#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:02 +0300 (Thu, 24 May 2018) $
#$Revision: 714 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000220.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_1000220
loop_
_publ_author_name
'Menchetti, S.'
'Sabelli, C.'
_publ_section_title
;
 The halotrichite group: The crystal structure of apjohnite Locality:
 Terlano, Bolzano, Italy
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              599
_journal_page_last               608
_journal_paper_doi               10.1180/minmag.1976.040.314.07
_journal_volume                  40
_journal_year                    1976
_chemical_compound_source        R060231
_chemical_formula_sum            'Al2 Fe0.02 H44 Mg0.28 Mn0.64 O38 S4 Zn0.06'
_chemical_name_mineral           Apjohnite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.28
_cell_angle_gamma                90
_cell_length_a                   6.198
_cell_length_b                   24.347
_cell_length_c                   21.266
_cell_volume                     3157.583
_exptl_crystal_density_diffrn    1.854
_cod_original_formula_sum        '(Mn.64 Mg.28 Zn.06 Fe.02) Al2 S4 O38 H44'
_cod_database_code               9009454
_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            R060231.rod
_rod_data_source.block           3500000
_rod_database.code               1000220
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 9009454 COD http://www.crystallography.net/cod/9009454.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
158.6102 0.0000000E+00
159.0923 5.8550999E-02
159.5744 6.5499998E-04
160.0566 0.2636610
160.5387 0.5989890
161.0208 0.7570910
161.5029 0.9507200
161.9850 1.363172
162.4671 1.550614
162.9493 1.644933
163.4314 1.378882
163.9135 0.1469250
164.3956 7.5671002E-02
164.8777 0.4657530
165.3598 0.4620640
165.8420 1.345122
166.3241 1.362103
166.8062 1.102671
167.2883 1.096878
167.7704 1.695495
168.2525 2.363387
168.7346 2.814175
169.2168 3.056332
169.6989 3.166054
170.1810 2.831096
170.6631 2.490435
171.1452 2.691951
171.6273 4.292512
172.1095 5.965514
172.5916 6.445580
173.0737 5.829697
173.5558 5.204979
174.0379 5.285984
174.5201 5.885285
175.0022 6.710343
175.4843 8.056513
175.9664 9.358466
176.4485 9.859590
176.9306 9.581318
177.4128 9.009613
177.8949 8.320110
178.3770 7.638402
178.8591 7.232166
179.3412 7.528844
179.8233 8.055935
180.3055 7.985561
180.7876 7.288884
181.2697 6.475270
181.7518 6.020511
182.2339 5.858447
182.7160 5.756408
183.1982 5.639752
183.6803 5.518021
184.1624 5.339107
184.6445 5.074812
185.1266 4.993151
185.6087 5.609656
186.0909 6.772232
186.5730 7.679920
187.0551 7.845337
187.5372 7.466660
188.0193 7.139608
188.5014 6.843103
188.9836 6.729914
189.4657 7.088481
189.9478 7.874238
190.4299 8.653216
190.9120 9.402817
191.3941 10.03338
191.8763 9.901462
192.3584 8.814943
192.8405 7.498626
193.3226 6.892884
193.8047 7.003398
194.2868 7.531073
194.7690 8.725863
195.2511 10.47695
195.7332 11.18885
196.2153 10.65878
196.6974 9.490508
197.1795 8.597459
197.6617 7.976381
198.1438 7.622373
198.6259 7.493034
199.1080 7.587614
199.5901 8.219187
200.0722 9.586957
200.5544 11.18503
201.0365 11.98771
201.5186 11.88168
202.0007 11.72533
202.4828 11.97865
202.9649 12.68511
203.4471 13.10116
203.9292 13.08920
204.4113 12.93828
204.8934 13.25584
205.3755 14.10494
205.8576 14.99422
206.3398 15.67326
206.8219 16.08892
207.3040 16.66613
207.7861 17.52122
208.2682 18.42267
208.7503 18.79581
209.2325 18.40385
209.7146 18.19672
210.1967 18.56637
210.6788 19.63457
211.1609 20.61127
211.6430 20.96705
212.1252 20.92807
212.6073 21.56255
213.0894 23.18357
213.5715 24.63794
214.0536 25.10568
214.5357 23.73584
215.0179 22.92235
215.5000 22.93137
215.9821 23.44796
216.4642 23.66961
216.9463 23.62478
217.4284 23.71868
217.9105 24.11535
218.3927 24.90870
218.8748 25.16899
219.3569 24.71882
219.8390 23.91592
220.3211 23.41173
220.8032 23.32407
221.2854 23.19736
221.7675 22.85784
222.2496 22.16252
222.7317 21.79943
223.2138 21.95358
223.6959 22.37874
224.1781 22.62912
224.6602 22.75052
225.1423 22.61942
225.6244 22.11059
226.1065 20.96224
226.5886 20.21239
227.0708 20.05573
227.5529 20.19529
228.0350 19.98631
228.5171 19.19712
228.9992 18.44157
229.4813 17.96745
229.9635 17.88426
230.4456 17.77328
230.9277 17.77153
231.4098 17.68035
231.8919 17.02882
232.3740 15.34759
232.8562 13.88005
233.3383 13.15408
233.8204 13.51003
234.3025 13.48860
234.7846 12.93069
235.2667 12.08510
235.7489 11.43435
236.2310 11.17571
236.7131 10.79317
237.1952 10.02035
237.6773 8.639939
238.1594 7.749356
238.6416 7.607636
239.1237 7.800770
239.6058 7.635885
240.0879 6.831172
240.5700 6.117623
241.0521 5.698445
241.5343 5.584137
242.0164 5.767366
242.4985 6.503766
242.9806 7.356869
243.4627 7.646398
243.9448 7.010190
244.4270 6.420564
244.9091 6.226788
245.3912 6.581658
245.8733 6.407020
246.3554 5.273919
246.8375 3.940315
247.3197 3.499860
247.8018 4.630768
248.2839 5.426759
248.7660 5.323020
249.2481 4.187007
249.7302 3.157121
250.2124 2.057307
250.6945 1.223469
251.1766 1.121246
251.6587 2.246425
252.1408 3.142297
252.6229 3.426088
253.1051 3.052585
253.5872 2.799481
254.0693 2.729954
254.5514 2.707649
255.0335 2.574457
255.5156 2.241839
255.9978 2.004163
256.4799 1.999344
256.9620 2.219541
257.4441 2.050538
257.9262 1.261706
258.4083 0.3751930
258.8904 9.4259001E-02
259.3726 5.7355002E-02
259.8547 8.7930001E-02
260.3368 0.2343920
260.8189 0.8487600
261.3010 0.9070310
261.7831 3.7170000E-02
262.2653 0.8368020
262.7474 0.3700140
263.2295 0.3217230
263.7116 1.283175
264.1937 1.434367
264.6758 0.3872050
265.1580 0.3861980
265.6401 0.7369500
266.1222 1.090974
266.6043 0.3778000
267.0864 1.424068
267.5685 2.040804
268.0507 0.7457890
268.5328 0.5043900
269.0149 0.4623420
269.4970 0.6025630
269.9791 0.1668680
270.4612 0.8192810
270.9434 1.303193
271.4255 1.323007
271.9076 0.6743140
272.3897 0.3004470
272.8718 0.5654730
273.3539 0.1726030
273.8361 0.6475210
274.3182 0.1324190
274.8003 0.3807770
275.2824 1.484141
275.7645 0.8886370
276.2466 0.5858740
276.7288 0.7449700
277.2109 0.9489800
277.6930 0.8432430
278.1751 0.9380820
278.6572 0.2295900
279.1393 0.2977400
279.6215 0.5878300
280.1036 0.8150740
280.5857 1.316046
281.0678 2.136378
281.5499 2.810767
282.0320 3.077093
282.5142 2.977102
282.9963 3.047903
283.4784 3.329376
283.9605 3.663596
284.4426 3.819262
284.9247 3.791369
285.4069 3.823844
285.8890 3.933346
286.3711 4.159790
286.8532 4.792053
287.3353 5.885004
287.8174 7.076948
288.2996 7.866661
288.7817 8.312524
289.2638 9.093119
289.7459 10.61016
290.2280 12.47471
290.7101 13.53026
291.1923 13.73929
291.6744 13.82455
292.1565 14.59012
292.6386 15.84615
293.1207 16.54897
293.6028 16.22353
294.0850 15.52657
294.5671 15.75760
295.0492 16.87184
295.5313 18.17941
296.0134 19.28367
296.4955 20.18773
296.9777 20.85007
297.4598 21.19282
297.9419 21.43144
298.4240 21.90150
298.9061 22.55655
299.3882 23.16513
299.8704 23.63538
300.3525 23.95780
300.8346 24.04839
301.3167 23.83774
301.7988 23.67579
302.2809 23.88391
302.7631 24.44227
303.2452 25.29585
303.7273 26.63034
304.2094 28.15963
304.6915 29.51979
305.1736 30.71069
305.6558 31.66871
306.1379 32.32039
306.6200 32.70233
307.1021 32.88292
307.5842 32.52855
308.0663 32.19687
308.5485 32.51485
309.0306 33.46617
309.5127 34.49308
309.9948 35.52157
310.4769 36.31242
310.9590 36.59533
311.4412 35.51539
311.9233 34.75200
312.4054 35.93601
312.8875 38.68627
313.3696 41.03423
313.8517 41.56619
314.3339 41.19678
314.8160 40.66770
315.2981 40.19360
315.7802 39.56895
316.2623 38.57772
316.7444 37.33507
317.2266 36.16965
317.7087 35.11085
318.1908 34.11613
318.6729 33.10308
319.1550 32.01560
319.6371 31.32803
320.1193 31.56527
320.6014 32.08457
321.0835 31.82079
321.5656 29.71487
322.0477 27.54909
322.5298 26.18538
323.0120 25.79705
323.4941 25.27830
323.9762 23.98629
324.4583 22.66361
324.9404 21.99910
325.4225 22.82799
325.9047 23.51091
326.3868 23.39393
326.8689 22.53452
327.3510 22.06587
327.8331 22.54570
328.3152 23.19391
328.7974 23.50088
329.2795 23.15251
329.7616 22.82679
330.2437 22.52958
330.7258 22.26411
331.2079 22.14425
331.6901 21.98762
332.1722 21.92603
332.6543 22.06187
333.1364 22.97116
333.6185 23.29626
334.1006 22.71382
334.5828 21.52743
335.0649 20.69868
335.5470 20.48828
336.0291 20.21804
336.5112 19.60466
336.9933 18.42926
337.4755 17.82469
337.9576 18.09690
338.4397 18.59486
338.9218 18.35289
339.4039 17.14198
339.8860 16.00028
340.3681 15.16330
340.8503 14.63242
341.3324 14.61531
341.8145 15.31116
342.2966 15.96833
342.7787 15.72853
343.2608 14.53454
343.7430 13.72718
344.2251 13.71187
344.7072 14.15680
345.1893 13.97680
345.6714 13.10885
346.1535 12.34083
346.6357 12.52374
347.1178 13.42372
347.5999 13.46642
348.0820 12.23131
348.5641 10.68025
349.0462 10.53538
349.5284 11.60407
350.0105 12.43836
350.4926 11.96188
350.9747 10.74569
351.4568 10.12642
351.9389 10.20747
352.4211 10.41156
352.9032 10.02390
353.3853 9.293185
353.8674 8.829996
354.3495 9.312855
354.8316 9.915007
355.3138 9.504995
355.7959 8.173265
356.2780 6.853960
356.7601 6.258055
357.2422 6.030962
357.7243 5.692916
358.2065 4.975029
358.6886 4.335855
359.1707 4.181040
359.6528 4.379996
360.1349 4.539720
360.6170 4.537744
361.0992 4.377520
361.5813 3.980862
362.0634 3.203972
362.5455 2.638310
363.0276 2.662755
363.5097 3.014399
363.9919 3.302433
364.4740 3.567448
364.9561 3.603389
365.4382 3.301890
365.9203 2.640705
366.4024 1.835257
366.8846 0.4217410
367.3667 0.5227240
367.8488 9.6600000E-03
368.3309 0.1774060
368.8130 0.7185210
369.2951 1.048075
369.7773 0.8368880
370.2594 0.2836630
370.7415 0.1937450
371.2236 1.069898
371.7057 1.223928
372.1878 0.6470600
372.6700 0.1946740
373.1521 0.6213370
373.6342 0.4737660
374.1163 8.4936000E-02
374.5984 0.7071920
375.0805 0.4235960
375.5627 2.7492000E-02
376.0448 0.2288060
376.5269 0.4706500
377.0090 0.8817160
377.4911 1.119480
377.9732 0.6436560
378.4554 0.7102440
378.9375 0.4577080
379.4196 0.2786840
379.9017 0.6615980
380.3838 0.9807000
380.8659 1.038925
381.3481 0.8552770
381.8302 0.6625030
382.3123 0.4673920
382.7944 0.2850000
383.2765 9.2610002E-02
383.7586 1.4882000E-02
384.2408 0.2445980
384.7229 0.7929910
385.2050 1.157135
385.6871 0.8827690
386.1692 0.3109340
386.6513 0.1882740
387.1335 0.5545750
387.6156 0.8559110
388.0977 0.2737850
388.5798 0.7019300
389.0619 1.148558
389.5440 0.4461060
390.0262 0.6018380
390.5083 1.197587
390.9904 1.467961
391.4725 1.278754
391.9546 0.2235460
392.4367 1.853543
392.9189 2.750012
393.4010 2.434947
393.8831 2.158293
394.3652 2.782143
394.8473 3.805327
395.3294 4.406562
395.8116 3.843327
396.2937 3.209953
396.7758 2.891207
397.2579 2.913519
397.7400 3.280709
398.2221 4.581612
398.7043 5.912423
399.1864 6.532336
399.6685 5.328948
400.1506 4.625960
400.6327 5.044681
401.1148 6.262665
401.5970 6.692876
402.0791 5.393363
402.5612 4.388934
403.0433 4.673276
403.5254 6.881248
404.0075 8.621284
404.4897 9.812712
404.9718 10.61904
405.4539 11.19085
405.9360 11.37027
406.4181 11.84888
406.9002 12.90175
407.3824 14.45909
407.8645 16.02352
408.3466 17.65526
408.8287 19.06028
409.3108 19.70631
409.7929 19.64758
410.2751 20.33634
410.7572 22.22178
411.2393 24.57308
411.7214 25.71705
412.2035 25.81626
412.6856 26.37442
413.1678 28.83326
413.6499 32.27015
414.1320 34.62528
414.6141 35.76796
415.0962 36.50969
415.5783 37.28953
416.0605 38.26553
416.5426 39.76902
417.0247 42.32959
417.5068 45.10902
417.9889 47.47670
418.4710 49.45221
418.9532 51.18022
419.4353 52.45963
419.9174 53.66193
420.3995 55.13327
420.8816 57.17513
421.3637 58.88230
421.8459 59.45906
422.3280 59.56015
422.8101 60.19841
423.2922 62.55285
423.7743 64.57663
424.2564 65.46436
424.7386 65.10304
425.2207 64.72279
425.7028 64.84293
426.1849 64.95314
426.6670 64.64960
427.1491 63.43897
427.6313 62.51228
428.1134 62.13708
428.5955 61.95530
429.0776 61.22432
429.5597 59.60551
430.0418 58.32142
430.5240 58.07064
431.0061 58.90129
431.4882 58.65652
431.9703 57.02590
432.4524 54.90879
432.9345 53.38998
433.4167 52.50628
433.8988 51.77262
434.3809 51.07293
434.8630 50.43224
435.3451 50.06533
435.8272 50.00296
436.3094 49.85136
436.7915 49.10532
437.2736 48.07566
437.7557 47.61221
438.2378 47.82620
438.7199 48.39508
439.2020 49.33240
439.6841 50.38103
440.1663 51.01318
440.6484 50.47318
441.1305 49.82170
441.6126 50.05158
442.0947 51.03020
442.5768 51.94106
443.0590 52.14711
443.5411 52.24074
444.0232 52.68087
444.5053 53.62743
444.9874 54.73946
445.4695 56.25963
445.9517 57.82081
446.4338 58.73125
446.9159 57.96974
447.3980 57.57265
447.8801 58.12083
448.3622 59.62160
448.8444 61.24045
449.3265 63.20147
449.8086 65.21358
450.2907 66.99799
450.7728 68.64957
451.2549 69.82922
451.7371 70.23355
452.2192 70.34370
452.7013 71.33742
453.1834 73.47550
453.6655 75.50567
454.1476 76.88190
454.6298 77.65768
455.1119 78.47379
455.5940 79.39144
456.0761 80.35043
456.5582 81.27819
457.0403 82.24901
457.5225 83.44969
458.0046 84.98586
458.4867 86.57485
458.9688 87.81693
459.4509 88.73440
459.9330 89.37328
460.4152 89.33370
460.8973 89.25364
461.3794 90.08611
461.8615 91.91238
462.3436 93.60748
462.8257 94.34038
463.3079 94.59473
463.7900 94.93641
464.2721 95.98447
464.7542 96.60431
465.2363 96.10816
465.7184 94.81114
466.2006 93.60522
466.6827 92.55516
467.1648 91.77833
467.6469 91.40743
468.1290 91.59099
468.6111 91.63129
469.0933 91.63728
469.5754 91.41376
470.0575 90.71407
470.5396 89.05032
471.0217 87.95216
471.5038 87.90903
471.9860 88.47279
472.4681 88.04188
472.9502 86.39162
473.4323 84.49178
473.9144 82.79271
474.3965 81.27779
474.8787 79.62443
475.3608 77.75382
475.8429 76.11379
476.3250 75.72549
476.8071 76.20904
477.2892 75.55481
477.7714 72.90051
478.2535 69.39260
478.7356 66.56703
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