#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:28:53 +0300 (Thu, 26 Apr 2018) $
#$Revision: 481 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000038.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_1000038
loop_
_publ_author_name
'Dzikowski, T. J.'
'Groat, L. A.'
'Jambor, J. L.'
_publ_section_title
;
 The symmetry and crystal structure of gorceixite, BaAl3[PO3(O,OH)]2(OH)6,
 a member of the alunite supergroup Locality: Rapid Creek area, Yukon
 Territory, Canada
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              951
_journal_page_last               958
_journal_paper_doi               10.2113/gscanmin.44.4.951
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        R060158
_chemical_formula_sum            'Al3 Ba0.882 H7 O14 P2'
_chemical_name_mineral           Gorceixite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.0538
_cell_length_b                   7.0538
_cell_length_c                   17.2746
_cell_volume                     744.363
_exptl_crystal_density_diffrn    3.313
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ba.882 Al3 P2 O14 H7'
_cod_database_code               9010576
_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            R060158.rod
_rod_data_source.block           3500000
_rod_database.code               1000038
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 9010576 COD http://www.crystallography.net/cod/9010576.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
148.9151 0.0000000E+00
149.3972 0.7338180
149.8793 0.9376600
150.3615 2.6733000E-02
150.8436 0.2904660
151.3257 0.3099370
151.8078 1.512672
152.2899 2.668762
152.7720 3.841202
153.2542 4.783035
153.7363 5.245781
154.2184 5.480980
154.7005 5.877121
155.1826 6.666992
155.6647 7.823357
156.1469 9.107269
156.6290 10.49675
157.1111 12.05651
157.5932 13.79256
158.0753 15.70819
158.5574 17.81364
159.0396 20.15428
159.5217 22.77508
160.0038 25.17796
160.4859 27.17808
160.9680 29.15897
161.4501 31.18127
161.9323 33.29885
162.4144 35.62856
162.8965 38.30355
163.3786 41.48015
163.8607 44.50165
164.3428 47.26080
164.8250 49.94122
165.3071 52.63196
165.7892 55.34203
166.2713 58.07158
166.7534 60.87634
167.2355 63.78604
167.7177 66.50035
168.1998 68.81144
168.6819 70.98486
169.1640 73.35193
169.6461 75.98916
170.1282 78.78218
170.6104 81.66251
171.0925 84.61348
171.5746 87.43958
172.0567 90.00433
172.5388 92.37131
173.0209 94.76539
173.5031 97.37755
173.9852 99.78066
174.4673 101.7669
174.9494 103.3348
175.4315 104.4871
175.9136 104.9485
176.3958 104.6989
176.8779 104.9796
177.3600 106.4323
177.8421 107.8958
178.3242 108.9490
178.8063 109.5627
179.2885 109.5429
179.7706 108.4520
180.2527 106.0905
180.7348 103.9290
181.2169 102.5669
181.6990 100.7437
182.1812 97.66509
182.6633 93.32250
183.1454 88.37374
183.6275 83.83648
184.1096 80.05510
184.5917 76.03627
185.0738 71.57407
185.5560 67.04906
186.0381 62.74104
186.5202 58.71982
187.0023 54.86861
187.4844 51.01019
187.9665 46.97609
188.4487 43.21565
188.9308 39.89325
189.4129 36.77514
189.8950 33.58589
190.3771 30.25427
190.8592 26.99373
191.3414 24.25491
191.8235 22.25567
192.3056 20.38869
192.7877 18.70699
193.2698 17.10288
193.7519 15.37462
194.2341 13.41523
194.7162 11.42924
195.1983 9.852081
195.6804 8.662430
196.1625 7.714577
196.6446 7.165962
197.1268 6.827469
197.6089 6.222015
198.0910 5.088287
198.5731 3.781960
199.0552 2.867188
199.5373 2.367805
200.0195 1.988319
200.5016 1.576981
200.9837 1.148544
201.4658 0.7829130
201.9479 0.5024490
202.4300 0.3034900
202.9122 0.2184600
203.3943 0.2659840
203.8764 0.2362370
204.3585 0.1287000
204.8406 0.8267820
205.3227 1.351387
205.8048 1.528786
206.2870 1.508530
206.7691 1.319092
207.2512 0.9838180
207.7333 0.6482390
208.2154 0.4709780
208.6975 0.4728010
209.1797 0.4985890
209.6618 0.5132680
210.1439 0.5723950
210.6260 0.7275090
211.1081 0.9817200
211.5902 1.276459
212.0724 1.569687
212.5545 1.920990
213.0366 2.072571
213.5187 1.936760
214.0008 1.668579
214.4829 1.326210
214.9651 0.9354780
215.4472 0.5221560
215.9293 0.1669010
216.4114 9.4481997E-02
216.8935 0.4291610
217.3756 1.841484
217.8578 3.321182
218.3399 4.215630
218.8220 4.422310
219.3041 4.411255
219.7862 4.898262
220.2683 6.146286
220.7505 7.441483
221.2326 8.839493
221.7147 10.24914
222.1968 11.59534
222.6789 12.86285
223.1610 14.09048
223.6432 15.31631
224.1253 16.39901
224.6074 17.83500
225.0895 19.72144
225.5716 21.90005
226.0537 24.26147
226.5358 26.77880
227.0180 29.39467
227.5001 32.02608
227.9822 34.62483
228.4643 37.39671
228.9464 40.29816
229.4285 43.40279
229.9107 46.82822
230.3928 50.60558
230.8749 54.49216
231.3570 58.11662
231.8391 61.43752
232.3212 64.92265
232.8034 68.69282
233.2855 72.63736
233.7676 76.61635
234.2497 80.60299
234.7318 84.65881
235.2139 88.94440
235.6961 93.42052
236.1782 97.75148
236.6603 101.6386
237.1424 105.3890
237.6245 109.5339
238.1066 114.2410
238.5888 119.0999
239.0709 123.8088
239.5530 128.3932
240.0351 132.9898
240.5172 137.5457
240.9993 142.1607
241.4815 147.0006
241.9636 152.0525
242.4457 157.4868
242.9278 163.8333
243.4099 170.6609
243.8920 177.0270
244.3742 182.0618
244.8563 186.4194
245.3384 191.7752
245.8205 198.6842
246.3026 205.3161
246.7847 210.5338
247.2668 214.8291
247.7490 218.9605
248.2311 223.4696
248.7132 227.9295
249.1953 231.4308
249.6774 234.0267
250.1595 235.4017
250.6417 235.5270
251.1238 234.5312
251.6059 232.5587
252.0880 229.7656
252.5701 225.9214
253.0522 220.2811
253.5344 212.3164
254.0165 203.5135
254.4986 193.9926
254.9807 184.1693
255.4628 174.4242
255.9449 164.9734
256.4271 155.6735
256.9092 146.0428
257.3913 135.7194
257.8734 125.8397
258.3555 116.4207
258.8376 107.5603
259.3198 99.28142
259.8019 91.62495
260.2840 84.59595
260.7661 78.24941
261.2482 72.80338
261.7303 67.71279
262.2125 62.72123
262.6946 57.98040
263.1767 53.68479
263.6588 49.88555
264.1409 46.49892
264.6230 43.35741
265.1052 40.56954
265.5873 37.85891
266.0694 34.98172
266.5515 32.28813
267.0336 30.07497
267.5157 28.40176
267.9979 27.09017
268.4800 25.90092
268.9621 24.88664
269.4442 23.87836
269.9263 22.76642
270.4084 21.73000
270.8906 20.87852
271.3727 20.25597
271.8548 19.87263
272.3369 19.76126
272.8190 20.02715
273.3011 20.23789
273.7833 20.37079
274.2654 20.46182
274.7475 20.39668
275.2296 20.26294
275.7117 20.42248
276.1938 21.30460
276.6760 23.08731
277.1581 24.50842
277.6402 25.65366
278.1223 26.46260
278.6044 26.76612
279.0865 26.67757
279.5686 26.55369
280.0508 26.72519
280.5329 27.21057
281.0150 27.07365
281.4971 26.30439
281.9792 25.06947
282.4613 23.21812
282.9435 20.93422
283.4256 18.57486
283.9077 16.35287
284.3898 14.26043
284.8719 12.37317
285.3540 10.65017
285.8362 9.127041
286.3183 7.915394
286.8004 6.901508
287.2825 5.867554
287.7646 4.687180
288.2467 3.450035
288.7289 2.462326
289.2110 1.800644
289.6931 1.270985
290.1752 0.9548610
290.6573 0.7307970
291.1394 0.4058760
291.6216 0.1013790
292.1037 0.6703340
292.5858 1.068851
293.0679 1.356804
293.5500 1.310734
294.0321 1.142769
294.5143 1.028660
294.9964 0.9653780
295.4785 1.105583
295.9606 0.9823650
296.4427 0.9643860
296.9248 0.9505200
297.4070 0.7894740
297.8891 0.8985210
298.3712 0.3193550
298.8533 0.1152340
299.3354 0.3161770
299.8175 0.5452230
300.2997 1.114323
300.7818 2.108704
301.2639 2.774414
301.7460 2.840141
302.2281 2.793224
302.7102 2.896626
303.1924 3.184151
303.6745 3.666477
304.1566 4.400394
304.6387 5.367458
305.1208 6.184822
305.6029 6.747322
306.0851 7.281593
306.5672 8.018635
307.0493 8.848160
307.5314 9.349888
308.0135 9.181511
308.4956 8.588657
308.9778 8.665379
309.4599 9.902412
309.9420 11.06708
310.4241 11.65539
310.9062 11.90606
311.3883 12.28047
311.8705 12.97634
312.3526 13.85871
312.8347 14.64247
313.3168 15.38078
313.7989 15.93696
314.2810 16.08546
314.7632 16.10402
315.2453 16.38988
315.7274 17.05765
316.2095 17.88691
316.6916 18.60072
317.1737 19.18884
317.6559 19.69817
318.1380 20.05274
318.6201 20.37700
319.1022 20.80197
319.5843 21.34111
320.0664 21.88886
320.5485 22.34673
321.0306 22.70324
321.5128 23.07355
321.9949 23.29200
322.4770 23.66134
322.9591 24.53496
323.4412 25.80162
323.9233 26.90331
324.4055 27.39479
324.8876 27.41042
325.3697 27.89793
325.8518 28.93748
326.3339 30.27191
326.8160 31.98372
327.2982 33.91786
327.7803 35.73307
328.2624 37.24590
328.7445 38.61409
329.2266 40.29460
329.7087 42.51263
330.1909 44.59129
330.6730 46.29760
331.1551 47.82786
331.6372 49.40146
332.1193 51.08030
332.6014 52.87904
333.0836 54.83589
333.5657 56.98148
334.0478 59.22616
334.5299 61.62688
335.0120 64.07545
335.4941 66.58459
335.9763 69.10277
336.4584 71.41766
336.9405 73.26093
337.4226 74.57985
337.9047 76.19734
338.3868 78.19110
338.8690 80.37683
339.3511 82.74155
339.8332 85.25819
340.3153 87.83879
340.7974 90.42578
341.2795 92.95377
341.7617 95.06161
342.2438 96.29903
342.7259 97.72826
343.2080 99.87914
343.6901 102.3047
344.1722 104.2732
344.6544 105.4686
345.1365 106.2629
345.6186 107.4317
346.1007 109.6094
346.5828 111.1572
347.0649 111.6906
347.5471 111.8149
348.0292 112.1307
348.5113 112.6993
348.9934 113.0526
349.4755 112.6183
349.9576 111.2058
350.4398 109.8022
350.9219 108.4553
351.4040 107.0157
351.8861 105.4875
352.3682 103.8631
352.8503 102.0601
353.3325 99.97626
353.8146 97.62798
354.2967 95.35798
354.7788 93.32370
355.2609 91.26555
355.7430 89.05849
356.2252 86.77755
356.7073 84.50297
357.1894 82.28748
357.6715 80.11803
358.1536 77.92944
358.6357 75.89714
359.1179 73.54467
359.5999 70.55848
360.0821 67.43802
360.5642 64.61420
361.0463 62.15474
361.5284 59.85210
362.0105 57.43115
362.4926 54.87533
362.9748 52.26422
363.4569 49.55381
363.9390 46.84352
364.4211 44.06883
364.9032 41.30716
365.3853 38.81011
365.8675 36.80336
366.3496 35.22240
366.8317 33.44026
367.3138 31.18698
367.7959 29.07515
368.2780 27.15298
368.7602 25.47503
369.2423 24.14189
369.7244 23.21267
370.2065 22.52258
370.6886 21.72327
371.1707 20.69408
371.6529 19.87339
372.1350 19.64224
372.6171 19.39582
373.0992 18.64948
373.5813 17.38157
374.0634 16.01171
374.5456 14.99535
375.0277 14.35390
375.5098 13.62189
375.9919 12.54154
376.4740 11.65687
376.9561 11.38027
377.4383 11.48206
377.9204 11.43673
378.4025 10.90638
378.8846 10.04205
379.3667 9.242046
379.8488 8.498840
380.3310 7.843155
380.8131 7.335678
381.2952 6.897385
381.7773 6.471268
382.2594 6.056320
382.7415 5.587467
383.2237 4.891891
383.7058 3.970818
384.1879 3.353584
384.6700 3.309555
385.1521 3.483429
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387.0806 3.123600
387.5627 2.491692
388.0448 2.188755
388.5269 2.348396
389.0091 2.524944
389.4912 2.325924
389.9733 1.897392
390.4554 1.554985
390.9375 1.441959
391.4196 1.364555
391.9018 1.102859
392.3839 0.6826860
392.8660 0.3604160
393.3481 0.2759060
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399.1335 1.114685
399.6156 0.7116200
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405.4010 0.7307850
405.8831 0.4134410
406.3652 7.5714000E-02
406.8474 5.6168001E-02
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411.6685 5.0636001E-02
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415.0433 1.3653000E-02
415.5255 6.7936003E-02
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420.3466 1.875687
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421.3109 1.897732
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422.2751 2.971272
422.7572 3.536282
423.2393 3.985863
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438.1849 23.26412
438.6671 23.85525
439.1492 24.68393
439.6313 25.72819
440.1134 26.84324
440.5955 28.19582
441.0776 29.41572
441.5598 30.36132
442.0418 31.20378
442.5240 32.10461
443.0061 33.10530
443.4882 34.16245
443.9703 35.23148
444.4524 36.34778
444.9345 37.32308
445.4167 37.97904
445.8988 38.66695
446.3809 39.55783
446.8630 40.56372
447.3451 41.53201
447.8272 42.38365
448.3094 43.10222
448.7915 43.60182
449.2736 43.76896
449.7557 44.08402
450.2378 44.81143
450.7199 45.61520
451.2021 46.26312
451.6842 46.72133
452.1663 47.09474
452.6484 47.47329
453.1305 47.88215
453.6126 48.28877
454.0948 48.68700
454.5769 48.98429
455.0590 49.08630
455.5411 49.02678
456.0232 48.87594
456.5053 48.56461
456.9875 48.30292
457.4696 48.38889
457.9517 48.72236
458.4338 48.80549
458.9159 48.40164
459.3980 47.83572
459.8802 47.63302
460.3623 47.83837
460.8444 47.91148
461.3265 47.72105
461.8086 47.37710
462.2907 46.86736
462.7729 46.24220
463.2550 45.78017
463.7371 45.70200
464.2192 45.92685
464.7013 45.95655
465.1834 45.35704
465.6656 45.28903
466.1477 45.43078
466.6298 45.54517
467.1119 45.60753
467.5940 45.44302
468.0761 45.52095
468.5583 45.49557
469.0404 45.48718
469.5225 44.94817
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