#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:24 +0300 (Thu, 26 Apr 2018) $
#$Revision: 576 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100011.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_2100011
loop_
_publ_author_name
'Granger, M. M.'
'Protas, J.'
_publ_section_title
;
 Determination et etude de la structure cristalline de la jouravskite
 Ca3MnIV(SO4)(CO3)(OH)*12(H2O) Locality: Tachgagalt mine, Morocco
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1943
_journal_page_last               1951
_journal_paper_doi               10.1107/S0567740869005000
_journal_volume                  25
_journal_year                    1969
_chemical_compound_source        R110012
_chemical_formula_sum            'C H30 Ca3 Mn O25 S'
_chemical_name_mineral           Jouravskite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.06
_cell_length_b                   11.06
_cell_length_c                   10.50
_cell_volume                     1112.321
_exptl_crystal_density_diffrn    1.939
_cod_original_formula_sum        'Ca3 Mn S C O25 H30'
_cod_database_code               9011100
_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            R110012.rod
_rod_data_source.block           3500000
_rod_database.code               2100011
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 9011100 COD http://www.crystallography.net/cod/9011100.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
159.5481 0.0000000E+00
160.0302 0.5864560
160.5123 0.6422880
160.9945 6.2316999E-02
161.4766 8.6716004E-02
161.9587 0.7948460
162.4408 1.192719
162.9229 0.7508850
163.4050 9.5000997E-02
163.8871 0.1736600
164.3693 0.1630550
164.8514 0.8677830
165.3335 1.371033
165.8156 1.336609
166.2977 1.568985
166.7798 2.227402
167.2620 3.187531
167.7441 4.348770
168.2262 5.734741
168.7083 7.140228
169.1904 7.898148
169.6725 7.570648
170.1547 7.515442
170.6368 8.483398
171.1189 10.21548
171.6010 11.83090
172.0831 12.93904
172.5652 13.66780
173.0474 14.34898
173.5295 14.90747
174.0116 15.55409
174.4937 16.55093
174.9758 17.89790
175.4579 19.10750
175.9401 19.97795
176.4222 20.57816
176.9043 20.94493
177.3864 21.03143
177.8685 21.00572
178.3506 21.12288
178.8328 21.47702
179.3149 21.62376
179.7970 21.21579
180.2791 20.63080
180.7612 20.09193
181.2433 19.61594
181.7255 19.43488
182.2076 20.26744
182.6897 23.29491
183.1718 25.09302
183.6539 24.52396
184.1360 22.78146
184.6181 20.93536
185.1003 19.46115
185.5824 18.40805
186.0645 18.02151
186.5466 19.09457
187.0287 19.87624
187.5108 20.12599
187.9930 19.96642
188.4751 19.46906
188.9572 18.65437
189.4393 17.65263
189.9214 17.24748
190.4035 18.31244
190.8857 18.98466
191.3678 18.73526
191.8499 17.90950
192.3320 17.10747
192.8141 16.69164
193.2962 16.63235
193.7784 16.53452
194.2605 16.28853
194.7426 16.09950
195.2247 16.00992
195.7068 16.02336
196.1889 16.26672
196.6711 16.98030
197.1532 17.92789
197.6353 18.07332
198.1174 16.65219
198.5995 15.15930
199.0816 14.42822
199.5638 14.39108
200.0459 14.70744
200.5280 15.31473
201.0101 16.19873
201.4922 17.12424
201.9743 18.32616
202.4565 19.34755
202.9386 19.48550
203.4207 18.66110
203.9028 18.25108
204.3849 19.65303
204.8670 22.06329
205.3492 23.44710
205.8313 23.34740
206.3134 22.88266
206.7955 22.82057
207.2776 23.25836
207.7597 23.43234
208.2419 22.71974
208.7240 21.71867
209.2061 21.08620
209.6882 20.91348
210.1703 20.63799
210.6524 19.70879
211.1346 17.78645
211.6167 16.79895
212.0988 17.96046
212.5809 19.39326
213.0630 20.19248
213.5451 19.91021
214.0273 18.78535
214.5094 17.20334
214.9915 14.50462
215.4736 12.72906
215.9557 12.76147
216.4378 13.50244
216.9200 13.86245
217.4021 13.48032
217.8842 12.56371
218.3663 12.07232
218.8484 12.60976
219.3305 12.67922
219.8127 11.64841
220.2948 10.29792
220.7769 9.520737
221.2590 9.719719
221.7411 10.50791
222.2232 10.76798
222.7054 9.858025
223.1875 9.153526
223.6696 8.804749
224.1517 8.672577
224.6338 8.656822
225.1159 8.713837
225.5980 8.759125
226.0802 8.535019
226.5623 7.623840
227.0444 6.935799
227.5265 6.603882
228.0086 6.517159
228.4907 6.616814
228.9729 6.891068
229.4550 7.188896
229.9371 7.099281
230.4192 6.156349
230.9013 5.580193
231.3834 5.855324
231.8656 6.543335
232.3477 6.994202
232.8298 6.950516
233.3119 6.619698
233.7940 6.453896
234.2761 6.594467
234.7583 6.502327
235.2404 5.668602
235.7225 4.582191
236.2046 4.247475
236.6867 5.183632
237.1688 6.482277
237.6510 6.348595
238.1331 4.579704
238.6152 3.089478
239.0973 2.689232
239.5794 3.007462
240.0615 3.310303
240.5437 3.461205
241.0258 3.405701
241.5079 2.926994
241.9900 2.020088
242.4721 1.391495
242.9542 1.591461
243.4364 2.296967
243.9185 2.664169
244.4006 2.454979
244.8827 2.007484
245.3648 1.576775
245.8469 1.169792
246.3290 0.9450760
246.8112 1.180832
247.2933 1.682961
247.7754 1.840630
248.2575 1.521912
248.7396 0.9140010
249.2217 0.1429290
249.7039 1.434494
250.1860 2.158974
250.6681 1.348503
251.1502 0.4692460
251.6323 1.237312
252.1144 0.3344270
252.5966 0.7807850
253.0787 1.271790
253.5608 1.298615
254.0429 1.226013
254.5250 1.283997
255.0071 1.399742
255.4893 1.253021
255.9714 0.6262440
256.4535 8.7081999E-02
256.9356 0.1954120
257.4177 0.2266690
257.8998 3.5567999E-02
258.3820 0.7672200
258.8641 1.736115
259.3462 2.094528
259.8283 1.562500
260.3104 0.8303680
260.7925 0.1156160
261.2747 1.019005
261.7568 1.549911
262.2389 1.539604
262.7210 1.069153
263.2031 0.2218630
263.6852 1.816811
264.1674 2.739601
264.6495 1.256584
265.1316 1.122169
265.6137 2.802139
266.0958 3.087051
266.5779 2.434174
267.0601 1.823982
267.5422 0.9475860
268.0243 0.7524030
268.5064 1.778122
268.9885 3.207970
269.4706 4.357635
269.9528 4.981361
270.4349 5.241913
270.9170 5.400490
271.3991 5.286530
271.8812 5.424385
272.3633 6.066803
272.8455 6.791550
273.3276 7.282860
273.8097 7.463928
274.2918 7.461525
274.7739 7.403473
275.2560 7.011757
275.7382 7.203835
276.2202 8.640915
276.7024 10.04511
277.1845 10.41456
277.6666 9.729759
278.1487 8.864983
278.6308 8.945518
279.1129 10.39689
279.5951 11.34303
280.0772 11.51869
280.5593 11.51118
281.0414 11.63395
281.5235 11.88577
282.0056 12.06792
282.4878 11.96628
282.9699 11.51493
283.4520 11.25224
283.9341 11.48069
284.4162 11.57339
284.8983 11.05334
285.3805 10.15180
285.8626 9.530968
286.3447 9.758148
286.8268 10.81232
287.3089 11.34522
287.7910 10.85333
288.2732 10.41975
288.7553 10.52758
289.2374 10.91515
289.7195 10.95210
290.2016 10.19337
290.6837 8.904034
291.1659 8.598240
291.6480 10.75732
292.1301 12.16695
292.6122 11.76985
293.0943 10.43741
293.5764 9.383614
294.0586 9.163746
294.5407 9.540836
295.0228 9.850266
295.5049 10.05376
295.9870 10.20926
296.4691 10.18674
296.9513 10.17752
297.4334 10.53922
297.9155 11.35859
298.3976 12.15326
298.8797 12.07951
299.3618 10.40952
299.8440 9.173100
300.3261 8.617855
300.8082 8.348637
301.2903 8.002174
301.7724 7.523460
302.2545 7.171349
302.7367 7.306187
303.2188 8.166859
303.7009 8.550362
304.1830 8.080078
304.6651 7.497898
305.1472 7.241505
305.6294 7.321911
306.1115 7.539970
306.5936 7.749435
307.0757 7.925865
307.5578 7.879101
308.0399 7.613773
308.5221 7.317921
309.0042 7.044792
309.4863 6.733467
309.9684 6.422966
310.4505 6.121307
310.9326 5.680691
311.4148 5.467434
311.8969 4.857529
312.3790 4.331894
312.8611 3.896019
313.3432 3.621262
313.8253 3.663067
314.3075 4.088539
314.7896 4.739941
315.2717 5.253887
315.7538 5.783150
316.2359 5.878185
316.7180 5.048172
317.2001 3.984135
317.6823 3.485722
318.1644 3.774570
318.6465 4.514393
319.1286 5.164093
319.6107 5.658920
320.0928 6.128250
320.5750 6.806801
321.0571 7.281189
321.5392 7.006500
322.0213 6.070091
322.5034 5.093933
322.9855 4.532013
323.4677 4.302116
323.9498 4.442963
324.4319 5.311981
324.9140 6.143082
325.3961 6.512390
325.8782 6.505142
326.3604 6.447983
326.8425 6.538773
327.3246 6.773102
327.8067 7.151855
328.2888 7.769096
328.7709 8.394447
329.2531 8.962212
329.7352 9.502075
330.2173 10.07017
330.6994 10.69308
331.1815 11.34023
331.6636 11.93794
332.1458 12.54248
332.6279 13.01786
333.1100 12.98328
333.5921 13.00046
334.0742 13.79956
334.5563 15.52597
335.0385 17.52525
335.5206 18.83983
336.0027 19.19878
336.4848 19.59929
336.9669 19.85694
337.4490 20.24456
337.9312 21.05229
338.4133 22.23544
338.8954 23.41618
339.3775 24.17774
339.8596 24.42136
340.3417 25.23624
340.8239 27.48505
341.3060 29.36464
341.7881 30.05007
342.2702 29.88372
342.7523 29.57883
343.2344 29.55663
343.7166 29.79564
344.1987 30.19248
344.6808 30.93869
345.1629 31.64120
345.6450 32.41945
346.1271 33.06358
346.6093 33.45834
347.0914 33.53918
347.5735 33.10748
348.0556 31.65397
348.5377 27.93041
349.0198 25.47158
349.5020 25.04789
349.9841 25.14085
350.4662 24.80805
350.9483 23.90618
351.4304 22.79107
351.9125 21.85967
352.3947 21.17113
352.8768 20.29792
353.3589 19.12109
353.8410 17.88149
354.3231 16.63542
354.8052 15.39283
355.2874 14.09003
355.7695 12.63058
356.2516 11.14154
356.7337 10.36356
357.2158 11.09479
357.6979 11.45335
358.1800 10.87601
358.6621 9.877716
359.1443 9.044678
359.6264 8.597641
360.1085 8.300293
360.5906 7.719620
361.0727 6.769646
361.5548 5.759972
362.0370 4.279579
362.5191 3.077606
363.0012 2.810265
363.4833 3.430481
363.9654 4.223763
364.4475 4.477547
364.9297 4.160728
365.4118 3.804588
365.8939 3.095749
366.3760 2.717079
366.8581 3.116638
367.3402 4.028320
367.8224 4.931923
368.3045 5.578354
368.7866 5.958275
369.2687 5.974663
369.7508 5.404266
370.2329 4.961029
370.7151 4.883354
371.1972 5.040939
371.6793 5.414185
372.1614 6.036980
372.6435 6.566727
373.1256 6.482399
373.6078 5.734055
374.0899 5.111603
374.5720 4.918091
375.0541 4.769035
375.5362 4.258797
376.0183 3.442688
376.5005 2.872704
376.9826 3.104187
377.4647 3.897476
377.9468 4.398788
378.4289 4.573494
378.9110 4.411079
379.3932 3.639679
379.8753 2.552315
380.3574 1.703461
380.8395 1.218491
381.3216 1.093552
381.8037 1.472542
382.2859 2.371658
382.7680 3.184303
383.2501 3.738426
383.7322 3.959610
384.2143 3.756203
384.6964 3.015182
385.1786 2.248161
385.6607 1.764992
386.1428 1.484184
386.6249 1.154068
387.1070 0.6734770
387.5891 0.2599640
388.0713 0.2021100
388.5534 0.4654390
389.0355 0.8315960
389.5176 1.466576
389.9997 2.054558
390.4818 2.284065
390.9640 2.142883
391.4461 1.753471
391.9282 1.137077
392.4103 0.3398670
392.8924 0.3664250
393.3745 1.102409
393.8567 1.629906
394.3388 1.752151
394.8209 1.611031
395.3030 1.495682
395.7851 1.521889
396.2672 1.560043
396.7494 1.369270
397.2315 0.8445360
397.7136 0.3313140
398.1957 7.5866997E-02
398.6778 0.5246580
399.1599 1.291000
399.6420 2.312820
400.1241 3.056511
400.6063 2.921692
401.0884 1.850388
401.5705 1.948158
402.0526 4.404037
402.5347 6.540634
403.0168 7.242386
403.4990 7.146156
403.9811 7.361565
404.4632 8.423592
404.9453 9.960899
405.4274 11.04539
405.9095 11.17131
406.3917 11.69226
406.8738 12.86212
407.3559 14.23796
407.8380 15.60024
408.3201 16.86812
408.8022 17.97287
409.2844 18.80345
409.7665 19.32507
410.2486 20.07230
410.7307 21.15953
411.2128 22.36645
411.6949 23.64303
412.1771 24.99017
412.6592 26.55090
413.1413 28.50365
413.6234 30.33851
414.1055 30.76892
414.5876 29.24059
415.0698 28.00067
415.5519 27.86514
416.0340 28.01514
416.5161 27.89105
416.9982 27.44061
417.4803 27.02520
417.9625 27.06715
418.4446 27.46472
418.9267 27.49324
419.4088 26.96082
419.8909 26.33376
420.3730 26.01176
420.8552 25.83568
421.3373 25.42191
421.8194 24.36416
422.3015 23.18762
422.7836 22.70768
423.2657 22.97150
423.7479 23.16753
424.2300 22.73791
424.7121 22.22059
425.1942 22.48416
425.6763 23.61840
426.1584 24.77634
426.6406 25.78640
427.1227 26.70131
427.6048 27.39567
428.0869 27.81680
428.5690 28.29194
429.0511 29.15088
429.5333 30.36160
430.0154 31.31175
430.4975 31.74294
430.9796 32.25877
431.4617 33.13463
431.9438 34.25399
432.4260 35.50320
432.9081 36.83241
433.3902 38.28035
433.8723 39.96522
434.3544 41.92102
434.8365 44.01052
435.3187 46.29182
435.8008 48.66965
436.2829 51.11184
436.7650 53.57455
437.2471 55.91299
437.7292 57.94727
438.2114 59.66940
438.6935 61.72014
439.1756 64.51847
439.6577 67.19279
440.1398 69.22733
440.6219 71.11732
441.1040 73.54705
441.5862 76.79329
442.0683 80.53987
442.5504 84.28879
443.0325 88.24434
443.5146 91.60512
443.9967 94.11113
444.4789 96.15441
444.9610 97.66810
445.4431 98.81367
445.9252 100.0761
446.4073 101.8770
446.8894 104.0456
447.3716 106.0615
447.8537 108.2199
448.3358 109.4623
448.8179 108.6857
449.3000 107.0259
449.7821 105.6595
450.2643 104.8776
450.7464 104.1184
451.2285 102.9316
451.7106 101.3556
452.1927 99.61967
452.6748 97.88451
453.1570 95.81171
453.6391 92.74797
454.1212 88.92625
454.6033 85.41523
455.0854 82.85929
455.5675 80.47237
456.0497 77.42423
456.5318 73.80442
457.0139 70.28299
457.4960 67.20029
457.9781 64.43245
458.4602 61.66005
458.9424 58.96695
459.4245 56.10574
459.9066 52.86317
460.3887 49.53662
460.8708 46.37940
461.3529 43.45051
461.8351 40.78224
462.3172 38.43494
462.7993 36.44016
463.2814 34.17966
463.7635 31.27560
464.2456 28.55812
464.7278 26.14369
465.2099 24.05039
465.6920 22.35592
466.1741 21.07039
466.6562 19.98717
467.1383 18.75969
467.6205 17.32355
468.1026 15.91196
468.5847 14.51149
469.0668 13.15530
469.5489 11.91046
470.0310 10.72955
470.5132 9.480568
470.9953 8.001938
471.4774 6.476425
471.9595 5.441742
472.4416 5.045746
472.9237 4.594398
473.4059 3.750168
473.8880 2.799057
474.3701 1.976753
474.8522 1.312477
475.3343 0.7605970
475.8164 0.3648220
476.2986 5.6708999E-02
476.7807 0.3319930
477.2628 0.8199230
477.7449 1.395378
478.2270 2.191818
478.7091 3.075127
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