#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:40:31 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1216 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000630.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_1000630
loop_
_publ_author_name
'Araki, T.'
'Finney, J. J.'
'Zoltai, T.'
_publ_section_title
;
 The crystal structure of augelite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1096
_journal_page_last               1103
_journal_volume                  53
_journal_year                    1968
_chemical_compound_source        R050316
_chemical_formula_sum            'Al2 H3 O7 P'
_chemical_name_mineral           Augelite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.25
_cell_angle_gamma                90
_cell_length_a                   13.124
_cell_length_b                   7.988
_cell_length_c                   5.066
_cell_volume                     491.547
_exptl_crystal_density_diffrn    2.702
_cod_original_formula_sum        'Al2 P O7 H3'
_cod_database_code               9000172
_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            R050316.rod
_rod_data_source.block           3500000
_rod_database.code               1000630
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 9000172 COD http://www.crystallography.net/cod/9000172.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
106.0227 0.0000000E+00
106.5048 0.6910710
106.9869 1.344879
107.4691 2.509644
107.9512 1.832321
108.4333 0.3485410
108.9154 0.6523280
109.3975 0.8575590
109.8796 0.2283630
110.3617 0.6637270
110.8439 1.731339
111.3260 3.064194
111.8081 4.855438
112.2902 7.024048
112.7723 9.221603
113.2544 10.87898
113.7366 11.07515
114.2187 12.50537
114.7008 15.71170
115.1829 19.74641
115.6650 23.77850
116.1471 27.52251
116.6293 31.16205
117.1114 35.13347
117.5935 39.36073
118.0756 43.95067
118.5577 48.78427
119.0398 53.97731
119.5220 59.95488
120.0041 67.06558
120.4862 74.95932
120.9683 82.57823
121.4504 89.53702
121.9325 96.82260
122.4147 105.4890
122.8968 115.6677
123.3789 125.5924
123.8610 134.6364
124.3431 142.8376
124.8252 150.1078
125.3074 156.4974
125.7895 161.8418
126.2716 165.6510
126.7537 167.1888
127.2358 168.3243
127.7179 170.3704
128.2001 172.3511
128.6822 173.0804
129.1643 171.8656
129.6464 168.7099
130.1285 163.8785
130.6106 156.3683
131.0928 147.9022
131.5749 138.3474
132.0570 128.1169
132.5391 117.7811
133.0212 107.8473
133.5033 98.22394
133.9855 89.65268
134.4676 81.72090
134.9497 74.89362
135.4318 69.24345
135.9139 64.85452
136.3960 62.00732
136.8782 61.15730
137.3603 62.61586
137.8424 65.34430
138.3245 69.33423
138.8066 74.54967
139.2887 81.11824
139.7709 89.17618
140.2530 98.07529
140.7351 107.0377
141.2172 115.9869
141.6993 125.4623
142.1814 135.8463
142.6636 146.9174
143.1457 157.9819
143.6278 168.8551
144.1099 179.6272
144.5920 190.2126
145.0741 200.6057
145.5563 211.5851
146.0384 224.0890
146.5205 238.2917
147.0026 252.3170
147.4847 265.5134
147.9668 278.6846
148.4490 292.2785
148.9311 306.3405
149.4132 320.7733
149.8953 335.5135
150.3774 350.5749
150.8595 366.5681
151.3417 383.1832
151.8238 400.5183
152.3059 418.1587
152.7880 436.0054
153.2701 454.5911
153.7522 473.9035
154.2344 495.0593
154.7165 515.9099
155.1986 536.0821
155.6807 556.1180
156.1628 576.8189
156.6449 598.5608
157.1271 621.0583
157.6092 643.1079
158.0913 666.0213
158.5734 687.3689
159.0555 706.3738
159.5376 723.2283
160.0198 738.6899
160.5019 753.6996
160.9840 766.9847
161.4661 775.3840
161.9482 778.7327
162.4303 777.8501
162.9125 773.4032
163.3946 765.3940
163.8767 752.8804
164.3588 734.1725
164.8409 710.7906
165.3230 685.2079
165.8052 657.7282
166.2873 628.3563
166.7694 597.0623
167.2515 563.1181
167.7336 529.4679
168.2157 496.9002
168.6979 465.4553
169.1800 435.0598
169.6621 405.5516
170.1442 377.1697
170.6263 350.4188
171.1084 325.4953
171.5906 302.2421
172.0727 280.1114
172.5548 259.3260
173.0369 240.1864
173.5190 222.9653
174.0011 207.5365
174.4833 192.8751
174.9654 179.0057
175.4475 165.9330
175.9296 153.7475
176.4117 142.3935
176.8938 131.6558
177.3760 121.3854
177.8581 111.5748
178.3402 102.5660
178.8223 94.49361
179.3044 86.99023
179.7865 80.11754
180.2687 73.76711
180.7508 67.70564
181.2329 61.73892
181.7150 55.82802
182.1971 50.65794
182.6792 46.61464
183.1614 42.87735
183.6435 38.87172
184.1256 34.62733
184.6077 30.68434
185.0898 27.58268
185.5719 25.41335
186.0540 23.22169
186.5362 20.89247
187.0183 18.59358
187.5004 16.53729
187.9825 14.75024
188.4646 13.00607
188.9467 10.96469
189.4289 8.750137
189.9110 6.862251
190.3931 5.589203
190.8752 4.660683
191.3573 3.658287
191.8394 2.539825
192.3216 1.382149
192.8037 0.2266240
193.2858 0.9167020
193.7679 2.031662
194.2500 3.224785
194.7321 4.392433
195.2143 5.189484
195.6964 5.421120
196.1785 5.543304
196.6606 6.004608
197.1427 6.586472
197.6248 6.777344
198.1070 5.997711
198.5891 4.392273
199.0712 3.474960
199.5533 4.054695
200.0354 4.457336
200.5175 3.972633
200.9997 2.807800
201.4818 1.487679
201.9639 0.4417340
202.4460 0.3176270
202.9281 1.307770
203.4102 2.290390
203.8924 3.755203
204.3745 5.985481
204.8566 8.865364
205.3387 12.09846
205.8208 15.50820
206.3029 19.18987
206.7851 22.23056
207.2672 24.66476
207.7493 26.52634
208.2314 27.43732
208.7135 27.66597
209.1956 27.92641
209.6778 28.85213
210.1599 30.51004
210.6420 32.41154
211.1241 34.55452
211.6062 36.87886
212.0883 39.45028
212.5705 42.21074
213.0526 44.93437
213.5347 47.34875
214.0168 49.38612
214.4989 52.15838
214.9810 55.91898
215.4632 60.14336
215.9453 64.52912
216.4274 69.06306
216.9095 73.83694
217.3916 78.94757
217.8737 84.42838
218.3559 89.92848
218.8380 95.10785
219.3201 100.5731
219.8022 106.7619
220.2843 113.7142
220.7664 121.4852
221.2486 130.1021
221.7307 139.6584
222.2128 150.1688
222.6949 162.4528
223.1770 175.3814
223.6591 188.2718
224.1413 201.3703
224.6234 212.3199
225.1055 220.3163
225.5876 224.8066
226.0697 223.6785
226.5518 215.1488
227.0340 201.3086
227.5161 184.0975
227.9982 162.3442
228.4803 141.2871
228.9624 123.1997
229.4445 107.9306
229.9267 95.60538
230.4088 86.68197
230.8909 80.50008
231.3730 76.16438
231.8551 74.02092
232.3372 72.99638
232.8194 72.56018
233.3015 72.86773
233.7836 74.40244
234.2657 77.74771
234.7478 81.82234
235.2299 83.91370
235.7121 82.62036
236.1942 82.18039
236.6763 84.02160
237.1584 87.12689
237.6405 90.44516
238.1227 93.51864
238.6048 96.65314
239.0869 100.6535
239.5690 105.9974
240.0511 111.4613
240.5332 116.6984
241.0154 121.9566
241.4975 127.3073
241.9796 132.7673
242.4617 138.5887
242.9438 145.3589
243.4259 153.5600
243.9081 162.1155
244.3902 170.6879
244.8723 179.5847
245.3544 188.9987
245.8365 199.0617
246.3186 209.8589
246.8007 221.7157
247.2829 234.9323
247.7650 248.8325
248.2471 264.1087
248.7292 279.6292
249.2113 295.0256
249.6934 310.0049
250.1756 323.4100
250.6577 333.1048
251.1398 339.6378
251.6219 340.5076
252.1040 335.3303
252.5861 324.9525
253.0683 309.3735
253.5504 288.8995
254.0325 264.9856
254.5146 239.7370
254.9967 211.4130
255.4788 185.4099
255.9610 161.9427
256.4431 140.9112
256.9252 122.1411
257.4073 105.4596
257.8894 90.71650
258.3716 77.70891
258.8537 66.77526
259.3358 57.60258
259.8179 50.89554
260.3000 45.43058
260.7821 40.19057
261.2643 34.96937
261.7464 30.09586
262.2285 25.88000
262.7106 22.39667
263.1927 19.55791
263.6748 17.75433
264.1570 16.35986
264.6391 14.89917
265.1212 13.31397
265.6033 11.73866
266.0854 10.27480
266.5675 8.947540
267.0497 7.884224
267.5318 7.265663
268.0139 6.794922
268.4960 6.256588
268.9781 5.638664
269.4602 5.001595
269.9424 4.374195
270.4245 3.768829
270.9066 3.222107
271.3887 2.731861
271.8708 2.301311
272.3529 1.962276
272.8351 1.705887
273.3172 1.437031
273.7993 1.049706
274.2814 0.6245880
274.7635 0.3866270
275.2456 0.4432450
275.7278 0.5752300
276.2099 0.6643140
276.6920 0.7086870
277.1741 0.6821750
277.6562 0.5302240
278.1383 0.3263660
278.6204 0.2542460
279.1025 0.4270400
279.5847 0.4825940
280.0668 1.8460000E-03
280.5489 0.8967250
281.0310 1.467499
281.5131 1.331478
281.9952 0.8475990
282.4774 0.5592540
282.9595 0.4936560
283.4416 0.4561500
283.9237 0.3234940
284.4058 0.1197050
284.8879 6.5590002E-02
285.3701 0.2441250
285.8522 0.3442690
286.3343 0.1994510
286.8164 0.1737940
287.2985 0.3434750
287.7806 4.0344000E-02
288.2628 0.8248830
288.7449 1.519558
289.2270 2.066189
289.7091 2.496513
290.1912 2.805946
290.6733 3.023273
291.1555 3.256454
291.6376 3.438271
292.1197 3.679115
292.6018 4.303009
293.0839 5.454529
293.5660 6.679348
294.0482 7.703896
294.5303 8.583801
295.0124 9.430866
295.4945 10.41045
295.9766 11.30846
296.4587 11.75023
296.9409 11.71254
297.4230 11.29018
297.9051 10.35546
298.3872 9.113220
298.8693 7.734135
299.3514 6.194744
299.8336 4.659370
300.3157 3.318409
300.7978 2.167458
301.2799 1.195225
301.7620 0.5297970
302.2441 2.3140000E-02
302.7263 0.6732750
303.2084 1.489361
303.6905 2.220375
304.1726 2.573517
304.6547 2.533215
305.1368 2.471050
305.6190 2.536285
306.1011 2.550320
306.5832 2.308395
307.0653 1.810493
307.5474 1.371208
308.0295 1.349861
308.5117 1.695820
308.9938 1.768070
309.4759 1.270695
309.9580 0.7303120
310.4401 0.5601810
310.9222 0.6723710
311.4044 0.7169880
311.8865 0.3154640
312.3686 0.3730770
312.8507 0.5839080
313.3328 2.6089000E-02
313.8149 0.5375750
314.2971 0.3960610
314.7792 0.1682780
315.2613 0.7452320
315.7434 1.147816
316.2255 1.451088
316.7076 1.842655
317.1898 2.392799
317.6719 2.840527
318.1540 2.916409
318.6361 2.890739
319.1182 3.046673
319.6003 3.468040
320.0825 4.099686
320.5646 4.977306
321.0467 6.178623
321.5288 7.127102
322.0109 7.426029
322.4930 7.518272
322.9752 7.713745
323.4573 8.058746
323.9394 8.477909
324.4215 8.918640
324.9036 9.378704
325.3857 9.834663
325.8679 10.21679
326.3500 10.66905
326.8321 11.38374
327.3142 12.30489
327.7963 13.08515
328.2784 13.43726
328.7606 13.43633
329.2427 13.42392
329.7248 13.32761
330.2069 13.37426
330.6890 13.76149
331.1711 14.37039
331.6533 14.95917
332.1354 15.44238
332.6175 15.82732
333.0996 16.11523
333.5817 16.28716
334.0638 16.44293
334.5460 16.68810
335.0281 16.92004
335.5102 16.94977
335.9923 16.60778
336.4744 16.33366
336.9565 16.77446
337.4387 17.97104
337.9208 18.97914
338.4029 19.28732
338.8850 19.40201
339.3671 19.82561
339.8492 20.62843
340.3314 21.60703
340.8135 22.62164
341.2956 23.68456
341.7777 24.82478
342.2598 26.05592
342.7419 27.36896
343.2241 28.65103
343.7062 29.95014
344.1883 31.53611
344.6704 33.67558
345.1525 36.17050
345.6346 38.61284
346.1168 40.98129
346.5989 43.31631
347.0810 45.65283
347.5631 47.96275
348.0452 50.21138
348.5273 52.38668
349.0095 54.49819
349.4916 56.62630
349.9737 58.76920
350.4558 60.65192
350.9379 62.07156
351.4200 63.16579
351.9022 64.14715
352.3843 64.94122
352.8664 65.84096
353.3485 67.10066
353.8306 68.63725
354.3127 70.08212
354.7949 71.22786
355.2770 72.44378
355.7591 74.20793
356.2412 76.48139
356.7233 79.01884
357.2054 81.75777
357.6876 84.69846
358.1697 87.77314
358.6518 90.93581
359.1339 94.49209
359.6160 98.73064
360.0981 103.6226
360.5803 108.8402
361.0624 114.4678
361.5445 120.2949
362.0266 125.9751
362.5087 131.6181
362.9908 137.8631
363.4730 145.2397
363.9551 153.3657
364.4372 161.1748
364.9193 168.7207
365.4014 175.8997
365.8835 183.4174
366.3657 190.3804
366.8478 195.1783
367.3299 197.3271
367.8120 197.0100
368.2941 194.3043
368.7762 189.3280
369.2584 181.7741
369.7405 170.2469
370.2226 156.9462
370.7047 143.7720
371.1868 130.9512
371.6689 118.2977
372.1511 105.4328
372.6332 92.34690
373.1153 80.67506
373.5974 70.25513
374.0795 61.12653
374.5616 53.53938
375.0438 47.24776
375.5259 41.58888
376.0080 36.24156
376.4901 31.27195
376.9722 26.98607
377.4543 23.60595
377.9365 20.61524
378.4186 18.10698
378.9007 15.89716
379.3828 13.77131
379.8649 11.67718
380.3470 9.757889
380.8292 8.220016
381.3113 7.136047
381.7934 6.258339
382.2755 5.799873
382.7576 5.334282
383.2397 4.536644
383.7219 3.488251
384.2040 2.542358
384.6861 2.000076
385.1682 1.826904
385.6503 1.483543
386.1324 0.3332210
386.6146 0.2636110
387.0967 0.2959060
387.5788 1.426956
388.0609 2.427193
388.5430 2.993134
389.0251 3.253929
389.5073 3.439339
389.9894 3.432205
390.4715 3.605423
390.9536 4.202660
391.4357 4.786797
391.9178 4.986870
392.4000 4.834076
392.8821 4.710770
393.3642 4.987999
393.8463 5.676178
394.3284 6.457779
394.8105 7.429375
395.2927 8.395363
395.7748 9.201515
396.2569 9.971115
396.7390 10.93075
397.2211 12.21964
397.7032 13.70589
398.1854 15.06592
398.6675 16.23170
399.1496 17.49565
399.6317 19.08636
400.1138 20.72739
400.5959 22.07980
401.0780 23.09858
401.5602 24.34116
402.0423 26.46813
402.5244 29.38565
403.0065 32.09190
403.4886 34.36065
403.9707 36.54530
404.4529 39.10710
404.9350 41.81918
405.4171 44.03262
405.8992 45.15302
406.3813 45.76395
406.8634 47.00313
407.3456 49.00713
407.8277 50.36891
408.3098 50.14802
408.7919 48.93497
409.2740 47.79016
409.7561 46.81939
410.2383 45.78613
410.7204 44.53055
411.2025 43.09215
411.6846 41.51731
412.1667 39.74004
412.6488 38.03393
413.1310 36.86169
413.6131 36.20141
414.0952 35.29649
414.5773 33.58338
415.0594 31.86168
415.5415 30.96351
416.0237 30.86102
416.5058 30.90659
416.9879 30.68869
417.4700 30.26743
417.9521 29.97602
418.4342 29.86169
418.9164 29.79559
419.3985 29.89648
419.8806 29.98702
420.3627 29.76443
420.8448 29.13307
421.3269 28.36367
421.8091 27.89075
422.2912 27.86193
422.7733 27.85385
423.2554 27.97972
423.7375 27.99166
424.2196 27.63839
424.7018 27.00821
425.1839 26.45834
425.6660 26.29542
426.1481 26.46208
426.6302 26.32470
427.1123 24.98292
427.5945 24.41707
428.0766 25.33984
428.5587 26.86203
429.0408 28.09371
429.5229 28.77743
430.0050 29.29692
430.4872 30.22509
430.9693 31.69370
431.4514 33.02000
431.9335 34.16460
432.4156 35.19127
432.8977 35.99865
433.3799 36.68027
433.8620 37.49031
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