#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:52:39 +0300 (Thu, 07 Jun 2018) $
#$Revision: 982 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000440.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_1000440
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 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            R050316.rod
_rod_data_source.block           3500000
_rod_database.code               1000440
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
106.8170 0.0000000E+00
107.2991 1.121330
107.7813 2.174366
108.2634 2.786598
108.7455 2.748653
109.2276 2.242878
109.7097 1.063683
110.1918 7.8277998E-02
110.6740 0.5543210
111.1561 0.9974980
111.6382 0.9999470
112.1203 0.6939930
112.6024 1.7227000E-02
113.0845 1.335091
113.5667 3.327881
114.0488 6.005646
114.5309 9.453110
115.0130 14.32101
115.4951 19.28713
115.9772 23.82871
116.4594 28.01055
116.9415 32.61806
117.4236 38.09120
117.9057 44.09087
118.3878 50.22200
118.8699 55.72112
119.3521 61.85173
119.8342 69.41488
120.3163 78.48795
120.7984 88.63715
121.2805 99.96132
121.7626 112.1560
122.2448 124.7027
122.7269 138.4639
123.2090 151.9202
123.6911 163.4868
124.1732 172.8306
124.6553 180.9712
125.1375 188.8143
125.6196 196.2255
126.1017 202.7811
126.5838 207.9887
127.0659 212.2057
127.5480 216.0389
128.0302 219.5091
128.5123 222.8370
128.9944 226.7038
129.4765 230.9820
129.9586 234.4617
130.4407 236.5438
130.9229 237.1725
131.4050 235.9749
131.8871 232.4887
132.3692 227.5099
132.8513 222.6682
133.3334 217.4070
133.8156 210.7424
134.2977 203.1437
134.7798 195.8410
135.2619 189.2143
135.7440 182.9657
136.2261 177.4597
136.7083 174.2097
137.1904 173.3497
137.6725 174.1406
138.1546 176.0254
138.6367 179.1238
139.1188 182.6030
139.6010 185.8911
140.0831 188.9516
140.5652 194.6802
141.0473 203.7249
141.5294 214.5430
142.0115 225.0388
142.4937 235.1129
142.9758 245.3131
143.4579 255.8092
143.9400 266.4178
144.4221 277.8718
144.9042 290.1147
145.3864 303.2151
145.8685 317.0387
146.3506 332.0408
146.8327 347.2812
147.3148 362.6527
147.7969 378.1090
148.2791 393.5493
148.7612 408.3379
149.2433 423.0923
149.7254 439.5497
150.2075 457.7968
150.6896 477.5727
151.1718 498.7299
151.6539 522.4710
152.1360 545.7202
152.6181 567.5930
153.1002 588.8277
153.5823 611.4928
154.0645 636.1973
154.5466 662.2707
155.0287 689.3285
155.5108 718.4224
155.9929 747.6928
156.4750 776.4229
156.9572 804.9099
157.4393 833.7631
157.9214 865.4312
158.4035 896.4089
158.8856 924.6100
159.3677 949.8442
159.8499 972.1459
160.3320 991.8081
160.8141 1008.669
161.2962 1021.461
161.7783 1031.346
162.2604 1036.134
162.7426 1034.014
163.2247 1024.490
163.7068 1008.026
164.1889 983.4281
164.6710 950.7524
165.1531 914.6256
165.6353 875.5250
166.1174 834.6016
166.5995 793.0926
167.0816 750.6505
167.5637 708.3340
168.0458 666.2454
168.5280 624.7525
169.0101 584.5131
169.4922 546.3462
169.9743 510.0243
170.4564 475.4760
170.9385 442.5074
171.4207 411.3676
171.9028 382.1942
172.3849 355.1366
172.8670 330.0496
173.3491 306.7548
173.8312 285.1608
174.3134 265.0154
174.7955 246.5404
175.2776 229.4887
175.7597 213.9287
176.2418 199.8411
176.7239 186.5210
177.2061 172.5372
177.6882 158.3593
178.1703 145.5292
178.6524 135.1204
179.1345 126.2804
179.6166 117.8916
180.0988 109.8704
180.5809 101.9497
181.0630 93.40210
181.5451 84.46521
182.0272 76.46452
182.5093 70.16870
182.9915 65.21107
183.4736 61.03915
183.9557 57.74994
184.4378 54.58832
184.9199 50.28246
185.4020 45.04974
185.8842 39.85712
186.3663 35.23935
186.8484 31.10730
187.3305 27.31850
187.8126 23.81792
188.2947 20.66267
188.7769 18.12250
189.2590 16.16365
189.7411 14.08083
190.2232 11.04530
190.7053 7.334854
191.1874 4.756989
191.6696 3.616760
192.1517 3.297333
192.6338 2.781372
193.1159 2.070129
193.5980 1.147903
194.0801 0.2013700
194.5623 1.914398
195.0444 3.140091
195.5265 3.744720
196.0086 3.896576
196.4907 3.872284
196.9728 3.652969
197.4550 3.426392
197.9371 3.363876
198.4192 3.471741
198.9013 3.414368
199.3834 3.215805
199.8655 2.786758
200.3477 1.808701
200.8298 0.1852870
201.3119 1.551056
201.7940 2.780441
202.2761 3.340393
202.7582 5.384567
203.2404 9.561905
203.7225 14.99826
204.2046 19.06985
204.6867 21.35066
205.1688 23.74944
205.6509 27.50018
206.1331 32.80698
206.6152 38.25478
207.0973 43.81659
207.5794 49.39833
208.0615 54.66084
208.5436 59.49960
209.0258 64.31804
209.5079 69.34731
209.9900 74.62982
210.4721 80.01302
210.9542 85.26637
211.4363 90.61655
211.9185 97.07259
212.4006 105.0528
212.8827 113.2911
213.3648 120.5884
213.8469 126.3723
214.3290 133.5596
214.8112 142.6477
215.2933 153.1393
215.7754 163.6323
216.2575 173.8486
216.7396 184.9835
217.2217 197.6046
217.7038 211.8584
218.1860 226.3555
218.6681 240.8914
219.1502 255.7283
219.6323 271.5015
220.1144 288.5911
220.5965 305.7126
221.0787 321.8005
221.5608 336.0364
222.0429 351.4203
222.5250 368.7652
223.0071 387.3362
223.4892 404.1529
223.9714 420.7062
224.4535 433.3728
224.9356 441.1131
225.4177 446.2192
225.8998 440.4570
226.3819 421.3644
226.8641 391.2646
227.3462 358.2308
227.8283 320.1105
228.3104 282.3535
228.7925 247.8978
229.2746 215.6179
229.7568 188.4416
230.2389 166.8686
230.7210 150.0445
231.2031 136.2402
231.6852 126.2054
232.1673 118.1374
232.6495 111.3032
233.1316 105.6842
233.6137 101.4187
234.0958 98.89799
234.5779 97.70364
235.0600 96.68700
235.5422 95.71846
236.0243 95.09702
236.5064 94.97289
236.9885 95.48592
237.4706 96.14165
237.9527 96.63770
238.4349 97.35429
238.9170 99.27895
239.3991 102.7414
239.8812 106.9181
240.3633 111.5230
240.8454 116.6675
241.3276 121.8980
241.8097 126.7791
242.2918 131.8429
242.7739 138.3220
243.2560 146.9677
243.7381 155.9044
244.2203 164.1828
244.7024 170.8098
245.1845 179.6057
245.6666 191.1888
246.1487 204.5986
246.6308 218.1627
247.1130 231.2197
247.5951 245.6310
248.0772 262.4951
248.5593 283.3717
249.0414 301.3815
249.5235 316.5170
250.0057 328.7690
250.4878 338.8417
250.9699 348.8427
251.4520 352.8972
251.9341 349.0018
252.4162 336.6138
252.8984 318.5630
253.3805 292.8471
253.8626 262.7946
254.3447 233.6398
254.8268 204.1960
255.3089 177.1812
255.7911 153.8389
256.2732 134.3257
256.7553 116.0158
257.2374 98.47771
257.7195 82.52111
258.2017 69.18613
258.6838 58.81836
259.1659 50.02620
259.6480 42.51497
260.1301 36.36793
260.6122 31.00247
261.0944 26.50165
261.5765 22.65964
262.0586 19.33422
262.5407 16.75016
263.0228 14.05475
263.5049 10.90355
263.9871 7.321648
264.4692 4.747902
264.9513 3.397903
265.4334 2.667923
265.9155 2.079437
266.3976 1.757492
266.8798 1.182434
267.3619 0.1539760
267.8440 1.247253
268.3261 2.247566
268.8082 2.756569
269.2903 3.054504
269.7725 3.361488
270.2546 3.701614
270.7367 3.919350
271.2188 4.006744
271.7009 3.950623
272.1830 3.546455
272.6652 2.551308
273.1473 1.880486
273.6294 2.551147
274.1115 4.988533
274.5936 5.972603
275.0757 4.737900
275.5579 2.176826
276.0400 0.9259490
276.5221 1.207886
277.0042 1.901161
277.4863 2.449776
277.9684 2.859093
278.4506 3.032158
278.9327 2.900230
279.4148 2.606789
279.8969 2.478645
280.3790 2.545067
280.8611 2.565559
281.3433 2.323784
281.8254 1.823074
282.3075 1.686531
282.7896 2.048309
283.2717 2.517563
283.7538 2.462585
284.2360 1.870300
284.7181 1.088127
285.2002 9.7511001E-02
285.6823 1.038139
286.1644 1.584953
286.6465 1.387642
287.1287 1.147591
287.6108 1.856049
288.0929 3.466393
288.5750 5.151596
289.0571 6.711205
289.5392 8.109329
290.0214 8.933189
290.5035 9.074837
290.9856 9.488380
291.4677 11.36704
291.9498 14.52287
292.4319 17.71591
292.9141 20.58868
293.3962 23.27366
293.8783 26.25183
294.3604 29.51991
294.8425 32.42255
295.3246 34.44991
295.8068 35.68591
296.2889 36.46021
296.7710 37.13907
297.2531 37.07249
297.7352 34.81896
298.2173 30.56979
298.6995 25.81836
299.1816 21.17419
299.6637 16.86134
300.1458 13.49804
300.6279 11.24542
301.1100 9.777992
301.5922 8.776276
302.0743 8.245422
302.5564 8.209831
303.0385 9.023193
303.5206 10.22581
304.0027 11.13917
304.4849 11.60763
304.9670 12.02846
305.4491 12.78208
305.9312 13.77605
306.4133 14.78864
306.8954 15.65263
307.3776 16.51614
307.8597 17.49137
308.3418 18.59383
308.8239 19.85011
309.3060 21.52505
309.7881 23.34686
310.2703 24.82949
310.7524 25.02729
311.2345 25.38796
311.7166 27.19442
312.1987 30.41207
312.6808 33.57774
313.1630 35.82408
313.6451 37.62796
314.1272 39.51782
314.6093 41.36784
315.0914 43.59217
315.5735 46.61783
316.0557 50.28616
316.5378 53.76131
317.0199 56.36298
317.5020 58.81006
317.9841 61.69715
318.4662 65.41789
318.9484 69.10861
319.4305 72.47488
319.9126 75.59393
320.3947 78.66805
320.8768 82.00218
321.3589 85.12121
321.8411 87.70905
322.3232 89.36713
322.8053 91.30880
323.2874 94.02444
323.7695 97.11430
324.2516 99.94370
324.7338 102.4994
325.2159 104.6360
325.6980 106.2931
326.1801 107.4442
326.6622 108.4212
327.1443 109.1503
327.6265 109.7419
328.1086 110.3245
328.5907 111.8070
329.0728 112.3148
329.5549 111.2944
330.0370 108.7262
330.5192 106.3192
331.0013 104.0430
331.4834 101.7749
331.9655 99.40108
332.4476 97.36088
332.9297 94.81933
333.4119 91.42501
333.8940 87.47030
334.3761 84.56684
334.8582 83.38169
335.3403 82.20803
335.8224 80.09938
336.3046 76.59449
336.7867 73.60695
337.2688 71.29486
337.7509 69.41522
338.2330 67.39855
338.7151 65.12981
339.1973 63.15575
339.6794 61.84514
340.1615 61.23410
340.6436 59.95630
341.1257 57.73594
341.6078 55.48349
342.0899 54.40485
342.5721 54.57791
343.0542 55.18648
343.5363 56.11097
344.0184 57.22981
344.5005 58.08572
344.9826 58.61476
345.4648 59.30751
345.9469 60.70598
346.4290 62.72795
346.9111 64.57951
347.3932 65.99869
347.8753 67.30339
348.3575 69.16017
348.8396 71.51717
349.3217 73.91562
349.8038 76.00549
350.2859 77.85838
350.7680 79.62923
351.2502 81.30615
351.7323 83.00545
352.2144 84.89494
352.6965 86.93468
353.1786 88.94127
353.6607 90.60802
354.1429 92.29907
354.6250 94.47891
355.1071 97.17577
355.5892 100.1756
356.0713 103.1018
356.5534 106.2739
357.0356 110.1608
357.5177 114.8737
357.9998 120.4383
358.4819 126.8785
358.9640 134.1520
359.4461 141.8799
359.9283 149.3132
360.4104 157.4274
360.8925 167.1051
361.3746 178.9851
361.8567 191.6776
362.3388 204.6761
362.8210 218.0091
363.3031 232.0503
363.7852 248.1666
364.2673 263.9936
364.7494 278.6305
365.2315 292.1631
365.7137 303.8712
366.1958 314.5976
366.6779 322.9593
367.1600 327.4251
367.6421 329.1518
368.1242 325.6013
368.6064 315.6428
369.0885 299.0018
369.5706 279.4142
370.0527 254.1507
370.5348 227.9585
371.0169 203.5182
371.4991 181.3479
371.9812 160.4478
372.4633 140.4449
372.9454 121.6098
373.4275 105.4138
373.9096 92.47433
374.3918 80.79260
374.8739 69.66191
375.3560 58.78543
375.8381 49.22099
376.3202 41.14624
376.8023 34.27911
377.2845 28.30571
377.7666 23.31540
378.2487 18.98170
378.7308 15.38855
379.2129 12.42183
379.6950 9.591827
380.1772 6.826080
380.6593 4.450348
381.1414 2.928574
381.6235 2.175064
382.1056 1.253571
382.5877 0.1031340
383.0699 1.607330
383.5520 2.764389
384.0341 3.588638
384.5162 4.142212
384.9983 4.316055
385.4804 4.271332
385.9626 4.406708
386.4447 4.805725
386.9268 5.147903
387.4089 5.154022
387.8910 4.855530
388.3731 4.325775
388.8553 3.501480
389.3374 2.521301
389.8195 1.603546
390.3016 0.7436220
390.7837 0.4055330
391.2658 2.309006
391.7480 4.492630
392.2301 6.425735
392.7122 7.524536
393.1943 8.951660
393.6764 11.54893
394.1585 14.95222
394.6407 18.06540
395.1228 19.75957
395.6049 21.68469
396.0870 24.92563
396.5691 30.19418
397.0512 34.78485
397.5334 37.09770
398.0155 38.82063
398.4976 42.02676
398.9797 48.16911
399.4618 54.49863
399.9439 60.27914
400.4261 65.51050
400.9082 71.83214
401.3903 79.96960
401.8724 88.50012
402.3545 96.51486
402.8366 103.4933
403.3188 110.9011
403.8009 118.8622
404.2830 127.2764
404.7651 136.1888
405.2472 146.0316
405.7293 154.8972
406.2115 162.0165
406.6936 167.3147
407.1757 171.5009
407.6578 174.5794
408.1399 176.5592
408.6220 177.4301
409.1042 177.1996
409.5863 176.0923
410.0684 174.0420
410.5505 171.2504
411.0326 167.8062
411.5147 163.7254
411.9969 159.9250
412.4790 157.2016
412.9611 155.1950
413.4432 152.9136
413.9253 150.0097
414.4074 147.5905
414.8896 146.9376
415.3717 147.6813
415.8538 148.9762
416.3359 150.8579
416.8180 152.8210
417.3001 154.3602
417.7823 155.4926
418.2644 156.4889
418.7465 157.9019
419.2286 159.1026
419.7107 159.4578
420.1928 158.5673
420.6750 157.1300
421.1571 155.3143
421.6392 153.1625
422.1213 150.7656
422.6034 148.4248
423.0855 145.6349
423.5677 142.1548
424.0498 137.8548
424.5319 133.1974
425.0140 127.3805
425.4961 121.5467
425.9782 116.8560
426.4604 114.0201
426.9425 111.3562
427.4246 108.5902
427.9067 105.7844
428.3888 103.5284
428.8709 101.7745
429.3531 100.5642
429.8352 99.97438
430.3173 100.2163
430.7994 100.1967
431.2815 99.68503
431.7636 99.22238
432.2458 99.76105
432.7279 101.3342
433.2100 103.2421
433.6921 105.4334
434.1742 107.7577
434.6563 109.5039
435.1385 110.6753
435.6206 111.7406
436.1027 113.0880
436.5848 114.6358
437.0669 116.2349
437.5490 117.9763
438.0312 119.5883
438.5133 120.4772
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