#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:54:21 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1006 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000463.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_1000463
loop_
_publ_author_name
'Cooper, M. A.'
'Hawthorne, F. C.'
_publ_section_title
;
 The effect of differences in coordination on ordering of polyvalent
 cations in close-packed structures: The crystal structure of arakiite and
 comparison with hematolite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1471
_journal_page_last               1482
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source        R070172
_chemical_formula_sum
'Al0.74 As3 Fe1.26 H23 Mg4.23 Mn8.06 O34 Zn0.71'
_chemical_name_mineral           Arakiite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.52
_cell_angle_gamma                90
_cell_length_a                   14.236
_cell_length_b                   8.206
_cell_length_c                   24.225
_cell_volume                     2824.640
_exptl_crystal_density_diffrn    3.467
_cod_original_cell_volume        2824.641
_cod_original_formula_sum
'Zn.71 Mn8.06 Fe1.26 Mg4.23 Al.74 As3 O34 H23'
_cod_database_code               9004545
_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            R070172.rod
_rod_data_source.block           3500000
_rod_database.code               1000463
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 9004545 COD http://www.crystallography.net/cod/9004545.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
183.3885 0.0000000E+00
183.8706 5.5187002E-02
184.3528 2.6489001E-02
184.8349 6.3609998E-03
185.3170 6.0470998E-02
185.7991 0.1715320
186.2812 0.3998950
186.7633 0.6375430
187.2455 0.6929230
187.7276 0.4928970
188.2097 0.1839120
188.6918 2.8664000E-02
189.1739 7.9190005E-03
189.6560 6.1588001E-02
190.1382 0.1810400
190.6203 0.3454990
191.1024 0.4588680
191.5845 0.5066410
192.0666 0.4952980
192.5487 0.4209120
193.0309 0.2724040
193.5130 0.1659430
193.9951 0.2457010
194.4772 0.4998040
194.9593 0.6737960
195.4414 0.7029720
195.9236 0.6423320
196.4057 0.6300530
196.8878 0.5775550
197.3699 0.5538670
197.8520 0.6576480
198.3341 0.8968030
198.8163 1.058445
199.2984 1.031549
199.7805 0.8039530
200.2626 0.7215630
200.7447 0.8074740
201.2268 0.9864690
201.7090 1.129099
202.1911 1.013088
202.6732 1.021032
203.1553 1.284351
203.6374 1.736807
204.1195 1.858324
204.6017 1.567602
205.0838 1.164431
205.5659 0.9582730
206.0480 0.9895610
206.5301 0.9871790
207.0122 0.8824480
207.4944 0.6847320
207.9765 0.4768810
208.4586 0.2252940
208.9407 3.1438999E-02
209.4228 1.2875000E-02
209.9049 0.1999570
210.3871 0.4533710
210.8692 0.7978210
211.3513 1.219500
211.8334 1.386257
212.3155 1.238115
212.7976 0.9345210
213.2798 0.6135410
213.7619 0.2304100
214.2440 3.2860000E-02
214.7261 0.1079790
215.2082 7.5380001E-03
215.6903 9.3060002E-02
216.1725 0.1326260
216.6546 0.1632860
217.1367 0.2499730
217.6188 0.4620590
218.1009 0.5409010
218.5830 0.3572860
219.0651 0.1168230
219.5473 0.3137590
220.0294 0.1266710
220.5115 0.2012460
220.9936 0.3769400
221.4757 0.3155020
221.9578 0.3026710
222.4400 0.4196320
222.9221 0.6807140
223.4042 0.9202800
223.8863 1.173290
224.3684 1.372564
224.8505 1.413633
225.3327 1.171406
225.8148 1.043926
226.2969 1.193104
226.7790 1.669161
227.2611 1.840996
227.7432 1.536186
228.2254 1.105503
228.7075 0.9644950
229.1896 1.261393
229.6717 1.553637
230.1538 1.750101
230.6359 1.844049
231.1181 1.889259
231.6002 1.837486
232.0823 1.782669
232.5644 1.855507
233.0465 2.199511
233.5286 2.391071
234.0108 2.248791
234.4929 1.714443
234.9750 1.539911
235.4571 1.907471
235.9392 2.459568
236.4213 2.824007
236.9035 2.942314
237.3856 2.972471
237.8677 2.908222
238.3498 2.732323
238.8319 2.675798
239.3140 2.809807
239.7962 3.016758
240.2783 3.125269
240.7604 3.036966
241.2425 3.062920
241.7246 3.308250
242.2067 3.796177
242.6889 4.118816
243.1710 4.179371
243.6531 4.138094
244.1352 4.166267
244.6173 4.299879
245.0994 4.457943
245.5816 4.659897
246.0637 4.911287
246.5458 4.997320
247.0279 4.753624
247.5100 4.484837
247.9921 4.493099
248.4743 4.939581
248.9564 5.345142
249.4385 5.612011
249.9206 5.739567
250.4027 5.888693
250.8848 6.085014
251.3670 6.280102
251.8491 6.424314
252.3312 6.501387
252.8133 6.561043
253.2954 6.603777
253.7775 6.633177
254.2597 6.683701
254.7418 6.741255
255.2239 6.826378
255.7060 6.947157
256.1881 7.099401
256.6702 7.325056
257.1523 7.687517
257.6345 8.152576
258.1166 8.420872
258.5987 8.454475
259.0808 8.346146
259.5629 8.126169
260.0450 7.723869
260.5272 7.416265
261.0093 7.259331
261.4914 7.228403
261.9735 7.206276
262.4556 7.230682
262.9377 7.198351
263.4199 7.030144
263.9020 6.690626
264.3841 6.320789
264.8662 5.887114
265.3483 5.440128
265.8304 5.176054
266.3126 5.156710
266.7947 5.187696
267.2768 5.177849
267.7589 5.149839
268.2410 4.994946
268.7231 4.634638
269.2053 4.174179
269.6874 3.954065
270.1695 4.066198
270.6516 4.169146
271.1337 4.037781
271.6158 3.593245
272.0980 3.308992
272.5801 3.254257
273.0622 3.339323
273.5443 3.321430
274.0264 3.173853
274.5085 3.011856
274.9907 2.898664
275.4728 2.842794
275.9549 2.753353
276.4370 2.605400
276.9191 2.439583
277.4012 2.367552
277.8834 2.432074
278.3655 2.513622
278.8476 2.580854
279.3297 2.636877
279.8118 2.520348
280.2939 2.180691
280.7761 1.780514
281.2582 1.579332
281.7403 1.593697
282.2224 1.619852
282.7045 1.564819
283.1866 1.440256
283.6688 1.401104
284.1509 1.467842
284.6330 1.554127
285.1151 1.563421
285.5972 1.495461
286.0793 1.371046
286.5615 1.168825
287.0436 0.9128760
287.5257 0.7136800
288.0078 0.5717950
288.4899 0.4811340
288.9720 0.4641820
289.4542 0.5111680
289.9363 0.5145850
290.4184 0.4183460
290.9005 0.2678390
291.3826 0.1893220
291.8647 0.1852130
292.3469 0.2161310
292.8290 0.2749080
293.3111 0.3475480
293.7932 0.3696400
294.2753 0.3145470
294.7574 0.2118780
295.2396 9.6077003E-02
295.7217 3.0447001E-02
296.2038 0.1115320
296.6859 5.3576998E-02
297.1680 8.7063000E-02
297.6501 0.1529180
298.1323 0.1024840
298.6144 1.1028000E-02
299.0965 0.1595480
299.5786 0.3279400
300.0607 0.4136390
300.5428 0.3019100
301.0250 7.3798999E-02
301.5071 0.1431850
301.9892 0.3530010
302.4713 0.4832250
302.9534 0.3645820
303.4355 7.7000000E-02
303.9177 0.1187290
304.3998 5.9436999E-02
304.8819 0.3646700
305.3640 0.4376620
305.8461 0.2135450
306.3282 3.3936001E-02
306.8104 2.8755000E-02
307.2925 0.1326290
307.7746 0.2491740
308.2567 0.1447910
308.7388 1.4710000E-03
309.2209 2.6279001E-02
309.7031 0.2381690
310.1852 0.4044400
310.6673 0.3095910
311.1494 8.1561998E-02
311.6315 9.6856996E-02
312.1136 0.1744330
312.5958 0.1658120
313.0779 2.3810999E-02
313.5600 0.2350520
314.0421 0.4244650
314.5242 0.3929920
315.0063 0.2591110
315.4885 0.1392690
315.9706 4.3412998E-02
316.4527 7.0739998E-03
316.9348 6.7250002E-03
317.4169 7.7079996E-02
317.8990 0.1698230
318.3812 0.3233320
318.8633 0.4635720
319.3454 0.5312250
319.8275 0.4539790
320.3096 0.3979000
320.7917 0.4260600
321.2739 0.5145650
321.7560 0.6027030
322.2381 0.7221030
322.7202 0.8013190
323.2023 0.7784290
323.6844 0.5471190
324.1666 0.4564210
324.6487 0.7151490
325.1308 1.123766
325.6129 1.369831
326.0950 1.215014
326.5771 1.074396
327.0593 1.099415
327.5414 1.362278
328.0235 1.510695
328.5056 1.383774
328.9877 1.191833
329.4698 1.156519
329.9520 1.510853
330.4341 1.746532
330.9162 1.723103
331.3983 1.428307
331.8804 1.270679
332.3625 1.350513
332.8447 1.482538
333.3268 1.516415
333.8089 1.308367
334.2910 1.273024
334.7731 1.541584
335.2552 2.036180
335.7374 2.319984
336.2195 2.315882
336.7016 2.229179
337.1837 2.169855
337.6658 2.146704
338.1479 2.121492
338.6301 2.090328
339.1122 2.057198
339.5943 2.013737
340.0764 1.933121
340.5585 1.931824
341.0406 2.101475
341.5227 2.462395
342.0049 2.714655
342.4870 2.851851
342.9691 2.898829
343.4512 2.867973
343.9333 2.753897
344.4154 2.640978
344.8976 2.531828
345.3797 2.445108
345.8618 2.509398
346.3439 2.744631
346.8260 3.003702
347.3081 3.140261
347.7903 3.168043
348.2724 3.183069
348.7545 3.199694
349.2366 3.225677
349.7187 3.273052
350.2008 3.343130
350.6830 3.441456
351.1651 3.649057
351.6472 3.885103
352.1293 3.899534
352.6114 3.556910
353.0935 3.228970
353.5757 3.472281
354.0578 4.128544
354.5399 4.659445
355.0220 4.668980
355.5041 4.424889
355.9862 4.216347
356.4684 4.057457
356.9505 3.976889
357.4326 4.071487
357.9147 4.254036
358.3968 4.409981
358.8789 4.359732
359.3611 4.297047
359.8432 4.454344
360.3253 4.827913
360.8074 5.104805
361.2895 4.971083
361.7716 4.686241
362.2538 4.522284
362.7359 4.562975
363.2180 4.691845
363.7001 5.007137
364.1822 5.428261
364.6643 5.649303
365.1465 5.299547
365.6286 4.914539
366.1107 4.803705
366.5928 5.187780
367.0749 5.502783
367.5570 5.621288
368.0392 5.624964
368.5213 5.651754
369.0034 5.730820
369.4855 5.811863
369.9676 5.946119
370.4497 6.208445
370.9319 6.156021
371.4140 5.433998
371.8961 4.611431
372.3782 4.262701
372.8603 4.636724
373.3424 5.065153
373.8246 5.547575
374.3067 6.036335
374.7888 6.117912
375.2709 5.564631
375.7530 4.983389
376.2351 4.795609
376.7173 5.121408
377.1994 5.356701
377.6815 5.475698
378.1636 5.474331
378.6457 5.276155
379.1278 4.823341
379.6100 4.486509
380.0921 4.499132
380.5742 4.843929
381.0563 5.059122
381.5384 5.129688
382.0205 5.126020
382.5027 5.192677
382.9848 5.302429
383.4669 5.171993
383.9490 4.507172
384.4311 3.646091
384.9132 3.484137
385.3954 3.997095
385.8775 4.537622
386.3596 4.527431
386.8417 4.162001
387.3238 3.852499
387.8059 3.703773
388.2881 3.601179
388.7702 3.336403
389.2523 2.995441
389.7344 2.841833
390.2165 3.248875
390.6986 3.784794
391.1808 4.021452
391.6629 3.898891
392.1450 3.645403
392.6271 3.262169
393.1092 2.876875
393.5913 2.660955
394.0735 2.899979
394.5556 3.117579
395.0377 3.033829
395.5198 2.678741
396.0019 2.412415
396.4840 2.466089
396.9662 2.584351
397.4483 2.592293
397.9304 2.349009
398.4125 2.117039
398.8946 1.895548
399.3767 1.715214
399.8589 1.651934
400.3410 1.894369
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401.7873 1.821646
402.2694 1.649900
402.7516 1.605150
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403.7158 1.627573
404.1979 1.670330
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407.0906 1.017597
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410.9475 0.4848190
411.4297 0.4285260
411.9118 0.2492520
412.3939 0.1150910
412.8760 2.5852000E-02
413.3581 8.2529997E-03
413.8402 0.2102720
414.3224 0.5087360
414.8045 0.5718730
415.2866 0.1403350
415.7687 0.3682730
416.2508 0.3761410
416.7329 3.2750000E-03
417.2151 0.2662320
417.6972 5.3640001E-02
418.1793 0.5456500
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419.1435 0.7752190
419.6256 0.6185280
420.1078 0.3253780
420.5899 1.2890000E-02
421.0720 0.1571750
421.5541 3.6621001E-02
422.0362 0.2351590
422.5183 0.2785130
423.0005 0.1641540
423.4826 7.1028002E-02
423.9647 6.2780000E-02
424.4468 7.5692996E-02
424.9289 6.8963997E-02
425.4110 9.3473002E-02
425.8932 2.8628999E-02
426.3753 0.2229900
426.8574 0.5585440
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441.8030 1.808270
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442.7672 1.559689
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445.1778 1.651924
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455.7844 1.6712001E-02
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456.7486 0.4048120
457.2307 0.3953780
457.7128 0.2149720
458.1949 3.4676000E-02
458.6771 2.1576000E-02
459.1592 3.9829998E-03
459.6413 2.2917001E-02
460.1234 9.3728997E-02
460.6055 0.1378480
461.0876 7.5658999E-02
461.5698 5.9319001E-02
462.0519 0.2110120
462.5340 0.4020520
463.0161 0.5643440
463.4982 0.6483420
463.9803 0.6640680
464.4625 0.6574650
464.9446 0.5499760
465.4267 0.4972950
465.9088 0.6219200
466.3909 1.034195
466.8730 1.360395
467.3552 1.485153
467.8373 1.498802
468.3194 1.514774
468.8015 1.530067
469.2836 1.560574
469.7657 1.626389
470.2479 1.718910
470.7300 1.732876
471.2121 1.578503
471.6942 1.493929
472.1763 1.655081
472.6584 2.143362
473.1406 2.432217
473.6227 2.430378
474.1048 2.318853
474.5869 2.361868
475.0690 2.545444
475.5511 2.713619
476.0333 2.804842
476.5154 2.837456
476.9975 2.852041
477.4796 2.854673
477.9617 2.838707
478.4438 2.730244
478.9260 2.597530
479.4081 2.595667
479.8902 2.762413
480.3723 2.975090
480.8544 3.080851
481.3365 3.168808
481.8187 3.390970
482.3008 4.032085
482.7829 4.631712
483.2650 4.852257
483.7471 4.753515
484.2292 4.772821
484.7114 5.255135
485.1935 5.754938
485.6756 5.973112
486.1577 5.634518
486.6398 5.514721
487.1219 5.818480
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