5.889130
353.4997 5.481720
353.9818 5.135269
354.4640 4.821228
354.9461 4.535873
355.4282 4.544235
355.9103 4.243042
356.3924 2.810776
356.8745 0.5025480
357.3567 1.625687
357.8388 2.742538
358.3209 3.570175
358.8030 4.750427
359.2851 6.453186
359.7672 8.348770
360.2494 10.29625
360.7315 12.32208
361.2136 14.43730
361.6957 16.32843
362.1779 18.58940
362.6600 21.72452
363.1421 25.91290
363.6242 29.81552
364.1063 32.94640
364.5884 35.64029
365.0706 38.21243
365.5527 40.35938
366.0348 42.76260
366.5169 45.57217
366.9990 48.78143
367.4811 52.25284
367.9633 56.40286
368.4454 60.52631
368.9275 64.20102
369.4096 67.43527
369.8917 70.18922
370.3738 72.28076
370.8560 73.90849
371.3381 75.57031
371.8202 77.27214
372.3023 79.01938
372.7844 80.81319
373.2665 82.66455
373.7487 84.49429
374.2308 86.32123
374.7129 88.11035
375.1950 89.96606
375.6771 92.13953
376.1592 93.56543
376.6414 93.78217
377.1235 92.92728
377.6056 92.54575
378.0877 92.87039
378.5698 92.90417
379.0519 91.67670
379.5341 89.19537
380.0162 86.47928
380.4983 83.82817
380.9804 80.89584
381.4625 76.83820
381.9446 71.62642
382.4268 66.30914
382.9089 61.47417
383.3910 57.02603
383.8731 52.34949
384.3553 47.31470
384.8374 42.58551
385.3195 39.10941
385.8016 36.61728
386.2837 34.25284
386.7658 31.42624
387.2480 28.66055
387.7301 26.76683
388.2122 25.71918
388.6943 24.65318
389.1764 22.72955
389.6585 20.48755
390.1407 18.63591
390.6228 17.37904
391.1049 16.54984
391.5870 16.22562
392.0691 16.28545
392.5512 16.36656
393.0334 16.35048
393.5155 16.26927
393.9976 16.12267
394.4797 15.87874
394.9618 15.68340
395.4439 15.63687
395.9261 15.63983
396.4082 15.59009
396.8903 15.15620
397.3724 14.97998
397.8545 15.51945
398.3366 16.83060
398.8188 17.40196
399.3009 16.35869
399.7830 15.04794
400.2651 14.35043
400.7472 15.07936
401.2293 15.19333
401.7115 14.29974
402.1936 12.71573
402.6757 11.46098
403.1578 10.63242
403.6399 10.03365
404.1220 9.574081
404.6042 9.233521
405.0863 8.948273
405.5684 8.790298
406.0505 8.669601
406.5326 8.350983
407.0147 7.762512
407.4969 7.508575
407.9790 7.878616
408.4611 8.687073
408.9432 9.113235
409.4254 9.111862
409.9075 9.122864
410.3896 9.562775
410.8717 10.35150
411.3538 11.06389
411.8359 11.58760
412.3181 12.11115
412.8002 12.75537
413.2823 13.56200
413.7644 14.80716
414.2465 17.23663
414.7286 20.00558
415.2108 21.64537
415.6929 22.00308
416.1750 22.66199
416.6571 25.44104
417.1392 29.06575
417.6213 31.87148
418.1035 32.48865
418.5856 32.97876
419.0677 34.66170
419.5498 37.25394
420.0319 39.63574
420.5140 41.22061
420.9962 42.57500
421.4783 44.01924
421.9604 45.57373
422.4425 47.27731
422.9246 49.36716
423.4067 51.53146
423.8889 53.36697
424.3710 54.39182
424.8531 55.52467
425.3352 56.94844
425.8173 58.66052
426.2994 60.47369
426.7816 62.48756
427.2637 64.48795
427.7458 66.30882
428.2279 67.84254
428.7100 69.51520
429.1921 71.40268
429.6743 73.40099
430.1564 75.20422
430.6385 76.77707
431.1206 78.29337
431.6028 79.83630
432.0849 81.41037
432.5670 82.91003
433.0491 84.38293
433.5312 85.60042
434.0133 86.21336
434.4955 86.30450
434.9776 86.38550
435.4597 86.47174
435.9418 86.75681
436.4239 87.83423
436.9060 89.56163
437.3882 91.06305
437.8703 91.84836
438.3524 92.04547
438.8345 91.69189
439.3166 90.71707
439.7987 89.70168
440.2809 88.90892
440.7630 88.42111
441.2451 88.39578
441.7272 89.54298
442.2093 90.49408
442.6914 90.22856
443.1736 88.97147
443.6557 88.15979
444.1378 88.57013
444.6199 89.39536
445.1020 90.14005
445.5841 90.69977
446.0663 91.17282
446.5484 91.38907
447.0305 91.60817
447.5126 92.25288
447.9947 93.60909
448.4768 95.01862
448.9590 96.31114
449.4411 97.48267
449.9232 98.83119
450.4053 100.3561
450.8874 102.0343
451.3695 103.8522
451.8517 105.8488
452.3338 107.8391
452.8159 109.7115
453.2980 111.6962
453.7801 114.3716
454.2622 117.7386
454.7444 121.0918
455.2265 123.9308
455.7086 126.4792
456.1907 129.7210
456.6729 133.7403
457.1550 137.5655
457.6371 140.3663
458.1192 142.4363
458.6013 144.3923
459.0834 146.1654
459.5656 148.2671
460.0477 151.4388
460.5298 155.3969
461.0119 159.2012
461.4940 162.6688
461.9761 165.7686
462.4583 168.3159
462.9404 170.2657
463.4225 172.3551
463.9046 175.3168
464.3867 178.4087
464.8688 180.8739
465.3510 181.8929
465.8331 183.0642
466.3152 185.0098
466.7973 187.4084
467.2794 189.1102
467.7615 189.7604
468.2437 190.0039
468.7258 190.1306
469.2079 190.3198
469.6900 189.6002
470.1721 187.8613
470.6542 185.3408
471.1364 182.2684
471.6185 178.6470
472.1006 174.4650
472.5827 169.6236
473.0648 164.2514
473.5469 159.0823
474.0291 154.2405
474.5112 148.2993
474.9933 139.5566
475.4754 128.8405
475.9575 119.8164
476.4396 112.7132
476.9218 106.5134
477.4039 100.7832
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