#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:40:08 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1210 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000624.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_1000624
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        R050100
_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            R050100.rod
_rod_data_source.block           3500000
_rod_database.code               1000624
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
138.7542 0.0000000E+00
139.2363 0.2111820
139.7184 1.523071
140.2005 2.998901
140.6826 9.060547
141.1647 16.45447
141.6469 27.15112
142.1290 42.98682
142.6111 58.74097
143.0932 73.71606
143.5753 87.87927
144.0574 101.2749
144.5396 113.9045
145.0217 125.6638
145.5038 136.8186
145.9859 145.6438
146.4680 155.7418
146.9502 168.7010
147.4323 184.2583
147.9144 201.0383
148.3965 217.4871
148.8786 234.1395
149.3607 254.7483
149.8429 277.8199
150.3250 305.8425
150.8071 345.0024
151.2892 397.9390
151.7713 449.3539
152.2534 477.4192
152.7356 489.2719
153.2177 510.0000
153.6998 553.8103
154.1819 611.7993
154.6640 663.4771
155.1461 703.2277
155.6283 740.2034
156.1104 778.4314
156.5925 818.7073
157.0746 866.7931
157.5567 936.1792
158.0388 1025.759
158.5210 1093.454
159.0031 1112.846
159.4852 1122.211
159.9673 1146.075
160.4494 1186.761
160.9315 1226.753
161.4137 1247.453
161.8958 1245.254
162.3779 1237.253
162.8600 1225.228
163.3421 1208.152
163.8242 1186.520
164.3064 1159.844
164.7885 1130.084
165.2706 1095.824
165.7527 1054.449
166.2348 1009.312
166.7169 955.5179
167.1991 899.6573
167.6812 851.3367
168.1633 821.9110
168.6454 801.0385
169.1275 764.1398
169.6096 698.0057
170.0918 637.6464
170.5739 580.5128
171.0560 529.8752
171.5381 489.0868
172.0202 459.0668
172.5023 439.0221
172.9845 412.6949
173.4666 372.4391
173.9487 335.3275
174.4308 308.0844
174.9129 289.3505
175.3951 273.8119
175.8772 257.6863
176.3593 240.8359
176.8414 222.6097
177.3235 200.7910
177.8056 179.1602
178.2878 160.7548
178.7699 145.7667
179.2520 131.1532
179.7341 113.4927
180.2162 92.81848
180.6983 74.30200
181.1805 54.34253
181.6626 38.55994
182.1447 36.72241
182.6268 52.86401
183.1089 71.60559
183.5910 75.60156
184.0732 67.42419
184.5553 56.77112
185.0374 43.71887
185.5195 30.62146
186.0016 24.18921
186.4837 29.22046
186.9659 35.26770
187.4480 31.74792
187.9301 19.54224
188.4122 6.840820
188.8943 1.290161
189.3764 5.329102
189.8586 9.665710
190.3407 16.92706
190.8228 22.60162
191.3049 22.43671
191.7870 16.38153
192.2691 9.862671
192.7513 7.993835
193.2334 11.20422
193.7155 14.89514
194.1976 20.90051
194.6797 25.41803
195.1618 24.83917
195.6440 18.66516
196.1261 11.72284
196.6082 10.48712
197.0903 19.57153
197.5724 23.79883
198.0546 16.75500
198.5367 7.090942
199.0188 0.4539790
199.5009 1.384399
199.9830 0.1192020
200.4651 1.849609
200.9473 7.873108
201.4294 7.833008
201.9115 4.931580
202.3936 20.49622
202.8757 29.26868
203.3578 27.18060
203.8400 18.61169
204.3221 15.17145
204.8042 20.66632
205.2863 27.02325
205.7684 32.74164
206.2505 39.01508
206.7327 48.33319
207.2148 62.19165
207.6969 78.35718
208.1790 87.45929
208.6611 79.03021
209.1432 74.38519
209.6254 77.70630
210.1075 86.40515
210.5896 96.59705
211.0717 106.1166
211.5538 115.0704
212.0359 124.6865
212.5181 134.8531
213.0002 145.8319
213.4823 157.0051
213.9644 169.0761
214.4465 183.3198
214.9286 200.7117
215.4108 220.9816
215.8929 242.3573
216.3750 265.1351
216.8571 288.5150
217.3392 310.2952
217.8214 331.9360
218.3035 358.2205
218.7856 393.3116
219.2677 436.8315
219.7498 479.4634
220.2319 521.0018
220.7141 561.8723
221.1962 598.8275
221.6783 633.5422
222.1604 676.5316
222.6425 739.4905
223.1246 819.8836
223.6068 883.3546
224.0889 930.9692
224.5710 961.5506
225.0531 972.6218
225.5352 964.4973
226.0173 941.8555
226.4995 906.2957
226.9816 857.2753
227.4637 801.0168
227.9458 728.4343
228.4279 654.3181
228.9100 592.5835
229.3922 544.1363
229.8743 501.1662
230.3564 456.9871
230.8385 412.9296
231.3206 375.2792
231.8027 344.5729
232.2849 321.0120
232.7670 307.1848
233.2491 304.8033
233.7312 302.4836
234.2133 290.1088
234.6954 271.0292
235.1776 252.8671
235.6597 236.3782
236.1418 222.3249
236.6239 211.8430
237.1060 204.9355
237.5881 201.5967
238.0703 204.2632
238.5524 210.5191
239.0345 215.7599
239.5166 216.7157
239.9987 216.1658
240.4808 220.0880
240.9630 230.5317
241.4451 240.1549
241.9272 243.0712
242.4093 241.8021
242.8914 240.9700
243.3735 242.7349
243.8557 246.1415
244.3378 248.8082
244.8199 249.9525
245.3020 252.1309
245.7841 253.3958
246.2662 256.3312
246.7484 266.9707
247.2305 292.5172
247.7126 327.5557
248.1947 356.9977
248.6768 379.2323
249.1589 398.9666
249.6411 419.4246
250.1232 439.6033
250.6053 457.5388
251.0874 472.5634
251.5695 484.2396
252.0517 491.4426
252.5338 495.9254
253.0159 492.5679
253.4980 482.7299
253.9801 464.9534
254.4622 434.8400
254.9444 383.8236
255.4265 319.5826
255.9086 268.8871
256.3907 237.6791
256.8728 212.0193
257.3549 184.9611
257.8370 158.0339
258.3192 133.8878
258.8013 113.4987
259.2834 97.21991
259.7655 86.01392
260.2476 82.68372
260.7297 78.81714
261.2119 70.47333
261.6940 59.58417
262.1761 49.15375
262.6582 40.67200
263.1403 34.13153
263.6224 30.44952
264.1046 33.21887
264.5867 32.94861
265.0688 21.19592
265.5509 5.888672
266.0330 0.4674070
266.5151 11.45044
266.9973 34.69440
267.4794 43.88293
267.9615 27.94177
268.4436 15.61957
268.9258 20.09399
269.4079 31.73163
269.8900 37.26276
270.3721 28.80988
270.8542 11.55109
271.3363 1.468445
271.8185 0.6602170
272.3006 4.357727
272.7827 16.29840
273.2648 29.58820
273.7469 34.45935
274.2290 24.62006
274.7112 7.489502
275.1933 4.517761
275.6754 26.99023
276.1575 43.37762
276.6396 43.72156
277.1217 36.07745
277.6039 28.20508
278.0860 23.16919
278.5681 20.83154
279.0502 21.92706
279.5323 31.06909
280.0144 34.23450
280.4966 23.90070
280.9787 9.408264
281.4608 0.5870970
281.9429 2.645264
282.4250 0.2824100
282.9071 2.973450
283.3893 6.240295
283.8714 7.286011
284.3535 4.132935
284.8356 0.2996830
285.3177 3.456238
285.7998 4.498169
286.2820 4.864502
286.7641 7.607178
287.2462 15.06104
287.7283 18.60529
288.2104 16.79749
288.6925 11.16541
289.1747 0.7984620
289.6568 14.21875
290.1389 29.14490
290.6210 36.94006
291.1031 35.45776
291.5852 33.77826
292.0674 31.42535
292.5495 30.30487
293.0316 31.20721
293.5137 34.42267
293.9958 40.53595
294.4779 52.63611
294.9601 73.67566
295.4422 86.19244
295.9243 82.25372
296.4064 73.83307
296.8885 65.74622
297.3706 58.77667
297.8528 51.87012
298.3349 43.73065
298.8170 34.19257
299.2991 25.21594
299.7812 14.44891
300.2633 6.657776
300.7455 5.814941
301.2276 10.71332
301.7097 15.96228
302.1918 16.69897
302.6739 12.85065
303.1560 9.641357
303.6382 5.335632
304.1203 3.813477
304.6024 9.065552
305.0845 18.74384
305.5666 26.41943
306.0487 26.05029
306.5309 19.05127
307.0130 16.86774
307.4951 23.26508
307.9772 29.51172
308.4593 30.75439
308.9414 29.23950
309.4236 29.40729
309.9057 34.47675
310.3878 42.87000
310.8699 49.65692
311.3520 55.46399
311.8341 58.14514
312.3163 53.51306
312.7984 46.36243
313.2805 43.64343
313.7626 49.12451
314.2447 59.71295
314.7268 70.04852
315.2090 80.96210
315.6911 89.20734
316.1732 90.21216
316.6553 89.24420
317.1374 92.08313
317.6195 101.1937
318.1017 112.9337
318.5838 121.5767
319.0659 126.1044
319.5480 133.7827
320.0301 154.4171
320.5122 175.4305
320.9944 183.6293
321.4765 174.6529
321.9586 163.0530
322.4407 163.8597
322.9228 177.0046
323.4049 189.8283
323.8871 201.2182
324.3692 208.7604
324.8513 209.1545
325.3334 201.9307
325.8155 194.3517
326.2976 191.5281
326.7798 192.8730
327.2619 195.0753
327.7440 197.8846
328.2261 200.9708
328.7082 205.0006
329.1903 209.8645
329.6725 212.4561
330.1546 209.6242
330.6367 203.4054
331.1188 198.4958
331.6009 195.2485
332.0830 193.4294
332.5652 195.7397
333.0473 200.3909
333.5294 199.2008
334.0115 184.8900
334.4936 165.7133
334.9757 152.3250
335.4579 145.7446
335.9400 142.1742
336.4221 139.1658
336.9042 137.0815
337.3863 137.2403
337.8684 145.0501
338.3506 151.2493
338.8327 144.8946
339.3148 127.2231
339.7969 112.9684
340.2791 112.9807
340.7612 122.5678
341.2433 123.7485
341.7254 106.5717
342.2075 92.47760
342.6896 96.80743
343.1718 113.3192
343.6539 123.5862
344.1360 118.4171
344.6181 103.7263
345.1002 94.89270
345.5823 92.23444
346.0645 93.62360
346.5466 103.7887
347.0287 116.7037
347.5108 121.3193
347.9929 113.8593
348.4750 101.4509
348.9572 95.38965
349.4393 97.57605
349.9214 101.9983
350.4035 114.6440
350.8856 125.7213
351.3677 121.7533
351.8499 102.3809
352.3320 84.77582
352.8141 89.27441
353.2962 123.0981
353.7783 145.6719
354.2604 153.8079
354.7426 155.1411
355.2247 149.9777
355.7068 140.8926
356.1889 133.4635
356.6710 131.5907
357.1531 135.2875
357.6353 146.8735
358.1174 177.1852
358.5995 203.3427
359.0816 216.4734
359.5637 221.6952
360.0458 226.8838
360.5280 236.1363
361.0101 249.7473
361.4922 269.1163
361.9743 296.6398
362.4564 327.1821
362.9385 359.8359
363.4207 395.3474
363.9028 437.3512
364.3849 486.5629
364.8670 535.1798
365.3491 569.8264
365.8312 586.9873
366.3134 599.1294
366.7955 613.2872
367.2776 618.6874
367.7597 608.5184
368.2418 582.1584
368.7239 543.5102
369.2061 490.3933
369.6882 420.9972
370.1703 366.9568
370.6524 341.2123
371.1345 318.7186
371.6166 287.2673
372.0988 249.4451
372.5809 213.2086
373.0630 183.4726
373.5451 159.1132
374.0272 136.2253
374.5093 114.1431
374.9915 95.17926
375.4736 80.65668
375.9557 69.54260
376.4378 60.87402
376.9199 54.60144
377.4020 50.23889
377.8842 48.76721
378.3663 50.61224
378.8484 48.48529
379.3305 36.86383
379.8126 21.25909
380.2947 8.425354
380.7769 1.597900
381.2590 7.668274
381.7411 6.806824
382.2232 0.9694210
382.7053 2.900452
383.1874 2.722412
383.6696 0.7090450
384.1517 0.2887570
384.6338 0.2240600
385.1159 0.8603520
385.5980 2.712341
386.0801 5.496521
386.5623 9.414795
387.0444 14.49683
387.5265 19.04675
388.0086 21.74969
388.4907 22.40833
388.9728 21.51703
389.4550 18.76453
389.9371 14.78674
390.4192 9.433899
390.9013 3.057312
391.3834 3.592163
391.8655 10.36957
392.3477 16.79657
392.8298 20.27362
393.3119 17.25952
393.7940 15.85577
394.2761 17.48907
394.7582 21.37622
395.2404 26.72302
395.7225 33.24146
396.2046 40.57501
396.6867 47.82770
397.1688 52.14020
397.6509 62.49731
398.1331 85.47113
398.6152 108.5063
399.0973 121.3555
399.5794 125.0080
400.0615 129.2750
400.5436 144.0886
401.0258 170.0509
401.5079 194.3604
401.9900 215.6432
402.4721 236.5557
402.9542 259.1390
403.4363 281.7758
403.9185 302.3457
404.4006 320.3384
404.8827 334.4655
405.3648 339.6843
405.8469 331.1587
406.3290 326.3287
406.8112 339.0931
407.2933 353.6132
407.7754 353.9248
408.2575 335.4380
408.7396 311.9988
409.2217 296.7161
409.7039 289.1671
410.1860 282.4236
410.6681 276.1527
411.1502 268.9065
411.6324 259.2628
412.1145 247.3970
412.5966 234.9529
413.0787 220.2015
413.5608 206.0889
414.0429 197.9158
414.5251 196.3986
415.0072 198.2871
415.4893 202.5408
415.9714 208.4993
416.4535 212.3492
416.9356 208.8351
417.4178 207.8151
417.8999 216.6171
418.3820 232.9152
418.8641 250.3604
419.3462 266.6129
419.8283 280.8585
420.3105 290.5834
420.7926 294.4584
421.2747 296.3555
421.7568 294.9578
422.2389 292.7305
422.7210 293.3314
423.2032 297.1237
423.6853 299.3998
424.1674 294.2458
424.6495 279.9213
425.1316 265.8176
425.6137 248.1509
426.0959 234.2920
426.5780 231.0116
427.0601 234.1163
427.5422 233.2945
428.0243 220.6929
428.5064 200.4601
428.9886 191.7170
429.4707 200.7355
429.9528 210.6768
430.4349 220.3206
430.9170 227.9277
431.3991 230.3889
431.8813 226.7535
432.3634 222.3902
432.8455 223.3785
433.3276 229.8230
433.8097 240.4994
434.2918 260.9049
434.7740 279.1074
435.2561 284.6926
435.7382 279.5509
436.2203 275.5784
436.7024 280.1198
437.1845 289.3344
437.6667 296.4371
438.1488 301.0824
438.6309 304.4518
439.1130 308.6249
439.5951 311.8419
440.0772 308.8347
440.5594 294.4236
441.0415 278.9214
441.5236 265.9376
442.0057 256.1938
442.4878 253.4508
442.9699 260.3555
443.4521 269.3406
443.9342 266.2745
444.4163 242.9028
444.8984 226.9217
445.3805 223.4538
445.8626 225.2976
446.3448 228.5737
446.8269 231.9752
447.3090 233.6361
447.7911 231.6097
448.2732 225.9700
448.7553 222.1292
449.2375 219.5817
449.7196 219.0129
450.2017 221.7134
450.6838 226.1899
451.1659 230.1187
451.6480 232.4377
452.1302 234.8829
452.6123 241.2443
453.0944 253.0961
453.5765 263.5520
454.0586 274.1234
454.5407 280.9431
455.0229 279.8768
455.5050 271.6979
455.9871 262.7922
456.4692 258.5919
456.9513 257.4559
457.4334 252.9492
457.9156 243.4620
458.3977 234.7589
458.8798 233.2072
459.3619 234.6237
459.8440 230.5208
460.3261 214.7101
460.8083 199.0615
461.2904 194.7645
461.7725 198.5697
462.2546 198.4402
462.7367 189.9329
463.2188 175.9059
463.7010 159.9813
464.1831 139.5321
464.6652 125.4738
465.1473 125.3671
465.6294 127.9293
466.1115 123.3981
466.5937 111.4561
467.0758 97.09583
467.5579 83.71161
468.0400 71.51947
468.5221 64.46832
469.0042 67.80109
469.4864 70.43005
469.9685 70.83380
470.4506 69.24945
470.9327 65.58813
471.4148 59.87231
471.8969 53.67200
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1276.550 2.176270
1277.032 0.0000000E+00
