#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:42:38 +0300 (Thu, 07 Jun 2018) $
#$Revision: 944 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100027.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_8100027
loop_
_publ_author_name
'Margulis, T. N.'
'Templeton, D. H.'
_publ_section_title
;
 Crystal structure and hydrogen bonding of magnesium ammonium sulfate
 hexahydrate
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              344
_journal_page_last               357
_journal_paper_doi               10.1524/zkri.1962.117.5-6.344
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source        R070597
_chemical_formula_sum            'H20 Mg N2 O14 S2'
_chemical_name_mineral           Boussingaultite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.14
_cell_angle_gamma                90
_cell_length_a                   9.324
_cell_length_b                   12.597
_cell_length_c                   6.211
_cell_volume                     697.110
_exptl_crystal_density_diffrn    1.718
_cod_original_formula_sum        'Mg S2 O14 N2 H20'
_cod_database_code               9008087
_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            R070597.rod
_rod_data_source.block           3500000
_rod_database.code               8100027
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 9008087 COD http://www.crystallography.net/cod/9008087.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
166.7258 0.0000000E+00
167.2079 13.32422
167.6900 73.28516
168.1721 209.7227
168.6542 312.2969
169.1363 399.9688
169.6185 497.6094
170.1006 607.8945
170.5827 721.5586
171.0648 839.6289
171.5469 957.5391
172.0290 1053.594
172.5112 1077.344
172.9933 1075.297
173.4754 1120.410
173.9575 1271.516
174.4396 1460.660
174.9217 1610.211
175.4039 1720.117
175.8860 1816.496
176.3681 1898.680
176.8502 1982.609
177.3323 2109.207
177.8144 2345.961
178.2966 2624.961
178.7787 2813.359
179.2608 2892.898
179.7429 2942.723
180.2250 3061.336
180.7071 3236.723
181.1893 3407.457
181.6714 3539.211
182.1535 3639.301
182.6356 3723.055
183.1177 3785.762
183.5998 3843.996
184.0820 3944.148
184.5641 4081.992
185.0462 4184.730
185.5283 4189.523
186.0104 4110.930
186.4925 4014.938
186.9747 3924.410
187.4568 3828.043
187.9389 3678.219
188.4210 3478.508
188.9031 3267.762
189.3852 3082.965
189.8673 2921.484
190.3495 2759.750
190.8316 2573.160
191.3137 2380.219
191.7958 2261.688
192.2779 2230.605
192.7600 2230.094
193.2422 2191.145
193.7243 2114.934
194.2064 2016.465
194.6885 1871.656
195.1706 1683.090
195.6527 1546.773
196.1349 1457.559
196.6170 1410.371
197.0991 1401.199
197.5812 1433.723
198.0633 1451.309
198.5454 1400.965
199.0276 1280.160
199.5097 1210.566
199.9918 1192.719
200.4739 1205.430
200.9560 1188.664
201.4381 1149.779
201.9203 1095.393
202.4024 1016.123
202.8845 912.2051
203.3666 803.7656
203.8487 684.3691
204.3308 561.7207
204.8130 453.8438
205.2951 367.2793
205.7772 285.6309
206.2593 180.4609
206.7414 41.12109
207.2235 59.31055
207.7057 106.1875
208.1878 97.47656
208.6699 35.15430
209.1520 101.6172
209.6341 251.2559
210.1162 334.8281
210.5983 319.0703
211.0805 326.5547
211.5626 399.0703
212.0447 563.9219
212.5268 682.5059
213.0089 721.8359
213.4910 733.0059
213.9732 773.4805
214.4553 865.7148
214.9374 963.4023
215.4195 1014.484
215.9016 986.2676
216.3837 1018.330
216.8659 1112.547
217.3480 1282.076
217.8301 1558.205
218.3122 2066.291
218.7943 2451.293
219.2764 2527.908
219.7586 2175.010
220.2407 1806.857
220.7228 1390.631
221.2049 975.8457
221.6870 745.8320
222.1691 805.9258
222.6513 890.3301
223.1334 824.1562
223.6155 504.1074
224.0976 274.1270
224.5797 216.3223
225.0618 289.3828
225.5440 296.9688
226.0261 201.0977
226.5082 86.60352
226.9903 21.44336
227.4724 29.90820
227.9545 34.49414
228.4367 20.70508
228.9188 12.22461
229.4009 31.74023
229.8830 28.61133
230.3651 21.46680
230.8472 29.36914
231.3293 66.99414
231.8115 92.91406
232.2936 95.49219
232.7757 72.11133
233.2578 51.62891
233.7399 40.02539
234.2220 26.37891
234.7042 5.636719
235.1863 80.40039
235.6684 133.9043
236.1505 139.5605
236.6326 78.01758
237.1147 61.89258
237.5969 118.5840
238.0790 205.1777
238.5611 247.9570
239.0432 201.8301
239.5253 181.3379
240.0074 234.3457
240.4896 402.4961
240.9717 518.2461
241.4538 567.6250
241.9359 568.3984
242.4180 555.1836
242.9001 517.4980
243.3823 479.5098
243.8644 447.8125
244.3465 411.3652
244.8286 408.9707
245.3107 469.1113
245.7928 558.3945
246.2750 577.8926
246.7571 495.3262
247.2392 390.7344
247.7213 301.5527
248.2034 236.0840
248.6855 172.3359
249.1677 109.9531
249.6498 48.84180
250.1319 10.58594
250.6140 74.25391
251.0961 128.5215
251.5782 166.5352
252.0603 186.4336
252.5425 193.4043
253.0246 184.0332
253.5067 161.0469
253.9888 142.3184
254.4709 131.0918
254.9530 119.5488
255.4352 99.64453
255.9173 60.13281
256.3994 40.97070
256.8815 56.38672
257.3636 101.7129
257.8458 121.2285
258.3279 103.2598
258.8100 76.83203
259.2921 68.48047
259.7742 92.82812
260.2563 97.48828
260.7385 63.31836
261.2206 6.117188
261.7027 33.33789
262.1848 1.175781
262.6669 48.64062
263.1490 63.62695
263.6311 36.50781
264.1133 3.957031
264.5954 26.10938
265.0775 53.80273
265.5596 97.88672
266.0417 177.2871
266.5238 248.8984
267.0060 251.4199
267.4881 153.0234
267.9702 90.88867
268.4523 111.5430
268.9344 215.0684
269.4165 281.4258
269.8987 303.4082
270.3808 299.9121
270.8629 285.6875
271.3450 253.1484
271.8271 240.2578
272.3092 265.1230
272.7914 327.6152
273.2735 378.1680
273.7556 419.1484
274.2377 443.9160
274.7198 429.9824
275.2019 365.1855
275.6841 333.0273
276.1662 375.7773
276.6483 492.8438
277.1304 572.9043
277.6125 608.7598
278.0946 623.7637
278.5768 650.1758
279.0589 688.3828
279.5410 722.4668
280.0231 737.3008
280.5052 735.4785
280.9873 780.1992
281.4695 884.2305
281.9516 1001.551
282.4337 1056.334
282.9158 1046.592
283.3979 1038.453
283.8800 1057.223
284.3622 1101.330
284.8443 1161.789
285.3264 1245.250
285.8085 1329.553
286.2906 1378.299
286.7727 1391.438
287.2549 1401.008
287.7370 1424.449
288.2191 1459.461
288.7012 1489.445
289.1833 1510.863
289.6654 1530.416
290.1476 1556.178
290.6297 1589.787
291.1118 1632.412
291.5939 1691.895
292.0760 1761.221
292.5581 1812.623
293.0403 1840.000
293.5224 1864.717
294.0045 1921.066
294.4866 2003.064
294.9687 2079.172
295.4508 2121.926
295.9330 2149.199
296.4151 2208.164
296.8972 2307.547
297.3793 2407.289
297.8614 2447.832
298.3435 2444.529
298.8257 2450.910
299.3078 2485.443
299.7899 2549.332
300.2720 2658.717
300.7541 2827.023
301.2362 2985.277
301.7184 3031.082
302.2005 3004.404
302.6826 3022.055
303.1647 3229.141
303.6468 3481.057
304.1289 3573.893
304.6110 3465.793
305.0931 3321.297
305.5753 3282.855
306.0574 3317.492
306.5395 3345.553
307.0216 3309.611
307.5037 3258.648
307.9858 3243.256
308.4680 3274.338
308.9501 3307.133
309.4322 3323.840
309.9143 3321.975
310.3964 3293.725
310.8785 3184.502
311.3607 3083.258
311.8428 3070.533
312.3249 3173.025
312.8070 3263.711
313.2891 3266.314
313.7712 3215.652
314.2534 3166.611
314.7355 3152.695
315.2176 3132.420
315.6997 3082.213
316.1818 2995.797
316.6639 2911.646
317.1461 2834.434
317.6282 2766.996
318.1103 2717.449
318.5924 2729.180
319.0745 2731.682
319.5566 2669.127
320.0388 2505.355
320.5209 2413.711
321.0030 2529.816
321.4851 2718.729
321.9672 2808.523
322.4493 2685.484
322.9315 2531.684
323.4136 2390.975
323.8957 2263.762
324.3778 2162.734
324.8599 2096.572
325.3420 2051.355
325.8242 2013.430
326.3063 1988.990
326.7884 1971.730
327.2705 1965.691
327.7526 1976.877
328.2347 1957.902
328.7169 1879.676
329.1990 1785.824
329.6811 1722.797
330.1632 1718.721
330.6453 1708.043
331.1274 1669.320
331.6096 1596.812
332.0917 1562.955
332.5738 1591.576
333.0559 1634.561
333.5380 1644.387
334.0201 1609.109
334.5023 1567.902
334.9844 1528.266
335.4665 1489.963
335.9486 1440.184
336.4307 1371.922
336.9128 1305.406
337.3950 1261.096
337.8771 1245.566
338.3592 1238.723
338.8413 1240.791
339.3234 1248.826
339.8055 1235.686
340.2877 1197.422
340.7698 1152.176
341.2519 1105.338
341.7340 1055.719
342.2161 1048.301
342.6982 1102.207
343.1804 1196.021
343.6624 1272.133
344.1446 1327.295
344.6267 1374.092
345.1088 1428.668
345.5909 1487.805
346.0730 1537.711
346.5551 1577.943
347.0373 1603.615
347.5194 1592.490
348.0015 1547.908
348.4836 1521.031
348.9657 1575.934
349.4478 1677.025
349.9300 1729.111
350.4121 1699.611
350.8942 1645.543
351.3763 1635.699
351.8584 1664.158
352.3405 1703.572
352.8227 1747.191
353.3048 1788.814
353.7869 1821.939
354.2690 1846.809
354.7511 1858.051
355.2332 1831.957
355.7154 1786.516
356.1975 1766.475
356.6796 1818.852
357.1617 1892.047
357.6438 1941.506
358.1259 1955.256
358.6081 1970.270
359.0902 2034.754
359.5723 2110.701
360.0544 2134.357
360.5365 2024.025
361.0186 1900.896
361.5008 1828.012
361.9829 1819.414
362.4650 1817.998
362.9471 1815.645
363.4292 1808.691
363.9113 1792.625
364.3935 1756.557
364.8756 1721.236
365.3577 1691.674
365.8398 1668.248
366.3219 1652.051
366.8040 1647.094
367.2862 1647.475
367.7683 1648.064
368.2504 1689.668
368.7325 1682.359
369.2146 1591.387
369.6967 1414.777
370.1789 1279.359
370.6610 1200.545
371.1431 1149.188
371.6252 1109.027
372.1073 1100.432
372.5894 1056.098
373.0716 949.4570
373.5537 795.9570
374.0358 699.8027
374.5179 682.0039
375.0000 678.3242
375.4821 644.3730
375.9643 574.7324
376.4464 512.4766
376.9285 462.7695
377.4106 423.4316
377.8927 386.5898
378.3748 351.1758
378.8570 327.5039
379.3391 329.8066
379.8212 354.1230
380.3033 363.1738
380.7854 352.5176
381.2675 327.4922
381.7497 286.5273
382.2318 231.8496
382.7139 191.3340
383.1960 193.5469
383.6781 217.8828
384.1602 210.5430
384.6423 162.6836
385.1245 117.0645
385.6066 134.8730
386.0887 192.3105
386.5708 227.1309
387.0529 188.8535
387.5350 127.7285
388.0172 97.75195
388.4993 101.2012
388.9814 110.6484
389.4635 105.9551
389.9456 96.77734
390.4277 95.76172
390.9099 113.3379
391.3920 134.8770
391.8741 158.5664
392.3562 182.5684
392.8383 190.6582
393.3204 182.1426
393.8026 151.6621
394.2847 95.15820
394.7668 51.50391
395.2489 155.2891
395.7310 164.6445
396.2131 100.5723
396.6953 53.58398
397.1774 44.06055
397.6595 47.55664
398.1416 52.05664
398.6237 44.12891
399.1058 57.70508
399.5880 120.4082
400.0701 199.7734
400.5522 224.3008
401.0343 178.3535
401.5164 100.0137
401.9985 8.988281
402.4807 164.8320
402.9628 272.0547
403.4449 326.7852
403.9270 335.8516
404.4091 298.7969
404.8912 203.4609
405.3734 112.8965
405.8555 44.01953
406.3376 3.712891
406.8197 34.07422
407.3018 46.90234
407.7839 42.24609
408.2661 7.820313
408.7482 52.77344
409.2303 94.77734
409.7124 102.6172
410.1945 88.47852
410.6766 72.04883
411.1588 54.24219
411.6409 44.39258
412.1230 39.75781
412.6051 49.46875
413.0872 99.23242
413.5693 214.4707
414.0515 331.8164
414.5336 380.2441
415.0157 376.3730
415.4978 375.3242
415.9799 411.4707
416.4620 460.9453
416.9442 496.0352
417.4263 501.7109
417.9084 534.5469
418.3905 661.3438
418.8726 827.4707
419.3547 946.2266
419.8369 930.4355
420.3190 913.9238
420.8011 960.5469
421.2832 1082.729
421.7653 1189.496
422.2474 1244.248
422.7296 1285.658
423.2117 1349.107
423.6938 1434.291
424.1759 1546.439
424.6580 1701.996
425.1401 1894.898
425.6223 2062.496
426.1043 2183.234
426.5865 2306.152
427.0686 2459.650
427.5507 2642.812
428.0328 2858.197
428.5149 3109.717
428.9970 3389.127
429.4792 3680.068
429.9613 3990.932
430.4434 4291.818
430.9255 4558.883
431.4076 4793.088
431.8897 5068.143
432.3719 5390.219
432.8540 5732.691
433.3361 6058.275
433.8182 6369.416
434.3003 6671.906
434.7824 6946.691
435.2646 7225.365
435.7467 7580.725
436.2288 8010.611
436.7109 8467.654
437.1930 8904.949
437.6751 9345.822
438.1573 9823.379
438.6394 10362.16
439.1215 10928.89
439.6036 11495.18
440.0857 12066.32
440.5678 12662.18
441.0500 13292.16
441.5321 13953.57
442.0142 14636.47
442.4963 15325.69
442.9784 16060.02
443.4605 16869.41
443.9427 17727.10
444.4248 18587.38
444.9069 19443.85
445.3890 20296.92
445.8711 21147.59
446.3532 21980.35
446.8354 22853.30
447.3175 23831.29
447.7996 24807.24
448.2817 25695.98
448.7638 26500.55
449.2459 27214.37
449.7281 27861.82
450.2102 28427.39
450.6923 28815.82
451.1744 29001.07
451.6565 29088.57
452.1386 29151.66
452.6208 29193.55
453.1029 29149.26
453.5850 29015.45
454.0671 28805.93
454.5492 28498.57
455.0313 28098.43
455.5135 27737.99
455.9956 27570.58
456.4777 27477.56
456.9598 27149.15
457.4419 26556.82
457.9240 25910.42
458.4062 25445.83
458.8883 25064.29
459.3704 24591.55
459.8525 23946.51
460.3346 23192.49
460.8167 22347.70
461.2989 21415.90
461.7810 20480.96
462.2631 19542.02
462.7452 18616.51
463.2273 17722.08
463.7094 16880.17
464.1916 16018.36
464.6737 15079.31
465.1558 14111.55
465.6379 13213.16
466.1200 12422.66
466.6021 11681.99
467.0842 10979.10
467.5663 10314.14
468.0485 9646.549
468.5306 8931.883
469.0127 8253.711
469.4948 7707.463
469.9769 7325.301
470.4590 6981.045
470.9412 6659.906
471.4233 6356.922
471.9054 6049.809
472.3875 5738.975
472.8696 5424.359
473.3517 5106.688
473.8339 4788.250
474.3160 4461.725
474.7981 4127.051
475.2802 3785.311
475.7623 3415.715
476.2444 3033.475
476.7266 2698.174
477.2087 2453.100
477.6908 2265.623
478.1729 2092.697
478.6550 1932.426
479.1371 1798.635
479.6193 1740.561
480.1014 1699.184
480.5835 1605.293
481.0656 1347.008
481.5477 1123.719
482.0298 1035.023
482.5120 1050.602
482.9941 1045.580
483.4762 987.4453
483.9583 902.4492
484.4404 796.5957
484.9225 635.7812
485.4047 526.2695
485.8868 492.2109
486.3689 498.3379
486.8510 497.0508
487.3331 494.4160
487.8152 473.6289
488.2974 427.3633
488.7795 357.3828
489.2616 282.0684
489.7437 192.4961
490.2258 127.7754
490.7079 150.1016
491.1901 252.6055
491.6722 279.3359
492.1543 181.6387
492.6364 43.49609
493.1185 8.302734
493.6006 64.25977
494.0828 138.3555
494.5649 213.8926
495.0470 273.2969
495.5291 283.4707
496.0112 238.3457
496.4933 188.6074
496.9755 165.5176
497.4576 161.3574
497.9397 165.6328
498.4218 198.3770
498.9039 216.9336
499.3860 193.5039
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1266.433 26.12891
1266.915 73.04688
1267.397 78.07422
1267.880 47.81641
1268.362 0.0000000E+00
