#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:22:25 +0300 (Thu, 24 May 2018) $
#$Revision: 686 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100022.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100022
loop_
_publ_author_name
'Protas, J.'
'Gindt, R.'
_publ_section_title
;
 Structure cristalline de la brassite, MgHAsO4*4H2O, produit de
 deshydratation de la roesslerite Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1460
_journal_page_last               1466
_journal_paper_doi               10.1107/S0567740876005566
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        R060042
_chemical_formula_sum            'As H9 Mg O8'
_chemical_name_mineral           Brassite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.472
_cell_length_b                   10.891
_cell_length_c                   16.5850
_cell_volume                     1349.647
_exptl_crystal_density_diffrn    2.326
_cod_original_formula_sum        'Mg As O8 H9'
_cod_database_code               9007613
_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            R060042.rod
_rod_data_source.block           3500000
_rod_database.code               2100022
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 9007613 COD http://www.crystallography.net/cod/9007613.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
162.6575 0.0000000E+00
163.1396 2.828125
163.6217 0.7358400
164.1039 0.5122070
164.5860 5.326660
165.0681 11.77832
165.5502 14.39160
166.0323 14.81201
166.5145 19.03076
166.9966 23.00488
167.4787 25.31299
167.9608 28.18701
168.4429 31.47656
168.9250 32.32959
169.4071 24.57617
169.8893 13.03418
170.3714 5.141602
170.8535 6.265625
171.3356 10.96436
171.8177 14.31201
172.2998 15.52686
172.7820 18.31787
173.2641 26.11475
173.7462 37.59180
174.2283 50.04248
174.7104 65.48047
175.1925 79.98389
175.6747 86.77490
176.1568 83.46973
176.6389 80.69287
177.1210 91.46143
177.6031 111.7905
178.0852 129.8389
178.5674 136.7124
179.0495 137.8076
179.5316 142.5493
180.0137 153.3018
180.4958 164.2539
180.9779 168.8647
181.4601 167.8784
181.9422 164.5020
182.4243 160.2705
182.9064 155.2363
183.3885 148.8706
183.8706 140.1455
184.3528 131.9141
184.8349 130.2046
185.3170 135.2573
185.7991 138.4233
186.2812 130.0083
186.7633 114.9570
187.2455 110.6943
187.7276 122.7881
188.2097 139.9248
188.6918 145.2109
189.1739 143.7437
189.6560 136.3081
190.1382 129.7319
190.6203 127.9424
191.1024 126.3872
191.5845 124.5063
192.0666 123.6162
192.5487 124.1880
193.0309 124.3574
193.5130 126.2529
193.9951 131.5439
194.4772 139.9639
194.9593 149.6377
195.4414 160.9790
195.9236 172.3066
196.4057 178.3159
196.8878 177.6240
197.3699 174.7217
197.8520 172.6265
198.3341 171.6787
198.8163 170.2783
199.2984 167.2998
199.7805 163.4517
200.2626 163.4570
200.7447 168.6250
201.2268 172.3257
201.7090 166.8159
202.1911 151.0562
202.6732 136.1196
203.1553 124.4351
203.6374 115.7388
204.1195 108.2725
204.6017 102.0562
205.0838 97.22900
205.5659 95.35596
206.0480 97.75342
206.5301 95.32129
207.0122 83.45020
207.4944 63.60889
207.9765 53.04932
208.4586 54.23242
208.9407 59.56934
209.4228 61.99316
209.9049 61.63818
210.3871 57.53223
210.8692 48.04443
211.3513 33.53662
211.8334 22.18457
212.3155 14.11914
212.7976 9.059570
213.2798 7.962891
213.7619 13.31982
214.2440 14.90234
214.7261 8.307129
215.2082 6.594727
215.6903 12.83447
216.1725 6.510742
216.6546 2.969238
217.1367 4.234375
217.6188 6.762695
218.1009 15.56055
218.5830 18.37500
219.0651 14.85303
219.5473 11.40527
220.0294 7.377441
220.5115 2.566895
220.9936 0.8569340
221.4757 4.019043
221.9578 6.204590
222.4400 5.546387
222.9221 1.715820
223.4042 0.4248050
223.8863 0.2773440
224.3684 0.7724610
224.8505 0.7758790
225.3327 1.308105
225.8148 2.350098
226.2969 1.449219
226.7790 1.383301
227.2611 4.144531
227.7432 7.023926
228.2254 9.395996
228.7075 10.40479
229.1896 9.721191
229.6717 7.752441
230.1538 3.990234
230.6359 1.858887
231.1181 6.246582
231.6002 8.308105
232.0823 9.605957
232.5644 12.06104
233.0465 16.92578
233.5286 20.35352
234.0108 20.11084
234.4929 15.39062
234.9750 16.39941
235.4571 25.18799
235.9392 37.38525
236.4213 48.74023
236.9035 59.17578
237.3856 68.82812
237.8677 78.54199
238.3498 88.90381
238.8319 93.55469
239.3140 88.80566
239.7962 81.92773
240.2783 80.45703
240.7604 86.23535
241.2425 94.23047
241.7246 104.9688
242.2067 119.0688
242.6889 126.5288
243.1710 123.5801
243.6531 117.4849
244.1352 115.8101
244.6173 121.9185
245.0994 125.5361
245.5816 122.6934
246.0637 113.1035
246.5458 111.8301
247.0279 125.2441
247.5100 140.4639
247.9921 144.6758
248.4743 132.3662
248.9564 120.5586
249.4385 113.0010
249.9206 109.5840
250.4027 102.2090
250.8848 87.96973
251.3670 73.19629
251.8491 63.30762
252.3312 59.04102
252.8133 58.19434
253.2954 61.45215
253.7775 68.46680
254.2597 73.73828
254.7418 75.42676
255.2239 77.62402
255.7060 84.33203
256.1881 99.14648
256.6702 109.7070
257.1523 112.9727
257.6345 109.9619
258.1166 110.0059
258.5987 114.5293
259.0808 119.8330
259.5629 122.4727
260.0450 119.4336
260.5272 122.0898
261.0093 134.6260
261.4914 154.3320
261.9735 165.4814
262.4556 165.8779
262.9377 161.5811
263.4199 154.4229
263.9020 140.8291
264.3841 136.5566
264.8662 146.8340
265.3483 166.7393
265.8304 177.7275
266.3126 176.5068
266.7947 173.7822
267.2768 175.8691
267.7589 184.1172
268.2410 192.8398
268.7231 202.1865
269.2053 211.6396
269.6874 219.8965
270.1695 226.6406
270.6516 233.6748
271.1337 242.7061
271.6158 255.1191
272.0980 264.5654
272.5801 270.5605
273.0622 272.2676
273.5443 267.3516
274.0264 253.8018
274.5085 243.7910
274.9907 244.5332
275.4728 256.9619
275.9549 264.4189
276.4370 266.4424
276.9191 264.7295
277.4012 260.5352
277.8834 253.1738
278.3655 248.1230
278.8476 249.7188
279.3297 258.3604
279.8118 259.5186
280.2939 251.2686
280.7761 240.7695
281.2582 238.5176
281.7403 245.0410
282.2224 253.4805
282.7045 260.7705
283.1866 267.4170
283.6688 279.4541
284.1509 298.3477
284.6330 317.1895
285.1151 327.1123
285.5972 327.9932
286.0793 327.6660
286.5615 327.3604
287.0436 327.8584
287.5257 333.7803
288.0078 345.9639
288.4899 359.8652
288.9720 369.5332
289.4542 375.6035
289.9363 385.6562
290.4184 404.3086
290.9005 427.7305
291.3826 445.8906
291.8647 458.7461
292.3469 467.2451
292.8290 472.2119
293.3111 473.6543
293.7932 471.4561
294.2753 463.5449
294.7574 453.9678
295.2396 452.7002
295.7217 459.3018
296.2038 464.4990
296.6859 460.3340
297.1680 449.1338
297.6501 436.9209
298.1323 424.3438
298.6144 412.2090
299.0965 401.5771
299.5786 392.3994
300.0607 384.2207
300.5428 376.4971
301.0250 369.5576
301.5071 364.9307
301.9892 364.0459
302.4713 361.5859
302.9534 350.5146
303.4355 332.5117
303.9177 313.1084
304.3998 292.4912
304.8819 273.4287
305.3640 261.3682
305.8461 257.7686
306.3282 254.5332
306.8104 245.9316
307.2925 232.4834
307.7746 215.2549
308.2567 193.0410
308.7388 168.6318
309.2209 142.2471
309.7031 113.8359
310.1852 91.03516
310.6673 82.97461
311.1494 82.96582
311.6315 81.34766
312.1136 73.47656
312.5958 63.39062
313.0779 52.85352
313.5600 41.92188
314.0421 31.84961
314.5242 19.38281
315.0063 9.480469
315.4885 7.251953
315.9706 22.59473
316.4527 37.00684
316.9348 41.74609
317.4169 38.12988
317.8990 32.29102
318.3812 26.00098
318.8633 18.93262
319.3454 10.49902
319.8275 2.694336
320.3096 11.67969
320.7917 10.04395
321.2739 1.631836
321.7560 3.624023
322.2381 0.1328130
322.7202 4.814453
323.2023 6.495117
323.6844 3.558594
324.1666 0.1689450
324.6487 1.900391
325.1308 4.041016
325.6129 8.392578
326.0950 18.31641
326.5771 27.29297
327.0593 32.24023
327.5414 30.98145
328.0235 33.59375
328.5056 44.97852
328.9877 58.38867
329.4698 66.68262
329.9520 68.39746
330.4341 66.63965
330.9162 59.65332
331.3983 47.11914
331.8804 41.09766
332.3625 47.95410
332.8447 56.06641
333.3268 56.55469
333.8089 43.93359
334.2910 33.91016
334.7731 28.19629
335.2552 26.48633
335.7374 27.47363
336.2195 33.83398
336.7016 38.61914
337.1837 37.34961
337.6658 27.74805
338.1479 18.81055
338.6301 9.708008
339.1122 2.206055
339.5943 1.347656
340.0764 8.631836
340.5585 17.15918
341.0406 24.50488
341.5227 30.95898
342.0049 32.72852
342.4870 28.92969
342.9691 22.34570
343.4512 16.82031
343.9333 12.45996
344.4154 8.019531
344.8976 2.180664
345.3797 4.097656
345.8618 4.685547
346.3439 1.418945
346.8260 7.122070
347.3081 3.667969
347.7903 7.398438
348.2724 15.61230
348.7545 17.91211
349.2366 16.20605
349.7187 13.29785
350.2008 9.218750
350.6830 5.827148
351.1651 6.257813
351.6472 8.268555
352.1293 6.030273
352.6114 2.564453
353.0935 12.43750
353.5757 19.12793
354.0578 22.51270
354.5399 22.38379
355.0220 12.97559
355.5041 2.423828
355.9862 2.179688
356.4684 14.29297
356.9505 28.17773
357.4326 34.94238
357.9147 37.97852
358.3968 42.77734
358.8789 58.20410
359.3611 71.16992
359.8432 70.01660
360.3253 55.14941
360.8074 40.97363
361.2895 29.79688
361.7716 24.97852
362.2538 30.00000
362.7359 59.57812
363.2180 84.01270
363.7001 88.17871
364.1822 77.41602
364.6643 71.04688
365.1465 77.55957
365.6286 88.22070
366.1107 98.92578
366.5928 110.4717
367.0749 119.7881
367.5570 122.0576
368.0392 122.5713
368.5213 130.4580
369.0034 150.8535
369.4855 174.2256
369.9676 200.1660
370.4497 230.4004
370.9319 251.2627
371.4140 254.1299
371.8961 252.6377
372.3782 260.5713
372.8603 285.8789
373.3424 306.1172
373.8246 315.7930
374.3067 316.4492
374.7888 322.2148
375.2709 335.4482
375.7530 350.2744
376.2351 363.7959
376.7173 376.5879
377.1994 386.0039
377.6815 390.5371
378.1636 393.4424
378.6457 402.3320
379.1278 418.2061
379.6100 436.5410
380.0921 457.2344
380.5742 479.9434
381.0563 496.9326
381.5384 506.8848
382.0205 515.8945
382.5027 531.3613
382.9848 552.8018
383.4669 575.5830
383.9490 600.6611
384.4311 624.8301
384.9132 639.5059
385.3954 644.8389
385.8775 648.2598
386.3596 654.3184
386.8417 662.8135
387.3238 674.2559
387.8059 690.2432
388.2881 705.7861
388.7702 714.7354
389.2523 718.5000
389.7344 721.5381
390.2165 728.2148
390.6986 734.2637
391.1808 734.1895
391.6629 726.5693
392.1450 720.0645
392.6271 722.3242
393.1092 728.5811
393.5913 732.5625
394.0735 731.8496
394.5556 728.7910
395.0377 724.9961
395.5198 720.3877
396.0019 712.7529
396.4840 696.2744
396.9662 679.8984
397.4483 669.4473
397.9304 666.4785
398.4125 668.6123
398.8946 680.3984
399.3767 697.0566
399.8589 706.9453
400.3410 702.2568
400.8231 696.8496
401.3052 695.3955
401.7873 699.8926
402.2694 699.8105
402.7516 692.8604
403.2337 682.8623
403.7158 673.8369
404.1979 664.9873
404.6800 659.4307
405.1621 660.2139
405.6443 665.5205
406.1264 659.9043
406.6085 639.2451
407.0906 619.3682
407.5727 613.7197
408.0548 624.0488
408.5370 627.1221
409.0191 619.8691
409.5012 606.2910
409.9833 591.9004
410.4654 576.6777
410.9475 564.0547
411.4297 558.0098
411.9118 555.9844
412.3939 548.7832
412.8760 536.2314
413.3581 522.2676
413.8402 510.1709
414.3224 499.7803
414.8045 490.3975
415.2866 482.0410
415.7687 474.5400
416.2508 469.2051
416.7329 465.1553
417.2151 458.2617
417.6972 445.9922
418.1793 429.9893
418.6614 409.6328
419.1435 382.7715
419.6256 360.4551
420.1078 353.7881
420.5899 354.6680
421.0720 350.9053
421.5541 332.8096
422.0362 314.7080
422.5183 300.2812
423.0005 289.8145
423.4826 286.5088
423.9647 300.6465
424.4468 316.0518
424.9289 322.5010
425.4110 308.8730
425.8932 298.4072
426.3753 292.1475
426.8574 289.2627
427.3395 288.4844
427.8216 293.7471
428.3037 294.9834
428.7859 285.1953
429.2680 260.9229
429.7501 253.2266
430.2322 269.3887
430.7143 292.1113
431.1964 302.4590
431.6786 298.0352
432.1607 292.0059
432.6428 287.3965
433.1249 282.3438
433.6070 268.8496
434.0891 246.5811
434.5713 225.6123
435.0534 213.7402
435.5355 209.2910
436.0176 204.9590
436.4997 200.2607
436.9818 195.3350
437.4640 189.5088
437.9461 183.4971
438.4282 179.2754
438.9103 177.4561
439.3924 177.6807
439.8745 179.8955
440.3566 183.8838
440.8387 188.5654
441.3209 194.6299
441.8030 200.4248
442.2851 204.4023
442.7672 206.5391
443.2493 205.8613
443.7314 196.5537
444.2136 184.3955
444.6957 180.1621
445.1778 198.0762
445.6599 214.9492
446.1420 221.8379
446.6241 217.7412
447.1063 209.1396
447.5884 187.7158
448.0705 167.5635
448.5526 159.6123
449.0347 178.2402
449.5168 188.5664
449.9990 185.0381
450.4811 172.5254
450.9632 165.0557
451.4453 163.9434
451.9274 165.4395
452.4095 170.0400
452.8917 178.6855
453.3738 177.6348
453.8559 163.8818
454.3380 147.5693
454.8201 141.2900
455.3022 145.2666
455.7844 145.8994
456.2665 139.5420
456.7486 129.1934
457.2307 120.1367
457.7128 112.5518
458.1949 106.9180
458.6771 104.5781
459.1592 103.9795
459.6413 102.8105
460.1234 101.0449
460.6055 97.89258
461.0876 91.70605
461.5698 83.75879
462.0519 76.22070
462.5340 69.48047
463.0161 63.28809
463.4982 56.09961
463.9803 49.01074
464.4625 46.35645
464.9446 56.90918
465.4267 67.54492
465.9088 69.30469
466.3909 56.89844
466.8730 47.14648
467.3552 45.82812
467.8373 48.06836
468.3194 47.65625
468.8015 41.71289
469.2836 35.59668
469.7657 29.58398
470.2479 23.77832
470.7300 19.44727
471.2121 16.42383
471.6942 14.47070
472.1763 13.47461
472.6584 13.35840
473.1406 15.43848
473.6227 21.35059
474.1048 26.94531
474.5869 24.71289
475.0690 14.58789
475.5511 5.397461
476.0333 8.1055000E-02
476.5154 2.509766
476.9975 2.725586
477.4796 0.8183590
477.9617 2.7344000E-02
478.4438 3.095703
478.9260 8.821289
479.4081 16.22754
479.8902 26.29004
480.3723 33.30762
480.8544 29.42480
481.3365 19.65137
481.8187 12.55566
482.3008 14.93066
482.7829 18.12305
483.2650 16.55273
483.7471 11.00098
484.2292 7.273438
484.7114 10.25977
485.1935 13.34277
485.6756 11.98633
486.1577 1.488281
486.6398 5.058594
487.1219 5.261719
487.6041 1.487305
488.0862 3.741211
488.5683 13.97168
489.0504 19.82031
489.5325 18.44824
490.0146 10.80176
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1255.134 48.51172
1255.616 35.66992
1256.098 33.51660
1256.580 28.37695
1257.062 15.46387
1257.544 4.728516
1258.026 14.86914
1258.508 32.51855
1258.991 30.84473
1259.473 12.04004
1259.955 15.03320
1260.437 60.52832
1260.919 82.58105
1261.401 66.77637
1261.883 41.51367
1262.365 37.95020
1262.848 42.75098
1263.330 39.57812
1263.812 29.57129
1264.294 25.52930
1264.776 29.90137
1265.258 33.21973
1265.740 34.45312
1266.222 33.78809
1266.704 30.56152
1267.187 26.15234
1267.669 18.86035
1268.151 11.71875
1268.633 15.99414
1269.115 32.92676
1269.597 39.62695
1270.079 32.45312
1270.561 28.36719
1271.043 45.02734
1271.526 64.38086
1272.008 77.60645
1272.490 83.37988
1272.972 75.49707
1273.454 55.59863
1273.936 48.36426
1274.418 55.65918
1274.900 60.11426
1275.383 43.66699
1275.865 31.64648
1276.347 37.44434
1276.829 49.30371
1277.311 51.65527
1277.793 45.42969
1278.275 29.70117
1278.757 6.408203
1279.239 8.545898
1279.722 1.485352
1280.204 6.322266
1280.686 11.15820
1281.168 13.65039
1281.650 12.36328
1282.132 9.995117
1282.614 13.13379
1283.096 21.01074
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1284.061 35.75293
1284.543 38.05566
1285.025 23.88770
1285.507 15.44336
1285.989 31.51758
1286.471 49.38672
1286.953 41.13281
1287.435 14.50977
1287.917 4.8830002E-03
1288.400 4.814453
1288.882 7.581055
1289.364 4.558594
1289.846 2.157227
1290.328 0.0000000E+00
