#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:41:06 +0300 (Thu, 07 Jun 2018) $
#$Revision: 919 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000392.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_1000392
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 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            R050100.rod
_rod_data_source.block           3500000
_rod_database.code               1000392
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
139.2989 0.0000000E+00
139.7810 4.917969
140.2631 7.060059
140.7453 4.095703
141.2274 27.15381
141.7095 61.52148
142.1916 101.0864
142.6737 142.7910
143.1558 204.3428
143.6380 282.9375
144.1201 381.7983
144.6022 510.3257
145.0843 691.8564
145.5664 820.6660
146.0485 918.3931
146.5307 964.9185
147.0128 1029.389
147.4949 1114.756
147.9770 1217.013
148.4591 1323.727
148.9412 1443.578
149.4234 1560.845
149.9055 1668.640
150.3876 1754.436
150.8697 1846.063
151.3518 1940.033
151.8339 2038.154
152.3161 2152.194
152.7982 2301.063
153.2803 2458.894
153.7624 2607.166
154.2445 2737.735
154.7266 2864.184
155.2087 2986.912
155.6909 3104.112
156.1730 3221.977
156.6551 3345.016
157.1372 3467.939
157.6193 3586.074
158.1014 3695.629
158.5836 3800.896
159.0657 3907.898
159.5478 4023.685
160.0299 4118.520
160.5120 4184.956
160.9941 4222.810
161.4763 4231.553
161.9584 4203.395
162.4405 4150.993
162.9226 4083.719
163.4047 4001.446
163.8868 3904.136
164.3690 3790.138
164.8511 3663.410
165.3332 3525.148
165.8153 3387.549
166.2974 3252.675
166.7795 3105.676
167.2617 2946.026
167.7438 2774.102
168.2259 2595.297
168.7080 2437.929
169.1901 2295.744
169.6722 2163.094
170.1544 2036.002
170.6365 1907.427
171.1186 1791.434
171.6007 1682.849
172.0828 1570.836
172.5649 1461.257
173.0471 1355.600
173.5292 1255.864
174.0113 1163.534
174.4934 1081.796
174.9755 1026.364
175.4576 979.6614
175.9397 910.3850
176.4219 804.8428
176.9040 697.9175
177.3861 633.8481
177.8682 607.7305
178.3503 587.8584
178.8324 554.6128
179.3146 511.6633
179.7967 466.1709
180.2788 418.9729
180.7609 372.0151
181.2430 327.7280
181.7251 286.5000
182.2073 250.5813
182.6894 225.5618
183.1715 208.8945
183.6536 191.0476
184.1357 168.7302
184.6178 143.3464
185.1000 114.9338
185.5821 82.14014
186.0642 54.42676
186.5463 44.32129
187.0284 50.50000
187.5105 59.14136
187.9927 68.59863
188.4748 77.03516
188.9569 72.32983
189.4390 51.04932
189.9211 25.90552
190.4032 19.61084
190.8854 32.68311
191.3675 40.22632
191.8496 23.25415
192.3317 15.83154
192.8138 40.44165
193.2959 44.25708
193.7781 38.36499
194.2602 51.25024
194.7423 86.79004
195.2244 112.4382
195.7065 96.27441
196.1886 36.54541
196.6708 1.642822
197.1529 4.626221
197.6350 35.02271
198.1171 57.47217
198.5992 71.26685
199.0813 80.11108
199.5634 88.42847
200.0456 97.35327
200.5277 95.73169
201.0098 77.09229
201.4919 44.77979
201.9740 27.99854
202.4561 31.94434
202.9383 39.99292
203.4204 33.13672
203.9025 7.885254
204.3846 16.33350
204.8667 32.43237
205.3488 40.33960
205.8310 57.57031
206.3131 86.96069
206.7952 121.5566
207.2773 152.6377
207.7594 180.8374
208.2415 203.1736
208.7237 214.5823
209.2058 211.2463
209.6879 223.8594
210.1700 256.1792
210.6521 301.2676
211.1342 348.4504
211.6164 401.5901
212.0985 446.8057
212.5806 473.3630
213.0627 470.0613
213.5448 487.9873
214.0269 534.8601
214.5091 600.8804
214.9912 657.0669
215.4733 695.6375
215.9554 737.3394
216.4375 797.5994
216.9196 887.0532
217.4018 959.2717
217.8839 999.9868
218.3660 1019.845
218.8481 1074.307
219.3302 1176.335
219.8123 1293.052
220.2945 1399.419
220.7766 1485.351
221.2587 1585.063
221.7408 1707.163
222.2229 1850.301
222.7050 1982.362
223.1871 2108.544
223.6693 2219.035
224.1514 2311.142
224.6335 2400.034
225.1156 2437.643
225.5977 2411.485
226.0798 2320.931
226.5620 2201.638
227.0441 2039.480
227.5262 1863.902
228.0083 1704.147
228.4904 1569.042
228.9725 1436.316
229.4547 1296.595
229.9368 1143.831
230.4189 1022.192
230.9010 940.8232
231.3831 882.5083
231.8652 822.9646
232.3474 754.1621
232.8295 696.2700
233.3116 655.2190
233.7937 631.4106
234.2758 619.8652
234.7579 629.7422
235.2401 647.4004
235.7222 647.1829
236.2043 615.5659
236.6864 587.0205
237.1685 574.7729
237.6507 586.4858
238.1328 592.1912
238.6149 585.3059
239.0970 574.6663
239.5791 581.5815
240.0612 615.7705
240.5434 653.3938
241.0255 684.6172
241.5076 708.1721
241.9897 728.5051
242.4718 743.2876
242.9539 755.4624
243.4360 773.9734
243.9182 803.2290
244.4003 832.0193
244.8824 853.7495
245.3645 859.3672
245.8466 877.8943
246.3287 910.6067
246.8109 956.9688
247.2930 1016.463
247.7751 1093.125
248.2572 1175.923
248.7393 1260.688
249.2214 1351.486
249.7036 1432.000
250.1857 1499.483
250.6678 1554.036
251.1499 1600.309
251.6320 1646.627
252.1141 1673.762
252.5963 1666.445
253.0784 1618.084
253.5605 1555.270
254.0426 1484.113
254.5247 1402.647
255.0068 1295.894
255.4890 1146.688
255.9711 991.8530
256.4532 857.4951
256.9353 744.6160
257.4174 650.9751
257.8995 579.7415
258.3817 530.2578
258.8638 476.4539
259.3459 413.8206
259.8280 354.2769
260.3101 307.7925
260.7922 277.7329
261.2744 252.7383
261.7565 234.4126
262.2386 221.8711
262.7207 201.0359
263.2028 166.7461
263.6849 130.6797
264.1671 102.9224
264.6492 83.03784
265.1313 73.11475
265.6134 77.41309
266.0955 95.08032
266.5776 102.4011
267.0598 95.62183
267.5419 84.59570
268.0240 80.77832
268.5061 86.54492
268.9882 90.94482
269.4703 91.20508
269.9525 87.42871
270.4346 81.98096
270.9167 74.27881
271.3988 66.10449
271.8809 57.92139
272.3630 48.36475
272.8452 46.46191
273.3273 59.18311
273.8094 85.57764
274.2915 98.55029
274.7736 95.21631
275.2557 84.88135
275.7379 80.16943
276.2200 82.23682
276.7021 80.89453
277.1842 68.24463
277.6663 45.98584
278.1484 44.38623
278.6305 69.77246
279.1126 99.29248
279.5948 97.51855
280.0769 62.03125
280.5590 30.05078
281.0411 17.53516
281.5232 22.39258
282.0053 21.42773
282.4875 13.09961
282.9696 3.628418
283.4517 2.464355
283.9338 9.607910
284.4159 16.34814
284.8980 21.61572
285.3802 24.39844
285.8623 14.85596
286.3444 9.708008
286.8265 36.02393
287.3086 45.65918
287.7907 39.65527
288.2729 31.34912
288.7550 26.35352
289.2371 23.69629
289.7192 21.59961
290.2013 21.22266
290.6834 16.15283
291.1656 7.429688
291.6477 45.84473
292.1298 77.05811
292.6119 84.78760
293.0940 77.92383
293.5761 80.15625
294.0583 92.64990
294.5404 110.2764
295.0225 131.8979
295.5046 155.3604
295.9867 171.8242
296.4688 174.1191
296.9510 167.5547
297.4331 163.3418
297.9152 162.6045
298.3973 158.1597
298.8794 141.8120
299.3615 115.9150
299.8437 86.51709
300.3258 44.50391
300.8079 5.395996
301.2900 4.816406
301.7721 17.77686
302.2542 44.15186
302.7364 45.56934
303.2185 31.59570
303.7006 21.87793
304.1827 30.55176
304.6648 45.14990
305.1469 53.45654
305.6291 54.70703
306.1112 51.70312
306.5933 40.26611
307.0754 26.60840
307.5575 21.33789
308.0396 37.79932
308.5218 58.67188
309.0039 68.86230
309.4860 66.83203
309.9681 66.50195
310.4502 81.68994
310.9323 102.5830
311.4145 115.4854
311.8966 105.0562
312.3787 93.02637
312.8608 89.21094
313.3429 93.96338
313.8250 111.2515
314.3072 161.5825
314.7893 219.6528
315.2714 256.2148
315.7535 240.8335
316.2356 220.1318
316.7177 210.2441
317.1999 211.9863
317.6820 225.4775
318.1641 261.1387
318.6462 304.3403
319.1283 340.2319
319.6104 365.4536
320.0926 382.8999
320.5747 389.1372
321.0568 383.4336
321.5389 385.1069
322.0210 404.4111
322.5031 429.3564
322.9852 449.3726
323.4673 462.2202
323.9495 471.8438
324.4316 476.9580
324.9137 478.1992
325.3958 483.9707
325.8779 503.3828
326.3600 521.0493
326.8422 524.7168
327.3243 495.9858
327.8064 480.0464
328.2885 491.8477
328.7706 530.6787
329.2527 542.8501
329.7349 508.4741
330.2170 464.5459
330.6991 437.1523
331.1812 434.8999
331.6633 432.7969
332.1454 426.5278
332.6276 417.0298
333.1097 413.2041
333.5918 420.5225
334.0739 425.8452
334.5560 418.0229
335.0381 390.6274
335.5203 372.9824
336.0024 374.7251
336.4845 387.2056
336.9666 372.3721
337.4487 320.4185
337.9308 269.2627
338.4130 247.4009
338.8951 257.8760
339.3772 263.9189
339.8593 261.6416
340.3414 253.1973
340.8235 237.9458
341.3057 213.5552
341.7878 204.2295
342.2699 239.4604
342.7520 312.8989
343.2341 349.6519
343.7162 334.3994
344.1984 296.8579
344.6805 291.3623
345.1626 316.8765
345.6447 341.5049
346.1268 342.6953
346.6089 328.0112
347.0911 320.6636
347.5732 323.7710
348.0553 328.9966
348.5374 323.8994
349.0195 312.3530
349.5016 305.2524
349.9838 310.8311
350.4659 323.7803
350.9480 337.3975
351.4301 351.9438
351.9122 364.3823
352.3943 369.8960
352.8765 371.2871
353.3586 374.3594
353.8407 381.0767
354.3228 390.9399
354.8049 401.7578
355.2870 413.0972
355.7692 431.7578
356.2513 467.9458
356.7334 512.5088
357.2155 553.4194
357.6976 580.8608
358.1797 607.6069
358.6619 640.3013
359.1440 679.0474
359.6261 721.0854
360.1082 762.1216
360.5903 806.7437
361.0724 859.1250
361.5546 920.6885
362.0367 989.8726
362.5188 1067.934
363.0009 1154.364
363.4830 1244.669
363.9651 1343.958
364.4473 1442.981
364.9294 1536.372
365.4115 1646.589
365.8936 1723.267
366.3757 1760.709
366.8578 1760.925
367.3399 1734.228
367.8221 1671.525
368.3042 1590.344
368.7863 1497.639
369.2684 1389.713
369.7505 1275.583
370.2326 1154.420
370.7148 1028.875
371.1969 905.5435
371.6790 778.6748
372.1611 666.5913
372.6432 579.6875
373.1253 524.9600
373.6075 468.5044
374.0896 407.5527
374.5717 348.5713
375.0538 304.2744
375.5359 277.7471
376.0180 249.9785
376.5002 209.5020
376.9823 157.6689
377.4644 121.9663
377.9465 105.6675
378.4286 95.54590
378.9107 72.09277
379.3929 36.56104
379.8750 11.00000
380.3571 8.718750
380.8392 20.27002
381.3213 17.67578
381.8034 0.3227540
382.2856 18.85205
382.7677 31.50586
383.2498 36.83545
383.7319 31.11963
384.2140 2.557617
384.6961 27.09424
385.1783 24.21680
385.6604 7.337891
386.1425 36.51611
386.6246 38.06787
387.1067 26.83984
387.5888 22.36475
388.0710 33.69775
388.5531 45.22803
389.0352 45.73242
389.5173 37.42480
389.9994 26.85107
390.4815 14.96094
390.9637 3.336426
391.4458 7.131836
391.9279 16.58936
392.4100 23.90479
392.8921 25.81250
393.3742 25.43604
393.8564 28.31201
394.3385 34.14844
394.8206 44.77002
395.3027 63.98193
395.7848 97.05078
396.2669 118.4575
396.7491 100.6426
397.2312 79.67920
397.7133 98.30908
398.1954 201.4761
398.6775 287.8789
399.1596 333.9458
399.6418 338.4858
400.1239 354.8433
400.6060 390.9897
401.0881 430.3809
401.5702 457.0571
402.0523 461.9800
402.5345 480.0537
403.0166 518.9321
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404.4629 686.1538
404.9450 735.5820
405.4272 771.8535
405.9093 794.8271
406.3914 807.5708
406.8735 808.5830
407.3556 802.1562
407.8377 796.9956
408.3199 792.7661
408.8020 783.1606
409.2841 764.6670
409.7662 738.0674
410.2483 705.3076
410.7304 666.3984
411.2126 623.4478
411.6946 568.0781
412.1768 509.7520
412.6589 471.5864
413.1410 477.9858
413.6231 502.2188
414.1052 516.1714
414.5873 519.7349
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415.5516 542.3398
416.0337 563.9644
416.5158 577.7549
416.9979 573.0552
417.4800 566.9756
417.9622 563.4722
418.4443 563.8862
418.9264 574.9971
419.4085 614.2554
419.8906 654.7466
420.3727 679.1797
420.8549 673.3931
421.3370 669.8613
421.8191 678.1611
422.3012 692.5312
422.7833 697.2539
423.2654 683.4595
423.7476 665.7153
424.2297 647.7339
424.7118 628.2383
425.1939 613.4170
425.6760 604.9341
426.1581 601.1138
426.6403 598.8818
427.1224 598.5527
427.6045 593.4258
428.0866 580.2627
428.5687 560.0625
429.0508 542.5791
429.5330 526.4023
430.0151 519.5894
430.4972 535.2188
430.9793 571.6743
431.4614 595.4155
431.9435 595.7881
432.4257 585.1499
432.9078 591.6279
433.3899 614.7383
433.8720 636.9385
434.3541 639.5381
434.8362 631.9517
435.3184 636.2026
435.8005 656.4453
436.2826 683.7441
436.7647 716.4360
437.2468 750.0659
437.7289 773.6230
438.2111 775.3643
438.6932 770.4761
439.1753 771.8491
439.6574 780.0610
440.1395 780.6665
440.6216 757.3745
441.1038 728.1265
441.5859 711.8232
442.0680 730.9204
442.5501 746.2046
443.0322 746.7261
443.5143 733.3594
443.9965 713.5410
444.4786 678.5957
444.9607 648.3525
445.4428 632.2158
445.9249 638.0815
446.4070 642.9780
446.8892 650.5361
447.3713 657.4209
447.8534 654.3721
448.3355 634.6421
448.8176 618.0767
449.2997 610.3667
449.7819 611.6069
450.2640 621.7466
450.7461 644.7456
451.2282 668.3936
451.7103 677.2900
452.1924 671.1895
452.6746 662.6465
453.1567 652.2930
453.6388 643.1279
454.1209 644.6709
454.6030 656.7715
455.0851 670.9897
455.5673 682.5034
456.0494 691.2588
456.5315 698.2412
457.0136 704.6123
457.4957 706.1543
457.9778 700.4028
458.4599 686.8320
458.9420 663.9517
459.4242 623.6128
459.9063 578.8320
460.3884 538.2930
460.8705 502.6064
461.3526 473.8555
461.8347 464.8545
462.3169 459.1890
462.7990 439.7925
463.2811 383.4966
463.7632 333.2334
464.2453 299.0645
464.7274 280.4468
465.2096 267.9253
465.6917 270.2153
466.1738 270.4277
466.6559 259.3613
467.1380 223.7349
467.6201 203.0200
468.1023 204.2603
468.5844 216.1733
469.0665 214.2871
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1292.521 0.0000000E+00
