#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:43:59 +0300 (Thu, 07 Jun 2018) $
#$Revision: 965 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000426.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_1000426
loop_
_publ_author_name
'Merlino, S.'
'Orlandi, P.'
_publ_section_title
;
 Carraraite and zaccagnaite, two new minerals from the Carrara marble
 quarries: their chemical compositions, physical properties and structural
 features
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1293
_journal_page_last               1301
_journal_volume                  86
_journal_year                    2001
_chemical_compound_source        R130410
_chemical_formula_sum            'C H2 Al0.333 O5 Zn0.667'
_chemical_name_mineral           Zaccagnaite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.0725
_cell_length_b                   3.0725
_cell_length_c                   15.114
_cell_volume                     123.565
_exptl_crystal_density_diffrn    3.941
_cod_original_formula_sum        '(Al.333 Zn.667) O5 C H2'
_cod_database_code               9002646
_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            R130410.rod
_rod_data_source.block           3500000
_rod_database.code               1000426
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 9002646 COD http://www.crystallography.net/cod/9002646.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
203.6233 0.0000000E+00
204.1054 0.2523800
204.5875 1.291138
205.0696 4.454285
205.5518 8.456604
206.0339 13.22418
206.5160 17.98248
206.9981 21.97430
207.4802 24.96735
207.9623 27.65332
208.4445 30.38898
208.9266 33.09961
209.4087 33.97681
209.8908 32.47534
210.3729 30.12787
210.8550 28.62787
211.3372 28.22510
211.8193 27.71692
212.3014 26.76074
212.7835 25.35211
213.2656 24.04730
213.7477 22.83124
214.2299 21.72333
214.7120 20.70819
215.1941 19.67657
215.6762 18.95490
216.1583 18.46893
216.6404 18.15619
217.1226 19.05438
217.6047 21.78320
218.0868 24.96039
218.5689 26.86877
219.0510 26.98138
219.5331 27.09686
220.0153 27.71216
220.4974 28.89880
220.9795 29.90350
221.4616 30.64551
221.9437 31.33392
222.4258 32.30835
222.9080 33.78259
223.3901 35.10565
223.8722 36.08203
224.3543 36.68146
224.8364 37.16095
225.3185 37.52533
225.8007 37.73077
226.2828 37.67114
226.7649 37.09637
227.2470 36.68610
227.7291 36.67108
228.2112 37.11157
228.6934 37.27917
229.1755 37.15326
229.6576 36.76337
230.1397 36.10065
230.6218 34.90649
231.1039 33.93134
231.5861 33.50458
232.0682 33.78558
232.5503 33.54858
233.0324 32.47717
233.5145 31.20416
233.9966 30.51056
234.4788 30.57922
234.9609 30.95074
235.4430 31.50800
235.9251 32.23468
236.4072 33.28864
236.8893 34.67828
237.3715 36.37341
237.8536 38.38489
238.3357 41.02863
238.8178 43.43317
239.2999 45.30463
239.7820 46.51990
240.2642 47.93732
240.7463 49.99658
241.2284 52.20618
241.7105 53.52167
242.1926 53.95709
242.6747 54.67358
243.1569 55.79352
243.6390 57.24188
244.1211 58.22113
244.6032 58.48651
245.0853 58.55194
245.5674 58.90881
246.0496 59.58990
246.5317 60.45819
247.0138 61.84143
247.4959 63.22137
247.9780 62.99860
248.4601 60.73621
248.9423 57.63586
249.4244 55.08282
249.9065 53.27832
250.3886 51.96338
250.8707 51.11969
251.3528 50.57153
251.8350 49.56000
252.3171 47.60406
252.7992 45.75336
253.2813 45.32513
253.7634 47.36761
254.2455 48.50250
254.7277 47.78967
255.2098 45.17474
255.6919 42.95062
256.1740 40.99829
256.6561 39.54346
257.1382 39.01740
257.6204 40.08386
258.1025 40.42651
258.5846 39.49274
259.0667 37.33624
259.5488 35.04370
260.0309 32.49609
260.5131 30.05627
260.9952 28.16583
261.4773 27.03363
261.9594 25.69904
262.4415 23.84369
262.9236 21.55780
263.4058 20.04675
263.8879 19.63275
264.3700 19.43658
264.8521 18.59796
265.3342 16.70264
265.8163 15.66571
266.2985 16.18182
266.7806 17.82715
267.2627 18.09363
267.7448 16.58014
268.2269 14.49817
268.7090 12.72748
269.1912 11.36017
269.6733 9.738281
270.1554 7.562744
270.6375 5.102783
271.1196 3.649719
271.6017 3.474792
272.0839 3.529175
272.5660 2.931763
273.0481 1.450134
273.5302 0.9491580
274.0123 2.007385
274.4944 3.911011
274.9766 4.501343
275.4587 3.555908
275.9408 2.210449
276.4229 1.096130
276.9050 0.2215580
277.3871 0.5575560
277.8693 1.322998
278.3514 1.905029
278.8335 1.732361
279.3156 0.6367800
279.7977 0.2505490
280.2798 0.1887820
280.7620 0.8301390
281.2441 1.745300
281.7262 2.533386
282.2083 3.173401
282.6904 3.664917
283.1725 4.025269
283.6547 4.098511
284.1368 3.651306
284.6189 2.750977
285.1010 2.111877
285.5831 1.770630
286.0652 1.636963
286.5474 1.650269
287.0295 1.806458
287.5116 1.910278
287.9937 1.715088
288.4758 1.332031
288.9579 1.634888
289.4401 2.769531
289.9222 3.822632
290.4043 3.371277
290.8864 1.617493
291.3685 0.2082520
291.8506 3.9246000E-02
292.3328 0.5015260
292.8149 0.7878420
293.2970 0.8125610
293.7791 0.7118530
294.2612 0.5548100
294.7433 0.3717040
295.2255 0.2922360
295.7076 0.4035640
296.1897 0.6231690
296.6718 0.8896480
297.1539 1.198547
297.6360 1.288879
298.1182 0.7685550
298.6003 0.1432500
299.0824 0.9025270
299.5645 1.247803
300.0466 1.501709
300.5287 2.157654
301.0109 3.169983
301.4930 4.263428
301.9751 5.509338
302.4572 6.652649
302.9393 7.091309
303.4214 6.331665
303.9036 5.539978
304.3857 6.195068
304.8678 7.967163
305.3499 9.667969
305.8320 10.24878
306.3141 10.46973
306.7963 11.30396
307.2784 13.10419
307.7605 14.99780
308.2426 16.35681
308.7247 17.25134
309.2068 17.85596
309.6890 18.00580
310.1711 18.02582
310.6532 18.17456
311.1353 18.47321
311.6174 18.84271
312.0995 19.41144
312.5817 19.96875
313.0638 20.19843
313.5459 19.25244
314.0280 18.48108
314.5101 19.10443
314.9922 21.32263
315.4744 22.91541
315.9565 22.24127
316.4386 20.57660
316.9207 19.37903
317.4028 19.49249
317.8849 19.83630
318.3671 20.16510
318.8492 20.46039
319.3313 20.34967
319.8134 18.99829
320.2955 17.55707
320.7776 16.94781
321.2598 18.37842
321.7419 19.55804
322.2240 19.78558
322.7061 19.22528
323.1882 18.79645
323.6703 18.92188
324.1525 19.03735
324.6346 18.79578
325.1167 17.26001
325.5988 16.59735
326.0809 17.71472
326.5630 19.91510
327.0452 21.28699
327.5273 21.19373
328.0094 20.70538
328.4915 20.09998
328.9736 19.05182
329.4557 18.63898
329.9379 19.23389
330.4200 20.34882
330.9021 21.25537
331.3842 22.58228
331.8663 22.82959
332.3484 21.04779
332.8306 16.64728
333.3127 14.22498
333.7948 14.50861
334.2769 16.11279
334.7590 17.67139
335.2411 19.55414
335.7233 20.43011
336.2054 19.68170
336.6875 17.50781
337.1696 16.37561
337.6517 16.50989
338.1339 17.18420
338.6160 17.86658
339.0981 18.61200
339.5802 19.17261
340.0623 19.44006
340.5444 19.54559
341.0266 19.99091
341.5087 20.93335
341.9908 21.60712
342.4729 21.19501
342.9550 19.67902
343.4371 19.16846
343.9193 19.97882
344.4014 21.46741
344.8835 22.49750
345.3656 23.08087
345.8477 23.78650
346.3298 25.10236
346.8120 26.80725
347.2941 27.82489
347.7762 28.05627
348.2583 28.30493
348.7404 29.87402
349.2225 32.39447
349.7047 34.26733
350.1868 34.43671
350.6689 33.74963
351.1510 33.55475
351.6331 33.85602
352.1152 34.64465
352.5974 35.88049
353.0795 37.58679
353.5616 39.90637
354.0437 43.35858
354.5258 46.78546
355.0079 48.97418
355.4901 50.10712
355.9722 51.03711
356.4543 51.85461
356.9364 52.94452
357.4185 54.79364
357.9006 57.69916
358.3828 60.81256
358.8649 64.06189
359.3470 67.13422
359.8291 69.44855
360.3112 69.71814
360.7933 69.92987
361.2755 71.37781
361.7576 74.32294
362.2397 77.39319
362.7218 80.58887
363.2039 83.43866
363.6860 85.42090
364.1682 85.20026
364.6503 85.26190
365.1324 86.64697
365.6145 89.31122
366.0966 91.48407
366.5787 93.51715
367.0609 94.57361
367.5430 94.11835
368.0251 91.40668
368.5072 87.98718
368.9893 83.03613
369.4714 77.32953
369.9536 73.62036
370.4357 73.76855
370.9178 73.95819
371.3999 72.62421
371.8820 69.04193
372.3641 65.83942
372.8463 63.45239
373.3284 61.18176
373.8105 57.69061
374.2926 52.04095
374.7747 47.27667
375.2568 44.49084
375.7390 43.69653
376.2211 42.30963
376.7032 40.12939
377.1853 37.73169
377.6674 35.55878
378.1495 33.59174
378.6317 31.99042
379.1138 30.93304
379.5959 30.16730
380.0780 28.95135
380.5601 27.29517
381.0422 25.17316
381.5244 22.22058
382.0065 18.65619
382.4886 15.75647
382.9707 13.63013
383.4528 12.22974
383.9349 11.89777
384.4171 12.41302
384.8992 12.54175
385.3813 11.16870
385.8634 9.184509
386.3455 8.274658
386.8276 8.527527
387.3098 8.808838
387.7919 7.792053
388.2740 6.155884
388.7561 5.147156
389.2382 5.701172
389.7203 6.493164
390.2025 6.246094
390.6846 5.172485
391.1667 4.314148
391.6488 4.812012
392.1309 5.464050
392.6130 5.117859
393.0952 2.968567
393.5773 1.114136
394.0594 0.7277830
394.5415 1.236450
395.0236 1.572021
395.5057 1.333496
395.9879 0.9505000
396.4700 0.5564580
396.9521 0.1526490
397.4342 0.1299440
397.9163 0.1511230
398.3984 8.8317998E-02
398.8806 0.1047360
399.3627 0.2440800
399.8448 0.4301760
400.3269 0.8137210
400.8090 1.316895
401.2911 1.309937
401.7733 0.3853150
402.2554 0.5629880
402.7375 0.9953610
403.2196 0.4679570
403.7017 0.6267700
404.1838 1.879517
404.6660 3.529114
405.1481 4.079956
405.6302 3.202332
406.1123 2.453918
406.5944 2.218872
407.0765 2.523315
407.5587 4.107239
408.0408 7.287109
408.5229 10.55469
409.0050 12.10846
409.4871 12.06451
409.9692 12.34692
410.4514 13.45367
410.9335 15.02264
411.4156 16.26801
411.8977 17.21472
412.3798 18.34583
412.8619 20.39551
413.3441 22.76477
413.8262 24.20746
414.3083 24.48035
414.7904 24.41229
415.2725 24.24005
415.7546 24.35480
416.2368 25.57336
416.7189 29.57867
417.2010 33.88354
417.6831 36.68005
418.1652 37.93427
418.6473 38.26392
419.1295 37.05731
419.6116 35.53027
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420.5758 35.49994
421.0579 36.44067
421.5400 37.29694
422.0222 38.10083
422.5043 38.96533
422.9864 40.33545
423.4685 41.40802
423.9506 41.90723
424.4327 41.77393
424.9149 41.19922
425.3970 39.73914
425.8791 38.10663
426.3612 36.98761
426.8433 36.51807
427.3254 36.33319
427.8076 36.33868
428.2897 36.55774
428.7718 37.26038
429.2539 38.70404
429.7360 40.16357
430.2181 41.11176
430.7003 41.70435
431.1824 41.15753
431.6645 38.91809
432.1466 36.41724
432.6287 36.43066
433.1108 39.01074
433.5930 41.57922
434.0751 43.20947
434.5572 44.13300
435.0393 44.60559
435.5214 44.59454
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444.6816 93.73590
445.1638 97.49976
445.6459 100.8511
446.1280 103.1972
446.6101 103.2995
447.0922 103.4362
447.5743 104.7165
448.0565 107.7374
448.5386 110.2953
449.0207 112.2590
449.5028 113.8958
449.9849 115.5304
450.4670 117.2247
450.9492 118.5157
451.4313 119.2946
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453.8419 116.2241
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460.1094 81.68268
460.5915 75.23193
461.0736 70.17664
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462.0378 65.47809
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500.6072 2.6489001E-02
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501.5714 1.404907
502.0535 0.1369630
502.5356 1.932129
503.0178 2.872314
503.4999 1.311157
503.9820 6.4087003E-02
504.4641 0.5102540
504.9462 3.6599999E-04
505.4283 0.2423100
505.9105 6.6528000E-02
506.3926 0.2443850
506.8747 0.4779050
507.3568 2.366455
507.8389 3.156372
508.3210 2.415039
508.8032 0.8679200
509.2853 0.3703610
509.7674 1.297119
510.2495 1.943115
510.7316 2.392578
511.2137 2.523438
511.6959 1.734741
512.1780 0.1124270
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516.9991 1.228760
517.4813 3.033936
517.9634 3.057617
518.4455 1.527588
518.9276 0.5264890
519.4097 0.7642820
519.8918 1.168091
520.3740 1.362305
520.8561 1.373169
521.3382 1.098267
521.8203 0.4318850
522.3024 0.3618160
522.7845 1.010986
523.2667 1.495483
523.7488 1.834717
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526.1594 1.519531
526.6415 2.211914
527.1236 3.308960
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528.0878 4.577515
528.5699 4.719360
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1298.992 2.8441999E-02
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1301.403 0.9451900
1301.885 0.0000000E+00
