#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:35:54 +0300 (Thu, 26 Apr 2018) $
#$Revision: 491 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000046.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_1000046
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 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            R060231.rod
_rod_data_source.block           3500000
_rod_database.code               1000046
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
150.1633 0.0000000E+00
150.6454 0.3898020
151.1275 4.204967
151.6096 6.778015
152.0917 5.668985
152.5739 2.972619
153.0560 2.193347
153.5381 3.926972
154.0202 6.014908
154.5023 5.937703
154.9844 3.453005
155.4665 1.222234
155.9487 0.7063350
156.4308 0.8705400
156.9129 1.276092
157.3950 2.391750
157.8771 2.329811
158.3592 2.014662
158.8414 2.397152
159.3235 2.781104
159.8056 3.224034
160.2877 3.575801
160.7698 3.658745
161.2519 3.415577
161.7341 2.998008
162.2162 2.557014
162.6983 1.839123
163.1804 0.9076560
163.6625 0.6100150
164.1446 2.1645000E-02
164.6268 0.3667010
165.1089 0.6717600
165.5910 0.7572600
166.0731 2.605163
166.5552 2.330756
167.0373 2.448257
167.5195 3.383124
168.0016 4.327416
168.4837 5.140235
168.9658 5.623707
169.4479 5.791756
169.9300 5.984361
170.4122 6.214298
170.8943 6.461123
171.3764 7.100327
171.8585 7.945860
172.3406 8.109981
172.8227 6.628038
173.3049 3.785005
173.7870 2.199211
174.2691 2.484467
174.7512 3.576185
175.2333 4.873186
175.7154 6.368865
176.1976 7.586500
176.6797 8.277375
177.1618 8.400773
177.6439 7.800182
178.1260 5.651821
178.6081 3.043921
179.0903 1.746464
179.5724 2.197152
180.0545 2.678530
180.5366 1.897829
181.0187 0.4539980
181.5008 0.7133100
181.9830 0.6414170
182.4651 0.8179600
182.9472 0.7833230
183.4293 0.1051110
183.9114 0.5949920
184.3935 0.2694500
184.8757 0.7346120
185.3578 0.5209220
185.8399 0.5522090
186.3220 3.923465
186.8041 6.052402
187.2862 7.007551
187.7684 3.280479
188.2505 5.591821
188.7326 5.478821
189.2147 5.263414
189.6968 8.415886
190.1789 5.354002
190.6611 8.447300
191.1432 9.079122
191.6253 10.83297
192.1074 10.14855
192.5895 10.21316
193.0716 9.114244
193.5538 8.736812
194.0359 9.147198
194.5180 9.683406
195.0001 10.62883
195.4822 11.43833
195.9643 11.90201
196.4465 12.00999
196.9286 11.78203
197.4107 11.13193
197.8928 9.952304
198.3749 9.512527
198.8570 10.30602
199.3392 11.37899
199.8213 12.70429
200.3034 14.24264
200.7855 15.33823
201.2676 15.02018
201.7497 13.24514
202.2319 12.53943
202.7140 14.52885
203.1961 17.03825
203.6782 16.75805
204.1603 13.64758
204.6424 10.98230
205.1246 11.41100
205.6067 14.54450
206.0888 17.44312
206.5709 19.20583
207.0530 20.67735
207.5351 22.63645
208.0173 25.38865
208.4994 27.53803
208.9815 27.55746
209.4636 26.26168
209.9457 25.26653
210.4278 25.43835
210.9100 26.30959
211.3921 26.80518
211.8742 26.47885
212.3563 26.29638
212.8384 26.84200
213.3205 27.89352
213.8027 28.96533
214.2848 29.84174
214.7669 30.54267
215.2490 31.29732
215.7311 32.57703
216.2132 33.13839
216.6954 31.94913
217.1775 29.82578
217.6596 28.16652
218.1417 27.94397
218.6238 28.90037
219.1059 29.20417
219.5881 28.34525
220.0702 27.45027
220.5523 26.74833
221.0344 26.26288
221.5165 25.97118
221.9986 25.94297
222.4808 26.16431
222.9629 26.28036
223.4450 26.33716
223.9271 26.27960
224.4092 26.13247
224.8913 25.86806
225.3735 25.39251
225.8556 24.61241
226.3377 23.57972
226.8198 22.80296
227.3019 22.69588
227.7840 22.42109
228.2662 21.59348
228.7483 20.48553
229.2304 19.59191
229.7125 19.22730
230.1946 19.34910
230.6767 19.53368
231.1589 20.57343
231.6410 20.80658
232.1231 19.08607
232.6052 16.28577
233.0873 14.07963
233.5694 13.51177
234.0516 14.36393
234.5337 15.11865
235.0158 16.35885
235.4979 16.91580
235.9800 15.83241
236.4621 13.78138
236.9443 12.29038
237.4264 12.32673
237.9085 13.45893
238.3906 13.66294
238.8727 12.18523
239.3548 10.75410
239.8370 10.14301
240.3191 10.12099
240.8012 10.07417
241.2833 9.694316
241.7654 9.085032
242.2475 8.657292
242.7297 8.287607
243.2118 8.299235
243.6939 8.860689
244.1760 9.852787
244.6581 11.06842
245.1402 12.93715
245.6224 14.26022
246.1045 12.47792
246.5866 6.318166
247.0687 0.8698570
247.5508 0.9197250
248.0329 0.1827600
248.5151 1.655092
248.9972 2.995309
249.4793 3.879797
249.9614 3.708913
250.4435 2.271538
250.9256 1.177731
251.4078 1.632859
251.8899 3.284648
252.3720 4.632104
252.8541 5.451133
253.3362 5.575360
253.8183 4.827822
254.3005 3.219285
254.7826 1.446562
255.2647 0.7002750
255.7468 0.4843070
256.2289 0.5874010
256.7110 1.029042
257.1931 4.959939
257.6753 4.973159
258.1574 1.608855
258.6395 0.7199310
259.1216 1.6763000E-02
259.6037 1.020679
260.0858 0.5576740
260.5680 0.3900170
261.0501 0.9749980
261.5322 0.7235600
262.0143 0.7011620
262.4964 0.4885940
262.9785 0.4982310
263.4607 0.9300400
263.9428 0.3340990
264.4249 0.1632290
264.9070 0.4628690
265.3891 1.179833
265.8712 4.6510000E-02
266.3534 1.533402
266.8355 3.669870
267.3176 5.954417
267.7997 5.938119
268.2818 1.569176
268.7639 0.5356700
269.2461 0.2849500
269.7282 0.7371180
270.2103 7.3035002E-02
270.6924 2.125108
271.1745 4.306330
271.6566 2.848523
272.1388 4.582154
272.6209 5.384307
273.1030 5.308980
273.5851 1.486383
274.0672 2.687698
274.5493 1.988684
275.0315 1.289044
275.5136 3.427995
275.9957 0.5656950
276.4778 2.822243
276.9599 3.148430
277.4420 4.475758
277.9242 3.890867
278.4063 4.002398
278.8884 6.188615
279.3705 7.352086
279.8526 6.861964
280.3347 8.734649
280.8169 6.613081
281.2990 8.149006
281.7811 11.30909
282.2632 11.32559
282.7453 13.64065
283.2274 12.89793
283.7096 14.15520
284.1917 14.79789
284.6738 14.49604
285.1559 13.91291
285.6380 13.21243
286.1201 12.53901
286.6023 12.18438
287.0844 12.55689
287.5665 13.88453
288.0486 15.03398
288.5307 15.42607
289.0128 16.15487
289.4950 18.19434
289.9771 21.17545
290.4592 23.73768
290.9413 24.48826
291.4234 23.20882
291.9055 23.00065
292.3877 25.31680
292.8698 27.23744
293.3519 27.46703
293.8340 26.54240
294.3161 25.74128
294.7982 25.97671
295.2804 27.16937
295.7625 28.20851
296.2446 29.01134
296.7267 29.72754
297.2088 30.62142
297.6909 31.40278
298.1731 31.45815
298.6552 30.39858
299.1373 28.71141
299.6194 28.26726
300.1015 30.81088
300.5836 32.52833
301.0658 32.40224
301.5479 31.60550
302.0300 31.41590
302.5121 32.33460
302.9942 33.94977
303.4763 35.44455
303.9585 37.03070
304.4406 38.15276
304.9227 38.39311
305.4048 38.32367
305.8869 38.64786
306.3690 39.40070
306.8512 40.35045
307.3333 41.12961
307.8154 41.60632
308.2975 42.35623
308.7796 44.07848
309.2617 45.34472
309.7439 45.05005
310.2260 43.27480
310.7081 40.87572
311.1902 38.44482
311.6723 35.67426
312.1544 35.14198
312.6366 39.06196
313.1187 42.76211
313.6008 44.62852
314.0829 44.67860
314.5650 43.42278
315.0471 40.84619
315.5293 37.05402
316.0114 34.31012
316.4935 33.19850
316.9756 32.53292
317.4577 32.57516
317.9398 32.73900
318.4220 31.84878
318.9041 29.36235
319.3862 26.23531
319.8683 25.20493
320.3504 29.32618
320.8326 31.60596
321.3147 30.77395
321.7968 28.50958
322.2789 26.14719
322.7610 24.19957
323.2431 22.72944
323.7253 21.93255
324.2074 22.06770
324.6895 22.18935
325.1716 21.83884
325.6537 21.50582
326.1358 21.76058
326.6180 22.55025
327.1001 23.46294
327.5822 23.94252
328.0643 23.95917
328.5464 24.23729
329.0285 25.31906
329.5107 26.11942
329.9928 26.25788
330.4749 25.75079
330.9570 24.64695
331.4391 22.82991
331.9212 20.45975
332.4034 19.33170
332.8855 21.02045
333.3676 22.31390
333.8497 22.51105
334.3318 21.95569
334.8139 21.09035
335.2961 20.15412
335.7782 19.05528
336.2603 17.50518
336.7424 14.43002
337.2245 12.59503
337.7066 13.09999
338.1888 14.29931
338.6709 14.67235
339.1530 13.84853
339.6351 12.56711
340.1172 11.82810
340.5993 11.54860
341.0815 12.09717
341.5636 15.07067
342.0457 17.44259
342.5278 16.81402
343.0099 13.67448
343.4920 10.69372
343.9742 10.61406
344.4563 13.67458
344.9384 15.16308
345.4205 13.18843
345.9026 11.39616
346.3847 11.11172
346.8669 11.65383
347.3490 11.60506
347.8311 10.00154
348.3132 7.372387
348.7953 5.915303
349.2774 6.488787
349.7596 6.934336
350.2417 6.593398
350.7238 6.064159
351.2059 6.079716
351.6880 6.877373
352.1701 7.837565
352.6523 7.748621
353.1344 5.996131
353.6165 5.094486
354.0986 6.551804
354.5807 7.950024
355.0628 7.724877
355.5450 5.877018
356.0271 3.612030
356.5092 1.876642
356.9913 0.6712540
357.4734 0.2330170
357.9555 1.186824
358.4377 2.266655
358.9198 3.282202
359.4019 4.016273
359.8840 4.022793
360.3661 2.815207
360.8482 0.8678630
361.3304 0.3947070
361.8125 0.7997470
362.2946 0.8585910
362.7767 0.6654450
363.2588 0.2875640
363.7409 0.3901920
364.2231 1.501876
364.7052 2.323060
365.1873 1.509218
365.6694 1.227262
366.1515 0.1315210
366.6336 0.8475540
367.1158 0.8561100
367.5979 0.2174150
368.0800 0.8828970
368.5621 1.199579
369.0442 1.292673
369.5263 1.098126
370.0085 8.5176997E-02
370.4906 0.8801390
370.9727 1.167979
371.4548 0.9596490
371.9369 0.7474640
372.4190 1.172410
372.9012 1.0080000E-02
373.3833 0.5362890
373.8654 0.4523340
374.3475 0.4779180
374.8296 1.657877
375.3117 1.769251
375.7939 0.7435960
376.2760 3.0576000E-02
376.7581 5.0145000E-02
377.2402 0.4028660
377.7223 1.010821
378.2044 2.909046
378.6866 5.460525
379.1687 5.786657
379.6508 4.602532
380.1329 2.408514
380.6150 0.7554730
381.0971 0.6755290
381.5793 1.629287
382.0614 3.152440
382.5435 3.026332
383.0256 1.080567
383.5077 0.9768730
383.9898 1.742628
384.4720 1.379557
384.9541 1.423440
385.4362 2.280463
385.9183 1.381481
386.4004 0.8406070
386.8825 0.5941040
387.3647 0.4371850
387.8468 0.3234340
388.3289 0.1595240
388.8110 0.3862710
389.2931 1.734329
389.7752 2.519458
390.2574 1.664619
390.7395 0.4491610
391.2216 0.6144940
391.7037 2.501024
392.1858 4.877810
392.6679 6.382339
393.1501 6.889318
393.6322 6.878304
394.1143 5.731984
394.5964 4.671161
395.0785 4.539473
395.5606 5.108501
396.0428 5.468391
396.5249 4.931250
397.0070 3.859867
397.4891 4.241756
397.9712 8.629462
398.4533 11.38135
398.9355 10.68913
399.4176 8.616138
399.8997 7.377041
400.3818 7.662750
400.8639 8.671298
401.3460 9.128165
401.8282 8.507690
402.3103 8.835268
402.7924 10.09460
403.2745 12.16648
403.7566 15.99101
404.2387 20.72290
404.7209 24.04846
405.2030 23.82504
405.6851 20.73783
406.1672 20.12812
406.6493 23.77704
407.1314 27.48140
407.6136 30.68776
408.0957 33.25219
408.5778 34.81585
409.0599 35.23179
409.5420 35.34610
410.0241 36.77668
410.5063 40.04937
410.9884 41.72036
411.4705 38.33023
411.9526 35.72818
412.4347 38.24055
412.9168 45.02084
413.3990 51.40593
413.8811 53.74670
414.3632 53.07002
414.8453 53.06099
415.3274 53.61773
415.8095 55.12165
416.2917 58.74822
416.7738 63.14156
417.2559 66.46711
417.7380 68.09111
418.2201 68.94964
418.7022 69.96427
419.1844 71.03546
419.6665 71.48653
420.1486 70.73646
420.6307 69.86241
421.1128 70.35024
421.5949 72.19384
422.0771 73.87497
422.5592 75.12839
423.0413 75.78463
423.5234 75.07339
424.0055 72.99390
424.4876 71.39921
424.9698 71.99167
425.4519 74.39528
425.9340 75.76595
426.4161 75.36211
426.8982 74.73985
427.3803 74.90442
427.8625 75.31707
428.3446 74.47115
428.8267 71.80097
429.3088 68.67485
429.7909 67.47193
430.2730 69.68707
430.7552 70.43867
431.2373 68.33254
431.7194 65.60493
432.2015 63.61484
432.6836 62.53617
433.1657 62.21870
433.6479 62.67749
434.1300 63.77994
434.6121 64.01945
435.0942 62.37218
435.5763 61.08478
436.0584 60.30952
436.5406 60.09626
437.0227 60.66751
437.5048 62.07043
437.9869 63.92985
438.4690 65.86279
438.9511 68.35764
439.4333 69.16494
439.9154 66.10680
440.3975 63.38733
440.8796 63.17490
441.3617 64.93526
441.8438 67.05369
442.3260 68.60958
442.8081 69.72253
443.2902 70.64194
443.7723 71.21576
444.2544 72.24464
444.7365 74.74526
445.2187 77.40987
445.7008 78.95229
446.1829 79.14023
446.6650 78.87411
447.1471 78.22575
447.6292 77.56143
448.1114 78.57232
448.5935 82.12779
449.0756 86.24340
449.5577 89.60197
450.0398 92.21242
450.5219 93.87461
451.0041 93.33118
451.4862 92.72309
451.9683 94.42530
452.4504 98.02484
452.9325 101.3111
453.4146 103.4142
453.8968 104.5486
454.3789 104.8989
454.8610 104.2851
455.3431 103.7550
455.8252 103.3771
456.3073 103.4385
456.7895 104.4785
457.2716 106.4614
457.7537 108.5000
458.2358 109.8657
458.7179 110.5596
459.2000 110.8746
459.6822 110.5278
460.1643 110.1962
460.6464 109.9129
461.1285 109.8349
461.6106 110.3116
462.0927 111.3413
462.5748 112.4140
463.0569 112.5647
463.5391 111.5666
464.0212 110.2297
464.5033 107.9970
464.9854 105.9673
465.4675 104.7049
465.9496 104.0791
466.4318 103.6945
466.9139 103.3750
467.3960 103.0183
467.8781 102.2243
468.3602 100.7371
468.8423 99.47560
469.3245 99.10433
469.8066 98.80922
470.2887 97.96304
470.7708 96.47430
471.2529 94.62655
471.7350 92.34930
472.2172 89.84511
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