#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:41:02 +0300 (Thu, 07 Jun 2018) $
#$Revision: 918 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000391.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_1000391
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 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            R050060.rod
_rod_data_source.block           3500000
_rod_database.code               1000391
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
141.8225 0.0000000E+00
142.3047 25.23633
142.7868 2.537842
143.2689 13.07666
143.7510 0.6828610
144.2331 35.38477
144.7152 80.97949
145.1974 130.7598
145.6795 197.6187
146.1616 288.4180
146.6437 413.8281
147.1258 530.1841
147.6079 624.2207
148.0901 709.4331
148.5722 817.8647
149.0543 956.8596
149.5364 1112.516
150.0185 1277.416
150.5006 1446.664
150.9828 1629.611
151.4649 1821.329
151.9470 2022.878
152.4291 2249.174
152.9112 2504.636
153.3933 2782.078
153.8755 3079.717
154.3576 3411.561
154.8397 3747.534
155.3218 4074.354
155.8039 4388.590
156.2860 4725.220
156.7682 5099.068
157.2503 5491.335
157.7324 5882.215
158.2145 6275.073
158.6966 6656.131
159.1787 7021.865
159.6609 7377.204
160.1430 7706.954
160.6251 8020.977
161.1072 8305.738
161.5893 8530.029
162.0714 8685.383
162.5536 8773.528
163.0357 8797.556
163.5178 8767.895
163.9999 8663.807
164.4820 8466.335
164.9641 8195.098
165.4463 7881.096
165.9284 7522.710
166.4105 7145.583
166.8926 6773.341
167.3747 6397.440
167.8568 6024.051
168.3390 5644.918
168.8211 5260.608
169.3032 4885.002
169.7853 4526.913
170.2674 4185.631
170.7495 3858.108
171.2317 3525.195
171.7138 3209.044
172.1959 2936.220
172.6780 2717.108
173.1601 2519.493
173.6422 2315.312
174.1244 2109.933
174.6065 1924.745
175.0886 1781.381
175.5707 1661.817
176.0528 1538.382
176.5349 1402.243
177.0171 1266.914
177.4992 1143.862
177.9813 1034.069
178.4634 936.4692
178.9455 855.8965
179.4276 787.7791
179.9098 719.3611
180.3919 643.4502
180.8740 566.9446
181.3561 496.9385
181.8382 434.0337
182.3203 378.6755
182.8025 333.7178
183.2846 298.0659
183.7667 264.9385
184.2488 229.6167
184.7309 194.6370
185.2130 173.6296
185.6951 170.2134
186.1773 165.8796
186.6594 126.4500
187.1415 55.93872
187.6236 4.214355
188.1057 27.62036
188.5878 20.45288
189.0700 12.01318
189.5521 2.785400
190.0342 3.049805
190.5163 5.495361
190.9984 28.81323
191.4805 52.80408
191.9627 66.33582
192.4448 70.29224
192.9269 75.29700
193.4090 84.47607
193.8911 95.19275
194.3732 99.05139
194.8554 95.57410
195.3375 88.29004
195.8196 80.30823
196.3017 71.64294
196.7838 60.74109
197.2659 45.42236
197.7481 26.79773
198.2302 15.82153
198.7123 15.13928
199.1944 13.55005
199.6765 3.513428
200.1586 34.19507
200.6408 69.47107
201.1229 108.7031
201.6050 152.0342
202.0871 189.5654
202.5692 219.1687
203.0513 246.4703
203.5335 279.3757
204.0156 317.5663
204.4977 364.2090
204.9798 423.4408
205.4619 496.9835
205.9440 567.5278
206.4262 632.1831
206.9083 694.7878
207.3904 765.7244
207.8725 846.7656
208.3546 931.3887
208.8367 1014.211
209.3189 1092.556
209.8010 1181.472
210.2831 1283.618
210.7652 1397.569
211.2473 1517.407
211.7294 1642.778
212.2116 1775.215
212.6937 1913.449
213.1758 2056.809
213.6579 2212.301
214.1400 2381.842
214.6221 2566.053
215.1043 2761.920
215.5864 2968.007
216.0685 3191.791
216.5506 3440.654
217.0327 3722.421
217.5148 4011.426
217.9970 4305.018
218.4791 4601.310
218.9612 4914.437
219.4433 5260.384
219.9254 5603.038
220.4075 5893.802
220.8897 6119.288
221.3718 6315.810
221.8539 6492.693
222.3360 6657.071
222.8181 6775.303
223.3002 6842.163
223.7824 6865.262
224.2645 6862.098
224.7466 6854.160
225.2287 6782.511
225.7108 6625.933
226.1929 6382.863
226.6750 6057.259
227.1572 5623.264
227.6393 5118.514
228.1214 4623.250
228.6035 4121.349
229.0856 3659.260
229.5677 3264.884
230.0499 2962.547
230.5320 2682.707
231.0141 2422.158
231.4962 2184.230
231.9783 1978.982
232.4604 1818.092
232.9426 1677.488
233.4247 1539.332
233.9068 1395.121
234.3889 1277.191
234.8710 1196.212
235.3531 1147.273
235.8353 1091.635
236.3174 1021.715
236.7995 953.7476
237.2816 900.6621
237.7637 869.6055
238.2458 839.6946
238.7280 807.7079
239.2101 773.7217
239.6922 742.9814
240.1743 716.9020
240.6564 692.6355
241.1385 667.0609
241.6207 635.6687
242.1028 609.8386
242.5849 591.0265
243.0670 579.2188
243.5491 576.0587
244.0313 586.6066
244.5134 601.4324
244.9955 609.0339
245.4776 603.8923
245.9597 597.9974
246.4418 595.8402
246.9240 597.7797
247.4061 602.8705
247.8882 613.4464
248.3703 624.0417
248.8524 627.7230
249.3345 625.8173
249.8167 615.2262
250.2988 594.4061
250.7809 561.0155
251.2630 526.0247
251.7451 490.7264
252.2272 453.5968
252.7094 409.2194
253.1915 345.8507
253.6736 296.0045
254.1557 277.8763
254.6378 312.0686
255.1199 311.6000
255.6021 261.1638
256.0842 183.3680
256.5663 128.9351
257.0484 107.8698
257.5305 93.66028
258.0126 73.93872
258.4948 43.34680
258.9769 19.44470
259.4590 2.102905
259.9411 8.681030
260.4232 11.65881
260.9053 2.469482
261.3875 6.559692
261.8696 8.517944
262.3517 0.4880370
262.8338 5.723511
263.3159 9.371582
263.7980 10.83643
264.2802 10.75464
264.7623 8.017944
265.2444 6.016113
265.7265 7.513550
266.2086 14.09607
266.6907 18.21655
267.1729 18.89563
267.6550 16.70911
268.1371 13.60571
268.6192 9.367554
269.1013 4.782593
269.5834 0.4272460
270.0656 7.216064
270.5477 9.548218
271.0298 4.589722
271.5119 5.066772
271.9940 6.780029
272.4761 2.984497
272.9583 11.79639
273.4404 6.413940
273.9225 18.04565
274.4046 27.78711
274.8867 12.32727
275.3688 20.88184
275.8510 36.59985
276.3331 30.61499
276.8152 19.54517
277.2973 18.08777
277.7794 27.55371
278.2615 33.50232
278.7437 30.76514
279.2258 22.70813
279.7079 27.40222
280.1900 48.23889
280.6721 68.75830
281.1542 72.17249
281.6364 57.70825
282.1185 43.89417
282.6006 32.53113
283.0827 25.21497
283.5648 31.58936
284.0469 54.05579
284.5291 77.79626
285.0112 84.95386
285.4933 76.25513
285.9754 76.39453
286.4575 96.11414
286.9396 128.0841
287.4217 145.4706
287.9038 146.8370
288.3860 143.8212
288.8681 144.6516
289.3502 149.7194
289.8323 163.4249
290.3144 189.8939
290.7965 224.7362
291.2787 254.8262
291.7608 279.7781
292.2429 305.3733
292.7250 338.2687
293.2071 377.3312
293.6892 417.0354
294.1714 454.7179
294.6535 491.8781
295.1356 537.4067
295.6177 592.3353
296.0998 637.5579
296.5819 661.5408
297.0641 662.9004
297.5462 635.7028
298.0283 562.8776
298.5104 468.6968
298.9925 389.5275
299.4746 325.1033
299.9568 273.5602
300.4389 234.2478
300.9210 206.1384
301.4031 186.0337
301.8852 176.2877
302.3673 172.1658
302.8495 169.1470
303.3316 167.1660
303.8137 163.0214
304.2958 147.7040
304.7779 128.9264
305.2600 120.7775
305.7422 133.7717
306.2243 156.3262
306.7064 178.4106
307.1885 200.2366
307.6706 221.8669
308.1527 247.7897
308.6349 272.7263
309.1170 288.8546
309.5991 272.1931
310.0812 261.2522
310.5633 298.4871
311.0454 380.5468
311.5276 444.3678
312.0097 431.0060
312.4918 386.6626
312.9739 362.3451
313.4560 390.5649
313.9381 431.3927
314.4203 466.7428
314.9024 496.9983
315.3845 521.2078
315.8666 528.7555
316.3487 534.1658
316.8308 551.2804
317.3130 593.5204
317.7951 639.3767
318.2772 681.1586
318.7593 719.9736
319.2414 758.4268
319.7235 799.2606
320.2057 839.2570
320.6878 875.9858
321.1699 900.4434
321.6520 931.0601
322.1341 975.6675
322.6162 1032.610
323.0984 1084.328
323.5805 1122.760
324.0626 1156.973
324.5447 1194.095
325.0268 1242.108
325.5089 1286.182
325.9911 1325.764
326.4732 1359.969
326.9553 1384.604
327.4374 1383.601
327.9195 1383.382
328.4016 1398.665
328.8838 1459.941
329.3659 1496.785
329.8480 1497.940
330.3301 1469.027
330.8122 1441.523
331.2943 1412.383
331.7765 1385.840
332.2586 1366.899
332.7407 1368.251
333.2228 1357.520
333.7049 1329.793
334.1870 1288.324
334.6692 1246.988
335.1513 1207.106
335.6334 1165.127
336.1155 1119.785
336.5976 1071.311
337.0797 1016.243
337.5619 949.7666
338.0440 879.1106
338.5261 828.6328
339.0082 803.6401
339.4903 782.3953
339.9724 753.4312
340.4546 715.6519
340.9367 677.2025
341.4188 636.7209
341.9009 597.8141
342.3830 568.7820
342.8651 550.5347
343.3473 533.5513
343.8294 513.0428
344.3115 489.3009
344.7936 465.6466
345.2757 440.9143
345.7578 418.9280
346.2400 407.8867
346.7221 407.2421
347.2042 405.4504
347.6863 393.1956
348.1684 374.9269
348.6505 366.4109
349.1327 369.5312
349.6148 375.5505
350.0969 375.9006
350.5790 370.6367
351.0611 360.1332
351.5432 333.8688
352.0254 305.8693
352.5075 301.6055
352.9896 323.7639
353.4717 351.6602
353.9538 369.8870
354.4359 379.9713
354.9181 384.1792
355.4002 377.5402
355.8823 369.2244
356.3644 367.1647
356.8465 371.5845
357.3286 380.6520
357.8108 391.8143
358.2929 407.4028
358.7750 430.6714
359.2571 470.8450
359.7392 512.2328
360.2213 542.7771
360.7035 563.5923
361.1856 591.9664
361.6677 634.2615
362.1498 687.8987
362.6319 751.1274
363.1140 831.3245
363.5962 913.2029
364.0783 992.5798
364.5604 1069.775
365.0425 1147.316
365.5246 1235.384
366.0067 1318.011
366.4889 1385.350
366.9710 1439.745
367.4531 1475.692
367.9352 1502.999
368.4173 1514.876
368.8994 1479.955
369.3815 1365.374
369.8636 1232.890
370.3458 1109.825
370.8279 1001.361
371.3100 891.1204
371.7921 772.3240
372.2742 652.6099
372.7563 551.3027
373.2385 475.7993
373.7206 407.8296
374.2027 340.2900
374.6848 271.3656
375.1669 211.2784
375.6490 160.4108
376.1312 117.9971
376.6133 82.96191
377.0954 56.34937
377.5775 32.57983
378.0596 8.244263
378.5417 16.11169
379.0239 33.07788
379.5060 41.91382
379.9881 45.23096
380.4702 42.90356
380.9523 35.26990
381.4344 33.80994
381.9166 46.59180
382.3987 67.51099
382.8808 76.52039
383.3629 72.91870
383.8450 68.16772
384.3271 77.40552
384.8093 95.10327
385.2914 103.6053
385.7735 94.25049
386.2556 76.51111
386.7377 62.24744
387.2198 51.28650
387.7020 41.69275
388.1841 34.24976
388.6662 26.87671
389.1483 17.32642
389.6304 7.830566
390.1125 8.577026
390.5947 44.62695
391.0768 93.88074
391.5589 134.8610
392.0410 146.7401
392.5231 152.5227
393.0052 168.8114
393.4874 199.6648
393.9695 238.1719
394.4516 287.2958
394.9337 341.9207
395.4158 392.6748
395.8979 423.2782
396.3801 461.0573
396.8622 518.4490
397.3443 601.5375
397.8264 686.0029
398.3085 760.4630
398.7906 836.7355
399.2728 928.8872
399.7549 1049.285
400.2370 1172.054
400.7191 1290.636
401.2012 1404.037
401.6833 1528.113
402.1655 1656.644
402.6476 1800.363
403.1297 1970.073
403.6118 2174.673
404.0939 2385.290
404.5760 2598.253
405.0582 2813.157
405.5403 3026.362
406.0224 3240.102
406.5045 3439.688
406.9866 3618.249
407.4688 3777.039
407.9509 3900.344
408.4330 3985.489
408.9151 4037.519
409.3972 4066.235
409.8793 4071.327
410.3615 4051.716
410.8436 3998.317
411.3257 3918.500
411.8078 3837.467
412.2899 3756.233
412.7720 3674.866
413.2542 3583.620
413.7363 3491.364
414.2184 3423.002
414.7005 3404.858
415.1826 3410.132
415.6647 3407.367
416.1469 3395.486
416.6290 3388.347
417.1111 3404.710
417.5932 3429.379
418.0753 3441.898
418.5574 3431.009
419.0396 3410.346
419.5217 3389.759
420.0038 3367.303
420.4859 3329.142
420.9680 3265.228
421.4501 3186.541
421.9323 3102.396
422.4144 3018.316
422.8965 2922.260
423.3786 2799.803
423.8607 2662.421
424.3428 2541.856
424.8250 2462.995
425.3071 2379.843
425.7892 2274.334
426.2713 2127.137
426.7534 2005.772
427.2355 1920.561
427.7177 1854.406
428.1998 1783.715
428.6819 1704.602
429.1640 1629.607
429.6461 1562.704
430.1282 1504.396
430.6104 1439.808
431.0925 1364.723
431.5746 1293.393
432.0567 1243.619
432.5388 1216.087
433.0209 1187.688
433.5031 1153.485
433.9852 1115.062
434.4673 1073.619
434.9494 1029.644
435.4315 987.7188
435.9136 949.5469
436.3958 915.0125
436.8779 888.4790
437.3600 874.8982
437.8421 860.1978
438.3242 822.9346
438.8063 771.4788
439.2885 727.7729
439.7706 705.2793
440.2527 692.7048
440.7348 683.8721
441.2169 679.7998
441.6990 671.6782
442.1812 647.9199
442.6633 617.7659
443.1454 593.2539
443.6275 580.3853
444.1096 574.0500
444.5917 573.8845
445.0739 579.2502
445.5560 584.7024
446.0381 590.8706
446.5202 595.3599
447.0023 596.8291
447.4844 590.6042
447.9666 587.6074
448.4487 588.7046
448.9308 592.1750
449.4129 595.5098
449.8950 596.7708
450.3771 600.9604
450.8592 611.3210
451.3413 629.5732
451.8235 642.6963
452.3056 648.6477
452.7877 652.7793
453.2698 662.1304
453.7519 676.8218
454.2340 694.6741
454.7162 714.6748
455.1983 737.4363
455.6804 769.2288
456.1625 810.8855
456.6446 848.9387
457.1267 868.2712
457.6089 874.8982
458.0910 887.1782
458.5731 910.3137
459.0552 937.5945
459.5373 962.7163
460.0194 985.3948
460.5016 1005.168
460.9837 1017.237
461.4658 1028.669
461.9479 1046.068
462.4300 1070.719
462.9121 1097.801
463.3943 1133.155
463.8764 1167.063
464.3585 1186.352
464.8406 1180.708
465.3227 1166.198
465.8048 1146.279
466.2870 1121.139
466.7691 1093.961
467.2512 1064.212
467.7333 1032.807
468.2154 999.8345
468.6975 959.3704
469.1797 927.6892
469.6618 912.8279
470.1439 905.5286
470.6260 880.7854
471.1081 833.7314
471.5902 780.7612
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1295.527 0.0000000E+00
