#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:40:05 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1209 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000623.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_1000623
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        R050060
_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            R050060.rod
_rod_data_source.block           3500000
_rod_database.code               1000623
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
116.1486 0.0000000E+00
116.6307 19.77295
117.1129 39.89624
117.5950 23.42212
118.0771 3.516113
118.5592 10.01318
119.0413 4.595947
119.5234 24.34155
120.0056 32.21802
120.4877 32.94604
120.9698 41.49976
121.4519 57.35059
121.9340 83.75903
122.4161 132.6724
122.8982 219.7766
123.3804 306.9172
123.8625 364.6541
124.3446 397.6379
124.8267 428.9517
125.3088 482.1912
125.7909 560.2390
126.2731 619.4954
126.7552 634.8489
127.2373 642.5276
127.7194 658.3628
128.2015 685.4702
128.6837 717.3767
129.1658 743.9363
129.6479 758.9019
130.1300 781.0398
130.6121 817.1877
131.0942 857.0493
131.5764 894.4871
132.0585 926.5669
132.5406 951.3411
133.0227 961.1777
133.5048 941.4119
133.9869 921.4558
134.4691 908.5681
134.9512 897.4827
135.4333 879.2332
135.9154 847.9448
136.3975 803.9937
136.8796 757.1514
137.3618 699.0129
137.8439 645.9041
138.3260 604.4565
138.8081 574.9678
139.2902 556.6970
139.7723 552.8103
140.2545 563.1230
140.7366 565.3232
141.2187 545.7917
141.7008 523.1968
142.1829 519.3481
142.6650 539.1907
143.1472 568.3850
143.6293 588.8613
144.1114 603.4683
144.5935 632.7654
145.0756 691.1235
145.5577 771.6091
146.0399 851.8591
146.5220 926.5764
147.0041 1003.030
147.4862 1082.542
147.9683 1165.758
148.4504 1260.919
148.9326 1379.251
149.4147 1524.079
149.8968 1664.227
150.3789 1780.732
150.8610 1899.495
151.3431 2032.550
151.8252 2182.937
152.3074 2350.591
152.7895 2535.392
153.2716 2742.365
153.7537 2958.816
154.2358 3180.165
154.7179 3413.096
155.2001 3662.228
155.6822 3929.091
156.1643 4210.657
156.6464 4498.557
157.1285 4777.823
157.6106 5085.198
158.0928 5438.213
158.5749 5818.223
159.0570 6202.267
159.5391 6580.841
160.0212 6954.993
160.5033 7317.822
160.9855 7680.286
161.4676 8023.322
161.9497 8360.865
162.4318 8678.215
162.9139 8938.609
163.3960 9113.497
163.8782 9195.553
164.3603 9225.598
164.8424 9221.442
165.3245 9159.911
165.8066 9020.392
166.2887 8802.251
166.7709 8529.903
167.2530 8220.043
167.7351 7869.947
168.2172 7485.670
168.6993 7033.633
169.1814 6560.334
169.6636 6121.104
170.1457 5725.804
170.6278 5357.108
171.1099 4998.887
171.5920 4649.279
172.0741 4312.294
172.5563 3983.467
173.0384 3667.036
173.5205 3379.881
174.0026 3125.402
174.4847 2895.756
174.9668 2675.740
175.4490 2465.281
175.9311 2269.903
176.4132 2095.255
176.8953 1940.309
177.3774 1795.690
177.8595 1665.725
178.3417 1540.987
178.8238 1414.557
179.3059 1285.777
179.7880 1161.944
180.2701 1052.301
180.7522 958.2388
181.2344 870.9421
181.7165 786.7767
182.1986 710.0388
182.6807 644.9429
183.1628 592.6510
183.6449 549.2095
184.1271 508.6797
184.6092 472.7260
185.0913 436.6639
185.5734 402.2832
186.0555 366.6506
186.5376 326.0554
187.0198 278.9515
187.5019 228.9996
187.9840 184.2903
188.4661 140.0555
188.9482 109.3145
189.4303 103.7540
189.9125 108.2368
190.3946 105.0780
190.8767 84.86707
191.3588 51.48621
191.8409 22.31311
192.3230 3.177979
192.8052 23.80554
193.2873 38.45715
193.7694 47.92224
194.2515 52.96118
194.7336 53.64294
195.2157 50.50281
195.6979 49.06836
196.1800 53.20667
196.6621 54.78442
197.1442 47.97205
197.6263 35.44324
198.1084 25.56677
198.5906 24.59387
199.0727 31.92432
199.5548 36.39111
200.0369 43.40881
200.5190 43.23462
201.0011 27.83630
201.4833 1.970093
201.9654 36.26282
202.4475 68.47351
202.9296 98.97351
203.4117 131.5590
203.8938 166.7054
204.3760 203.9332
204.8581 242.9814
205.3402 284.0308
205.8223 326.1229
206.3044 367.1249
206.7865 408.5762
207.2687 455.8165
207.7508 508.1569
208.2329 567.2378
208.7150 636.8230
209.1971 718.6833
209.6792 805.1788
210.1614 889.4813
210.6435 972.5378
211.1256 1057.899
211.6077 1138.507
212.0898 1223.417
212.5719 1334.563
213.0541 1480.541
213.5362 1639.549
214.0183 1797.818
214.5004 1955.791
214.9825 2115.767
215.4646 2272.436
215.9468 2429.793
216.4289 2601.208
216.9110 2783.971
217.3931 2990.586
217.8752 3228.579
218.3573 3492.688
218.8395 3766.990
219.3216 4041.144
219.8037 4315.543
220.2858 4600.935
220.7679 4913.492
221.2500 5220.698
221.7322 5514.691
222.2143 5792.592
222.6964 6049.135
223.1785 6282.212
223.6606 6492.440
224.1427 6673.128
224.6249 6826.374
225.1070 6941.114
225.5891 7031.826
226.0712 7086.118
226.5533 7068.554
227.0354 6946.458
227.5176 6717.305
227.9997 6401.601
228.4818 5934.411
228.9639 5432.666
229.4460 4919.314
229.9281 4410.140
230.4103 3925.646
230.8924 3490.312
231.3745 3105.577
231.8566 2760.099
232.3387 2447.453
232.8208 2173.276
233.3030 1948.489
233.7851 1768.322
234.2672 1617.450
234.7493 1480.171
235.2314 1357.985
235.7135 1245.508
236.1957 1140.697
236.6778 1044.793
237.1599 959.8900
237.6420 885.6627
238.1241 820.6764
238.6062 763.8381
239.0884 715.5326
239.5705 675.2504
240.0526 650.2006
240.5347 626.2665
241.0168 590.9586
241.4989 545.2369
241.9811 503.8097
242.4632 485.0789
242.9453 500.9423
243.4274 502.9196
243.9095 482.3058
244.3916 456.5458
244.8738 433.4137
245.3559 415.4779
245.8380 404.4932
246.3201 403.3777
246.8022 417.1031
247.2843 424.6637
247.7665 420.1376
248.2486 414.2892
248.7307 415.1124
249.2128 423.3077
249.6949 434.3805
250.1770 443.9934
250.6592 452.8901
251.1413 454.1365
251.6234 443.8115
252.1055 428.9883
252.5876 417.0361
253.0697 408.5006
253.5519 395.1108
254.0340 366.4993
254.5161 317.1606
254.9982 274.4312
255.4803 244.0662
255.9624 216.7529
256.4445 184.2435
256.9267 145.5816
257.4088 106.3802
257.8909 71.06189
258.3730 39.97217
258.8551 19.79608
259.3372 17.50983
259.8194 21.29578
260.3015 23.47058
260.7836 22.87817
261.2657 20.24127
261.7478 15.80756
262.2299 9.191772
262.7121 3.751038
263.1942 1.026184
263.6763 1.436890
264.1584 6.115479
264.6405 13.13440
265.1227 20.02496
265.6048 24.32678
266.0869 25.82123
266.5690 28.00024
267.0511 34.60455
267.5332 39.51074
268.0154 36.18884
268.4975 24.53027
268.9796 11.46167
269.4617 1.925476
269.9438 3.700073
270.4259 6.296936
270.9081 3.913147
271.3902 0.1281130
271.8723 4.010681
272.3544 7.543274
272.8365 9.389282
273.3186 7.515564
273.8008 2.559753
274.2829 1.285278
274.7650 9.222717
275.2471 16.83173
275.7292 16.27814
276.2113 7.811951
276.6935 2.628967
277.1756 11.77045
277.6577 19.46991
278.1398 25.89850
278.6219 30.20898
279.1040 33.95770
279.5862 40.09583
280.0683 47.85181
280.5504 49.87085
281.0325 37.05383
281.5146 15.90088
281.9967 11.64825
282.4789 39.49146
282.9610 69.95917
283.4431 84.65936
283.9252 85.52197
284.4073 83.06171
284.8894 81.61096
285.3716 81.29932
285.8537 81.70978
286.3358 79.12152
286.8179 81.73413
287.3000 98.96783
287.7821 126.9103
288.2643 148.5635
288.7464 153.6567
289.2285 149.8973
289.7106 156.6728
290.1927 176.9430
290.6748 200.9714
291.1570 226.0272
291.6391 251.6009
292.1212 274.9521
292.6033 293.3032
293.0854 311.4071
293.5675 338.4749
294.0497 375.2494
294.5318 417.1234
295.0139 464.3673
295.4960 515.7478
295.9781 570.8492
296.4602 633.1435
296.9424 690.4678
297.4245 721.5290
297.9066 730.1575
298.3887 713.8875
298.8708 659.1505
299.3529 581.3431
299.8351 505.0305
300.3172 435.2118
300.7993 372.8159
301.2814 320.2806
301.7635 277.6997
302.2456 239.7301
302.7278 202.9340
303.2099 170.8228
303.6920 150.5977
304.1741 144.4749
304.6562 143.4901
305.1383 136.8893
305.6205 124.1048
306.1026 116.7504
306.5847 121.9092
307.0668 130.2408
307.5489 129.3132
308.0310 117.6295
308.5132 109.3859
308.9953 120.8409
309.4774 152.8478
309.9595 172.9587
310.4416 169.5824
310.9237 161.2094
311.4059 161.8199
311.8880 171.9385
312.3701 185.7363
312.8522 200.0318
313.3343 214.4182
313.8164 226.0702
314.2986 232.2206
314.7807 238.1556
315.2628 246.9103
315.7449 258.0322
316.2270 268.8704
316.7091 276.7353
317.1913 283.4476
317.6734 298.2884
318.1555 333.1010
318.6376 362.3694
319.1197 370.3092
319.6018 365.4056
320.0840 368.3558
320.5661 388.7546
321.0482 421.7222
321.5303 452.8356
322.0124 481.7631
322.4945 506.7616
322.9767 524.9821
323.4588 540.7154
323.9409 561.7094
324.4230 589.9825
324.9051 619.5347
325.3872 640.5287
325.8694 646.0436
326.3515 659.2061
326.8336 687.4138
327.3157 719.8485
327.7978 747.5565
328.2799 768.6465
328.7621 781.1946
329.2442 779.1834
329.7263 750.2372
330.2084 735.0757
330.6905 750.3755
331.1726 767.5999
331.6548 765.1475
332.1369 741.4914
332.6190 710.2325
333.1011 686.2445
333.5832 672.9338
334.0653 651.0298
334.5475 610.5225
335.0296 572.3592
335.5117 548.5966
335.9938 536.6122
336.4759 526.0643
336.9580 509.3419
337.4402 486.5465
337.9223 461.2284
338.4044 428.6896
338.8865 398.4158
339.3686 372.1227
339.8507 349.8806
340.3329 332.7230
340.8150 320.6816
341.2971 311.6320
341.7792 297.2910
342.2613 265.5328
342.7434 244.1083
343.2256 244.0452
343.7077 252.2570
344.1898 254.6297
344.6719 245.6841
345.1540 230.1283
345.6361 217.0231
346.1183 207.7627
346.6004 198.1152
347.0825 187.6646
347.5646 176.9062
348.0467 166.3315
348.5288 156.0301
349.0110 145.3429
349.4931 132.3735
349.9752 114.9456
350.4573 103.8433
350.9394 109.7175
351.4215 113.2162
351.9037 100.9769
352.3858 76.39966
352.8679 54.97400
353.3500 51.82593
353.8321 66.29767
354.3142 76.47375
354.7964 78.76886
355.2785 80.81708
355.7606 85.35205
356.2427 91.91315
356.7248 100.1463
357.2069 112.4266
357.6891 124.5892
358.1712 122.1812
358.6533 96.71857
359.1354 75.85229
359.6175 69.02393
360.0996 72.96100
360.5818 86.24921
361.0639 110.5773
361.5460 138.6164
362.0281 160.5530
362.5102 176.0078
362.9923 189.3018
363.4745 192.9100
363.9566 201.3986
364.4387 233.1786
364.9208 293.3032
365.4029 352.2180
365.8850 386.0559
366.3672 398.6443
366.8493 411.6487
367.3314 429.7126
367.8135 449.2046
368.2956 470.1941
368.7777 492.2208
369.2599 502.6465
369.7420 494.8311
370.2241 472.5073
370.7062 439.4715
371.1883 394.6905
371.6704 347.1025
372.1526 303.2848
372.6347 262.6858
373.1168 222.3989
373.5989 179.3074
374.0810 138.3043
374.5631 102.1432
375.0453 71.07672
375.5274 47.29425
376.0095 34.54645
376.4916 29.20569
376.9737 15.37024
377.4558 17.46490
377.9380 45.89734
378.4201 62.83270
378.9022 69.38403
379.3843 64.28839
379.8664 45.53107
380.3485 22.65814
380.8307 16.59863
381.3128 40.54407
381.7949 56.85181
382.2770 56.50989
382.7591 51.18481
383.2412 54.21045
383.7234 67.14349
384.2055 78.61304
384.6876 74.03937
385.1697 47.01385
385.6518 31.50433
386.1339 38.09967
386.6161 44.30560
387.0982 38.22327
387.5803 21.91406
388.0624 4.055298
388.5445 9.062500
389.0266 18.08459
389.5088 29.53955
389.9909 43.66016
390.4730 60.30835
390.9551 78.61035
391.4372 99.62146
391.9193 125.6707
392.4015 157.9177
392.8836 192.7617
393.3657 221.1642
393.8478 234.9354
394.3299 262.3192
394.8120 312.6926
395.2942 373.0273
395.7763 436.9331
396.2584 502.8351
396.7405 569.1367
397.2226 633.2101
397.7047 694.7257
398.1869 762.2659
398.6690 834.7316
399.1511 916.4105
399.6332 1006.752
400.1153 1106.385
400.5974 1217.858
401.0796 1346.694
401.5617 1487.111
402.0438 1622.809
402.5259 1748.225
403.0080 1891.069
403.4901 2076.851
403.9723 2287.722
404.4544 2495.013
404.9365 2686.773
405.4186 2886.563
405.9007 3124.027
406.3828 3390.529
406.8650 3640.577
407.3471 3859.448
407.8292 4050.289
408.3113 4221.083
408.7934 4373.543
409.2755 4504.268
409.7577 4621.893
410.2398 4711.805
410.7219 4749.851
411.2040 4732.251
411.6861 4678.818
412.1682 4603.926
412.6504 4504.298
413.1325 4404.042
413.6146 4305.006
414.0967 4203.622
414.5788 4087.118
415.0609 3964.740
415.5431 3865.038
416.0252 3808.615
416.5073 3783.304
416.9894 3730.711
417.4715 3607.421
417.9536 3509.075
418.4358 3459.668
418.9179 3432.991
419.4000 3404.164
419.8821 3364.639
420.3642 3315.781
420.8463 3258.012
421.3285 3186.924
421.8106 3119.635
422.2927 3068.701
422.7748 3010.650
423.2569 2930.684
423.7390 2832.121
424.2212 2729.263
424.7033 2633.830
425.1854 2543.888
425.6675 2442.366
426.1496 2317.452
426.6317 2202.477
427.1139 2108.801
427.5960 2031.347
428.0781 1965.376
428.5602 1912.446
429.0423 1863.458
429.5244 1806.666
430.0066 1741.888
430.4887 1678.444
430.9708 1620.859
431.4529 1563.693
431.9350 1498.447
432.4171 1423.978
432.8993 1359.044
433.3814 1316.340
433.8635 1288.347
434.3456 1264.630
434.8277 1244.772
435.3098 1216.711
435.7920 1167.322
436.2741 1099.122
436.7562 1042.015
437.2383 1002.174
437.7204 971.3318
438.2025 947.3684
438.6847 927.4250
439.1668 905.8579
439.6489 881.6471
440.1310 855.1289
440.6131 824.5769
441.0952 784.3601
441.5774 745.8759
442.0595 709.5068
442.5416 676.2227
443.0237 648.0269
443.5058 623.9774
443.9879 601.2133
444.4701 577.4060
444.9522 552.2170
445.4343 535.8450
445.9164 536.4680
446.3985 537.4562
446.8806 535.4442
447.3628 529.1667
447.8449 515.5596
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