#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:49:28 +0300 (Thu, 24 May 2018) $
#$Revision: 802 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100029.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_2100029
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 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            R110012.rod
_rod_data_source.block           3500000
_rod_database.code               2100029
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
176.3699 0.0000000E+00
176.8520 0.9271850
177.3341 0.7343140
177.8163 0.1674650
178.2984 1.7761000E-02
178.7805 0.9101100
179.2626 2.195755
179.7447 3.891663
180.2268 5.373016
180.7090 5.759186
181.1911 5.345917
181.6732 5.048523
182.1553 5.411942
182.6374 6.157593
183.1195 6.644501
183.6017 6.803284
184.0838 6.994675
184.5659 7.861938
185.0480 9.233414
185.5301 10.24689
186.0123 10.13184
186.4944 9.301498
186.9765 9.157593
187.4586 9.842758
187.9407 10.80637
188.4228 11.27110
188.9050 11.27797
189.3871 11.25955
189.8692 11.47546
190.3513 11.86987
190.8334 12.08006
191.3155 12.00442
191.7977 11.97171
192.2798 12.66931
192.7619 14.09793
193.2440 15.39875
193.7261 16.07134
194.2082 16.16687
194.6904 16.17824
195.1725 16.04352
195.6546 16.02147
196.1367 16.77788
196.6188 18.36887
197.1009 19.89571
197.5831 20.82539
198.0652 21.15964
198.5473 21.54404
199.0294 22.04319
199.5115 22.55520
199.9937 22.73454
200.4758 22.48515
200.9579 22.51697
201.4400 23.54022
201.9221 25.67824
202.4042 26.88110
202.8864 26.72928
203.3685 25.90158
203.8506 26.02566
204.3327 27.29923
204.8148 28.61210
205.2969 29.40563
205.7791 29.65359
206.2612 29.53207
206.7433 28.97864
207.2254 28.14925
207.7075 27.30898
208.1896 26.36519
208.6718 25.59865
209.1539 25.35683
209.6360 25.76226
210.1181 25.51681
210.6002 24.47053
211.0823 22.99685
211.5645 22.23724
212.0466 22.50777
212.5287 22.90007
213.0108 23.38584
213.4929 23.85928
213.9750 23.45498
214.4572 22.14423
214.9393 20.24093
215.4214 19.08377
215.9035 19.03810
216.3856 19.20585
216.8678 18.98093
217.3499 18.31759
217.8320 18.08174
218.3141 18.33791
218.7962 18.79063
219.2783 18.39364
219.7605 16.78514
220.2426 15.13696
220.7247 13.97354
221.2068 13.53809
221.6889 13.19766
222.1710 12.93127
222.6532 12.73720
223.1353 12.69490
223.6174 13.00846
224.0995 13.12733
224.5816 12.72606
225.0637 11.55991
225.5459 10.47168
226.0280 9.454895
226.5101 8.533333
226.9922 7.881622
227.4743 7.581474
227.9564 7.407326
228.4386 7.282089
228.9207 7.353355
229.4028 7.117569
229.8849 6.327499
230.3670 5.280838
230.8492 4.869331
231.3313 5.499969
231.8134 6.154114
232.2955 6.377457
232.7776 6.024590
233.2597 5.561996
233.7419 4.927696
234.2240 4.341782
234.7061 3.925606
235.1882 3.761055
235.6703 3.647385
236.1524 3.547020
236.6346 3.525230
237.1167 3.303421
237.5988 2.758057
238.0809 2.051193
238.5630 1.558594
239.0451 1.389191
239.5273 1.283714
240.0094 1.152298
240.4915 1.023804
240.9736 0.7547070
241.4557 0.1802060
241.9378 0.4642720
242.4200 0.6522060
242.9021 0.1032260
243.3842 0.4523010
243.8663 0.7301330
244.3484 0.6229020
244.8306 0.5661160
245.3127 0.6231310
245.7948 0.6945880
246.2769 0.5813670
246.7590 0.1625100
247.2411 0.2138520
247.7233 0.3712880
248.2054 0.1591150
248.6875 0.3424680
249.1696 1.222340
249.6517 2.292427
250.1338 2.660469
250.6160 1.896248
251.0981 1.210926
251.5802 1.037697
252.0623 1.525703
252.5444 1.729343
253.0265 1.527306
253.5087 1.144547
253.9908 0.8935430
254.4729 0.8233410
254.9550 0.7842060
255.4371 0.7599110
255.9192 0.7644810
256.4014 0.6161230
256.8835 0.1722640
257.3656 0.2829210
257.8477 0.3458440
258.3298 0.2392160
258.8120 0.6493530
259.2941 0.6582760
259.7762 0.2440530
260.2583 0.2435610
260.7404 0.9539870
261.2225 1.553623
261.7047 1.627148
262.1868 0.9366800
262.6689 0.3287120
263.1510 8.4476002E-02
263.6331 0.2942010
264.1152 5.4458998E-02
264.5974 0.8576850
265.0795 1.875374
265.5616 2.423393
266.0437 2.383785
266.5258 2.276920
267.0079 2.164238
267.4901 2.053364
267.9722 2.029366
268.4543 2.080101
268.9364 2.239815
269.4185 2.573685
269.9006 3.138481
270.3828 3.619152
270.8649 3.922783
271.3470 4.109531
271.8291 4.490559
272.3112 5.124107
272.7933 5.801533
273.2755 6.401218
273.7576 6.937057
274.2397 7.281555
274.7218 7.342342
275.2039 7.243786
275.6860 7.460236
276.1682 8.126408
276.6503 8.605797
277.1324 8.329163
277.6145 7.213978
278.0966 6.514629
278.5787 6.364002
279.0609 6.639042
279.5430 7.165882
280.0251 7.993210
280.5072 8.770737
280.9893 9.333576
281.4715 9.679909
281.9536 9.813957
282.4357 9.674679
282.9178 9.442192
283.3999 9.478580
283.8820 9.798706
284.3642 10.02602
284.8463 9.886139
285.3284 9.426163
285.8105 9.242241
286.2926 9.385761
286.7747 9.640369
287.2569 9.682529
287.7390 9.518806
288.2211 9.408157
288.7032 9.597477
289.1853 9.954258
289.6674 9.710197
290.1496 8.762547
290.6317 7.862091
291.1138 8.105663
291.5959 9.304005
292.0780 10.12669
292.5602 10.00467
293.0423 9.270634
293.5244 8.649975
294.0065 8.140270
294.4886 7.903557
294.9707 8.272472
295.4529 9.075344
295.9350 9.679550
296.4171 9.842445
296.8992 9.805050
297.3813 10.06605
297.8634 10.58869
298.3456 10.96746
298.8277 10.77420
299.3098 10.20501
299.7919 9.683022
300.2740 9.367947
300.7561 9.138584
301.2383 8.647083
301.7204 7.967720
302.2025 7.539562
302.6846 7.949905
303.1667 8.699608
303.6488 9.009247
304.1310 8.682278
304.6131 8.123951
305.0952 7.591167
305.5773 7.132244
306.0594 6.870720
306.5415 6.838642
307.0237 6.957188
307.5058 7.319817
307.9879 8.056171
308.4700 8.593407
308.9521 8.134655
309.4343 7.133720
309.9164 6.399433
310.3985 6.554394
310.8806 6.992260
311.3627 7.304852
311.8448 7.468021
312.3270 7.465683
312.8091 7.182003
313.2912 6.764832
313.7733 6.388107
314.2554 5.932285
314.7375 5.725861
315.2197 6.098820
315.7018 6.954334
316.1839 7.595318
316.6660 7.610947
317.1481 7.370747
317.6302 7.170883
318.1124 6.943718
318.5945 6.914440
319.0766 7.301331
319.5587 7.974022
320.0408 8.499134
320.5229 8.761204
321.0051 8.818874
321.4872 8.679268
321.9693 8.203770
322.4514 7.884308
322.9335 7.845322
323.4156 8.006306
323.8978 8.221317
324.3799 8.457199
324.8620 8.749901
325.3441 9.194626
325.8262 9.974842
326.3083 10.33430
326.7905 9.765636
327.2726 8.892838
327.7547 8.489979
328.2368 8.863041
328.7189 9.410072
329.2010 10.08259
329.6832 10.89368
330.1653 11.62572
330.6474 12.41413
331.1295 13.02533
331.6116 13.24702
332.0938 12.70811
332.5759 12.36171
333.0580 12.31130
333.5401 12.54847
334.0222 13.03614
334.5043 13.97797
334.9865 14.89017
335.4686 15.50629
335.9507 15.81534
336.4328 15.81153
336.9149 15.26959
337.3970 14.52733
337.8792 14.59047
338.3613 15.75194
338.8434 16.89428
339.3255 17.46585
339.8076 17.37557
340.2898 17.53065
340.7719 18.01292
341.2540 18.57381
341.7361 18.78307
342.2182 18.58449
342.7003 18.63133
343.1825 19.23505
343.6646 20.29275
344.1467 21.13544
344.6288 21.75840
345.1109 22.26101
345.5930 22.84945
346.0752 23.48008
346.5573 23.77181
347.0394 23.62009
347.5215 23.06155
348.0036 21.84003
348.4857 19.98572
348.9679 18.63252
349.4500 19.15714
349.9321 20.88831
350.4142 21.80589
350.8963 21.45646
351.3784 20.56165
351.8606 20.03878
352.3427 19.78869
352.8248 19.40884
353.3069 18.35212
353.7890 17.14951
354.2711 16.65607
354.7533 17.02037
355.2354 17.37415
355.7175 16.72748
356.1996 15.58630
356.6817 14.82874
357.1638 15.42810
357.6460 16.11050
358.1281 15.74946
358.6102 14.41884
359.0923 13.15675
359.5744 12.71656
360.0565 12.56680
360.5387 12.18196
361.0208 11.16800
361.5029 10.20187
361.9850 9.500229
362.4671 9.067532
362.9492 8.936264
363.4314 9.738705
363.9135 10.39591
364.3956 10.17281
364.8777 8.388489
365.3598 7.126663
365.8419 7.146969
366.3241 7.879803
366.8062 8.471966
367.2883 8.813843
367.7704 8.992550
368.2526 9.032547
368.7347 8.935913
369.2168 8.687817
369.6989 8.008965
370.1810 7.348911
370.6631 7.078777
371.1453 7.444904
371.6274 7.842331
372.1095 8.265270
372.5916 8.686981
373.0737 8.910862
373.5558 8.890697
374.0380 8.749287
374.5201 8.513588
375.0022 8.107895
375.4843 7.874332
375.9664 7.871826
376.4485 8.004864
376.9307 8.086811
377.4128 8.103424
377.8949 8.124241
378.3770 8.254688
378.8591 8.473427
379.3412 8.220036
379.8234 7.368572
380.3055 6.494576
380.7876 6.364353
381.2697 6.931049
381.7518 7.365868
382.2339 7.402794
382.7161 7.207668
383.1982 7.165157
383.6803 7.271049
384.1624 7.397705
384.6445 7.453190
385.1266 7.456432
385.6088 7.460789
386.0909 7.483799
386.5730 7.479881
387.0551 7.439831
387.5372 7.337299
388.0193 7.093201
388.5015 6.369598
388.9836 5.642738
389.4657 5.550781
389.9478 6.147022
390.4299 6.699623
390.9120 6.764526
391.3942 6.479500
391.8763 6.009048
392.3584 5.242565
392.8405 4.465359
393.3226 3.813931
393.8047 3.273983
394.2869 2.779881
394.7690 2.386265
395.2511 1.976151
395.7332 1.449493
396.2154 0.6531980
396.6975 3.1452000E-02
397.1796 0.2943730
397.6617 0.3960460
398.1438 0.3981820
398.6259 0.1915210
399.1081 1.1021000E-02
399.5902 5.1254001E-02
400.0723 3.5744000E-02
400.5544 2.3998000E-02
401.0365 0.2285580
401.5186 0.4733470
402.0008 0.4957810
402.4829 0.1758230
402.9650 0.1452980
403.4471 0.4615630
403.9292 0.7523350
404.4113 0.9210050
404.8935 0.9489560
405.3756 0.9013180
405.8577 0.7880780
406.3398 0.5944940
406.8219 0.4615750
407.3040 0.4089780
407.7862 0.3798870
408.2683 0.2749290
408.7504 9.0144999E-02
409.2325 6.0550999E-02
409.7146 0.1086040
410.1967 0.1006360
410.6789 0.2031290
411.1610 0.4188650
411.6431 0.6883960
412.1252 0.8598860
412.6073 1.034725
413.0894 1.614616
413.5716 2.880260
414.0537 4.093430
414.5358 4.163128
415.0179 3.365448
415.5000 2.632175
415.9821 2.552002
416.4643 2.768139
416.9464 2.867886
417.4285 2.790451
417.9106 2.862385
418.3927 3.415081
418.8748 4.187546
419.3570 4.866665
419.8391 5.369003
420.3212 5.746162
420.8033 6.020306
421.2854 6.190052
421.7675 6.257999
422.2497 6.142902
422.7318 5.973614
423.2139 5.750053
423.6960 5.256721
424.1781 5.225567
424.6602 6.253323
425.1424 7.667984
425.6245 8.473457
426.1066 7.963219
426.5887 7.640522
427.0709 7.835793
427.5530 8.603271
428.0351 9.332855
428.5172 10.07355
428.9993 10.71986
429.4814 11.21675
429.9636 11.58657
430.4457 11.67912
430.9278 11.37056
431.4099 10.88791
431.8920 10.68567
432.3741 10.76222
432.8563 11.12918
433.3384 11.88619
433.8205 12.97743
434.3026 13.95924
434.7847 14.81470
435.2668 15.73203
435.7490 16.95626
436.2311 18.42030
436.7132 19.80205
437.1953 20.87632
437.6774 22.03466
438.1595 24.16112
438.6417 26.97705
439.1238 29.32801
439.6059 30.03798
440.0880 30.17519
440.5701 30.90244
441.0522 32.41535
441.5344 34.06191
442.0165 35.41085
442.4986 36.66364
442.9807 38.05979
443.4628 39.61750
443.9449 41.39268
444.4271 43.74873
444.9092 46.49124
445.3913 48.54895
445.8734 48.91241
446.3555 49.04741
446.8376 49.66700
447.3198 50.99442
447.8019 52.48922
448.2840 54.48949
448.7661 56.48734
449.2482 57.74135
449.7303 57.86705
450.2125 57.88223
450.6946 58.02188
451.1767 58.26456
451.6588 58.24651
452.1409 57.87596
452.6230 57.46105
453.1052 57.36472
453.5873 57.65639
454.0694 57.28374
454.5515 56.07924
455.0337 54.33899
455.5158 52.43362
455.9979 50.38063
456.4800 48.60930
456.9621 47.60719
457.4442 46.89223
457.9264 45.16279
458.4085 42.46751
458.8906 39.73435
459.3727 37.93135
459.8548 36.53839
460.3369 34.70676
460.8191 32.05577
461.3012 29.32004
461.7833 26.89751
462.2654 24.83755
462.7475 23.24108
463.2296 22.74302
463.7118 22.22434
464.1939 21.00134
464.6760 19.01170
465.1581 16.96874
465.6402 14.82850
466.1223 12.89140
466.6045 11.39948
467.0866 10.99698
467.5687 10.27057
468.0508 8.788666
468.5329 6.964165
469.0150 5.704929
469.4972 5.315910
469.9793 5.049953
470.4614 4.750431
470.9435 4.430054
471.4256 3.808109
471.9077 2.796246
472.3899 1.661804
472.8720 0.5883330
473.3541 0.4486270
473.8362 1.253986
474.3183 1.794338
474.8004 2.114773
475.2826 2.247284
475.7647 2.203259
476.2468 2.141277
476.7289 2.136032
477.2110 2.171299
477.6931 2.216446
478.1753 2.271080
478.6574 2.331264
479.1395 2.475285
479.6216 2.600357
480.1037 2.521217
480.5858 2.050941
481.0680 1.625999
481.5501 1.601170
482.0322 1.837078
482.5143 2.046421
482.9964 2.443115
483.4786 2.505402
483.9607 1.775188
484.4428 0.1609950
484.9249 1.097809
485.4070 1.297203
485.8892 1.339127
486.3713 1.872871
486.8534 3.349411
487.3355 4.657326
487.8176 5.756996
488.2997 6.674301
488.7819 7.456993
489.2640 8.005684
489.7461 8.655800
490.2282 9.542198
490.7103 10.65616
491.1924 11.68023
491.6746 12.59106
492.1567 13.53398
492.6388 14.66363
493.1209 15.96716
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