#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:03:24 +0300 (Thu, 26 Apr 2018) $
#$Revision: 637 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000171.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_1000171
loop_
_publ_author_name
'Aurivillius, K.'
_publ_section_title
;
 Least-squares refinement of the crystal structures of orthorhombic HgO
 and of Hg2O2NaI Locality: synthetic
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1305
_journal_page_last               1306
_journal_paper_doi               10.3891/acta.chem.scand.18-1305
_journal_volume                  18
_journal_year                    1964
_chemical_compound_source        R140877
_chemical_formula_sum            'Hg O'
_chemical_name_mineral           Montroydite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.6129
_cell_length_b                   5.5208
_cell_length_c                   3.5219
_cell_volume                     128.579
_exptl_crystal_density_diffrn    11.189
_cod_database_code               9012530
_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            R140877.rod
_rod_data_source.block           3500000
_rod_database.code               1000171
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 9012530 COD http://www.crystallography.net/cod/9012530.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
91.55994 0.0000000E+00
92.04205 5.9367001E-02
92.52417 1.4304000E-02
93.00629 7.0168003E-02
93.48840 0.2463830
93.97052 0.3940480
94.45264 0.4156960
94.93475 0.5010510
95.41687 0.4926730
95.89898 0.3022430
96.38110 8.8504001E-02
96.86321 1.5286000E-02
97.34533 0.1450760
97.82745 0.3746900
98.30956 0.4645550
98.79168 0.3174470
99.27380 0.1959770
99.75591 0.1362790
100.2380 0.1410810
100.7201 0.2315560
101.2023 0.4347280
101.6844 0.7370380
102.1665 1.037686
102.6486 1.333504
103.1307 1.630295
103.6128 1.943889
104.0950 2.284914
104.5771 2.593055
105.0592 2.751524
105.5413 2.852686
106.0234 3.047577
106.5055 3.488429
106.9877 4.089185
107.4698 4.479381
107.9519 4.461564
108.4340 4.463887
108.9161 4.690485
109.3982 5.085843
109.8804 5.497788
110.3625 5.773134
110.8446 5.862416
111.3267 6.071074
111.8088 6.470518
112.2909 6.919493
112.7731 7.366485
113.2552 7.797529
113.7373 8.223619
114.2194 8.656816
114.7015 9.113314
115.1836 9.551372
115.6658 9.940916
116.1479 10.32685
116.6300 10.75258
117.1121 11.23470
117.5942 11.76080
118.0763 12.30971
118.5584 12.90629
119.0406 13.47211
119.5227 13.95941
120.0048 14.39348
120.4869 14.84903
120.9690 15.36770
121.4511 15.92509
121.9333 16.45825
122.4154 16.93977
122.8975 17.44271
123.3796 18.05812
123.8617 18.80643
124.3438 19.50015
124.8260 20.00850
125.3081 20.42802
125.7902 20.83860
126.2723 21.27341
126.7544 21.69991
127.2365 22.05665
127.7187 22.38091
128.2008 22.55331
128.6829 22.55124
129.1650 22.40476
129.6471 22.15016
130.1292 21.80631
130.6114 21.37507
131.0935 20.88246
131.5756 20.42102
132.0577 19.79751
132.5398 18.85969
133.0219 17.70794
133.5041 16.57295
133.9862 15.67193
134.4683 15.08255
134.9504 14.32870
135.4325 13.22294
135.9146 12.06734
136.3968 11.02479
136.8789 10.10513
137.3610 9.213798
137.8431 8.280820
138.3252 7.279600
138.8073 6.426284
139.2895 5.787803
139.7716 5.269860
140.2537 4.745763
140.7358 4.180011
141.2179 3.646906
141.7000 3.255334
142.1821 2.997416
142.6643 2.763764
143.1464 2.481796
143.6285 2.184412
144.1106 1.918143
144.5927 1.652830
145.0748 1.438513
145.5570 1.329125
146.0391 1.322148
146.5212 1.312427
147.0033 1.221757
147.4854 1.046994
147.9675 0.8826050
148.4497 0.7402900
148.9318 0.6118940
149.4139 0.4769840
149.8960 0.3341810
150.3781 0.2028340
150.8602 0.1190670
151.3424 0.1106090
151.8245 0.1133710
152.3066 0.1281230
152.7887 0.1502730
153.2708 0.1696190
153.7529 0.1731330
154.2351 0.1710090
154.7172 0.1758890
155.1993 0.1922950
155.6814 0.2163830
156.1635 0.2659990
156.6456 0.3160760
157.1278 0.3270170
157.6099 0.2749230
158.0920 0.1846280
158.5741 0.1499330
159.0562 0.1928880
159.5383 0.2565010
160.0205 0.3196030
160.5026 0.3880620
160.9847 0.4836760
161.4668 0.6285210
161.9489 0.8078070
162.4310 0.9514940
162.9131 0.9754050
163.3953 1.041465
163.8774 1.266707
164.3595 1.635516
164.8416 2.015645
165.3237 2.358186
165.8058 2.643875
166.2880 2.845213
166.7701 3.012731
167.2522 3.059080
167.7343 2.826720
168.2164 2.256638
168.6985 1.693630
169.1807 1.347792
169.6628 1.127202
170.1449 0.9314320
170.6270 0.7058950
171.1091 0.4882250
171.5912 0.3872390
172.0734 0.4811380
172.5555 0.5582210
173.0376 0.5134000
173.5197 0.3979300
174.0018 0.2796690
174.4839 0.2320610
174.9661 0.2439240
175.4482 0.2511570
175.9303 0.2980480
176.4124 0.3115750
176.8945 0.2020870
177.3766 3.3567999E-02
177.8588 7.5455002E-02
178.3409 1.9974001E-02
178.8230 0.2094860
179.3051 0.3565740
179.7872 0.3598330
180.2693 0.3354370
180.7515 0.2827760
181.2336 0.2234300
181.7157 0.2020370
182.1978 0.2683260
182.6799 0.4448050
183.1620 0.5365420
183.6441 0.4964870
184.1263 0.4304710
184.6084 0.3682240
185.0905 0.3212050
185.5726 0.3109270
186.0547 0.3656340
186.5368 0.4969080
187.0190 0.5798290
187.5011 0.5879760
187.9832 0.5769910
188.4653 0.5843500
188.9474 0.6106140
189.4296 0.6318050
189.9117 0.6173580
190.3938 0.5725960
190.8759 0.5697900
191.3580 0.6802580
191.8401 0.8078040
192.3223 0.8177980
192.8044 0.6734880
193.2865 0.5262110
193.7686 0.5800320
194.2507 0.7672480
194.7328 0.8710040
195.2150 0.7372800
195.6971 0.4898060
196.1792 0.3846230
196.6613 0.4864630
197.1434 0.6360480
197.6255 0.7422790
198.1077 0.8059330
198.5898 0.8165890
199.0719 0.7209400
199.5540 0.5555720
200.0361 0.4884850
200.5182 0.5942220
201.0004 0.7027670
201.4825 0.7266650
201.9646 0.6818840
202.4467 0.6084900
202.9288 0.5126170
203.4109 0.3986720
203.8930 0.3512850
204.3752 0.4501360
204.8573 0.5363780
205.3394 0.5384100
205.8215 0.4773330
206.3036 0.4055970
206.7857 0.3428190
207.2679 0.2818450
207.7500 0.3704720
208.2321 0.9542600
208.7142 1.376941
209.1963 1.306281
209.6784 0.8658480
210.1606 0.4197370
210.6427 0.3078520
211.1248 0.5843280
211.6069 0.7161930
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213.0533 0.3174880
213.5354 0.2123590
214.0175 0.1661470
214.4996 0.2172880
214.9817 0.3957840
215.4638 0.4496380
215.9460 0.2622710
216.4281 8.2355000E-02
216.9102 5.5566002E-02
217.3923 0.1656570
217.8744 0.2899430
218.3565 0.3173960
218.8387 0.2344680
219.3208 0.1491050
219.8029 3.4649000E-02
220.2850 6.2047999E-02
220.7671 0.1131380
221.2492 0.1178400
221.7314 8.8357002E-02
222.2135 2.6896000E-02
222.6956 6.8751000E-02
223.1777 0.1404500
223.6598 0.2095210
224.1419 0.2405380
224.6240 0.1811980
225.1062 3.4745000E-02
225.5883 0.1064620
226.0704 0.1594030
226.5525 0.1342790
227.0346 0.1350410
227.5167 0.2065900
227.9989 0.2827970
228.4810 0.2918250
228.9631 0.2287610
229.4452 0.1685640
229.9273 0.2178190
230.4094 0.3082050
230.8916 0.2485340
231.3737 0.2203740
231.8558 0.7260400
232.3379 0.7879080
232.8200 0.3486960
233.3021 0.1253370
233.7843 0.3687000
234.2664 0.4489450
234.7485 0.4415930
235.2306 0.3048600
235.7127 0.1464610
236.1948 0.1209030
236.6770 0.2567780
237.1591 0.3771210
237.6412 0.3820770
238.1233 0.3252500
238.6054 0.2490800
239.0875 0.1452860
239.5697 5.7844002E-02
240.0518 7.5387999E-02
240.5339 0.2362570
241.0160 0.3721940
241.4981 0.4076700
241.9802 0.3953800
242.4624 0.3795730
242.9445 0.3753590
243.4266 0.3716440
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245.3550 0.2849660
245.8372 0.3861270
246.3193 0.4129110
246.8014 0.3299380
247.2835 0.1929440
247.7656 9.6828997E-02
248.2477 6.1041001E-02
248.7299 2.2683000E-02
249.2120 9.7329998E-03
249.6941 6.2346999E-02
250.1762 0.1793930
250.6583 0.3687570
251.1404 0.5550070
251.6226 0.6013610
252.1047 0.4104130
252.5868 0.3048180
253.0689 0.3185190
253.5510 0.4006410
254.0331 0.5636220
254.5153 0.8000210
254.9974 1.023416
255.4795 1.083454
255.9616 0.8633490
256.4437 0.7259950
256.9258 0.7157890
257.4080 0.7426360
257.8901 0.7645290
258.3722 0.7709260
258.8543 0.7563420
259.3364 0.6995730
259.8185 0.5355960
260.3007 0.5000730
260.7828 0.6992850
261.2649 0.9147490
261.7470 1.010005
262.2291 0.9793530
262.7112 0.8999010
263.1934 0.8541330
263.6755 0.8385960
264.1576 0.8701310
264.6397 1.052989
265.1218 1.187245
265.6039 1.107001
266.0861 0.8521800
266.5682 0.6162240
267.0503 0.6075890
267.5324 0.8775050
268.0145 1.039297
268.4966 1.058641
268.9788 1.038950
269.4609 1.003885
269.9430 0.9598690
270.4251 0.9128030
270.9072 0.8696050
271.3893 0.8312850
271.8715 0.7603650
272.3536 0.5901510
272.8357 0.4708090
273.3178 0.4877900
273.7999 0.6003220
274.2820 0.7153550
274.7642 0.7881160
275.2463 0.8222240
275.7284 0.7616910
276.2105 0.5049210
276.6926 0.2760110
277.1747 0.1349360
277.6568 7.5510003E-02
278.1389 9.3046002E-02
278.6211 0.1981210
279.1032 0.3685900
279.5853 0.5001440
280.0674 0.6188320
280.5495 0.6867190
281.0316 0.6554360
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282.4780 0.4810810
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283.4422 0.4746100
283.9243 0.4101430
284.4065 0.3939850
284.8886 0.4374950
285.3707 0.5362180
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286.3349 0.9910070
286.8170 1.295501
287.2992 1.473512
287.7813 1.448329
288.2634 1.530286
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289.7097 2.713726
290.1919 3.103500
290.6740 3.466085
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295.0130 7.608556
295.4951 8.213165
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298.3878 15.00402
298.8700 15.94317
299.3521 16.84334
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300.3163 19.93387
300.7984 21.96947
301.2805 24.12651
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303.2090 33.28982
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304.1732 39.85265
304.6554 43.67904
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305.6196 50.81060
306.1017 54.74660
306.5838 59.23240
307.0659 64.22770
307.5481 69.67945
308.0302 75.59420
308.5123 81.73782
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309.4765 94.55439
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311.8871 129.4154
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314.2977 169.4629
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317.1904 228.1475
317.6725 239.9172
318.1546 252.6982
318.6367 266.0049
319.1188 279.4432
319.6010 293.2164
320.0831 308.1262
320.5652 324.6691
321.0473 341.8750
321.5294 359.4077
322.0115 377.1773
322.4937 395.2145
322.9758 413.4686
323.4579 431.9259
323.9400 450.1977
324.4221 468.6393
324.9042 486.3639
325.3864 504.1239
325.8685 520.8508
326.3506 534.9715
326.8327 546.1870
327.3148 553.9526
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328.2791 554.6010
328.7612 550.0256
329.2433 544.2580
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330.2075 523.3879
330.6896 506.0829
331.1718 485.9561
331.6539 464.3255
332.1360 441.0614
332.6181 417.4425
333.1002 393.0102
333.5823 368.7672
334.0645 344.9592
334.5466 321.8763
335.0287 300.0161
335.5108 279.8994
335.9929 261.4517
336.4750 244.0985
336.9572 227.4281
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338.4035 185.0526
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339.8499 153.0658
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340.8141 135.0381
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341.7783 118.5707
342.2604 110.9675
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343.2247 99.02122
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344.1889 89.75967
344.6710 85.19781
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346.1174 73.07984
346.5995 69.62600
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347.5637 63.53533
348.0458 60.71759
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349.0101 55.55349
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349.9743 51.26445
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351.9028 43.07055
352.3849 41.26084
352.8670 39.75384
353.3491 38.91991
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354.3134 36.50938
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358.1703 27.31885
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370.2232 12.75298
370.7053 12.06327
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372.1516 10.50250
372.6338 10.21756
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373.5980 9.423117
374.0801 8.959857
374.5622 8.390676
375.0443 7.891531
375.5265 7.576931
376.0086 7.357229
376.4907 7.075345
376.9728 6.628212
377.4549 6.126931
377.9370 5.852180
378.4192 5.928938
378.9013 5.879539
379.3834 5.452978
379.8655 4.923916
380.3476 4.480896
380.8297 4.163015
381.3119 3.935451
381.7940 3.808574
382.2761 3.779029
382.7582 3.655967
383.2403 3.348826
383.7224 3.022427
384.2046 2.793185
384.6867 2.642693
385.1688 2.490201
385.6509 2.265875
386.1330 2.016848
386.6151 1.859144
387.0973 1.815697
387.5794 1.784717
388.0615 1.702929
388.5436 1.593140
389.0257 1.486123
389.5078 1.385400
389.9900 1.299478
390.4721 1.259509
390.9542 1.254012
391.4363 1.190345
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392.4005 0.8043610
392.8827 0.6108330
393.3648 0.4329080
393.8469 0.3315390
394.3290 0.3803810
394.8111 0.5012940
395.2932 0.5731220
395.7754 0.5782850
396.2575 0.5583970
396.7396 0.5480640
397.2217 0.5439110
397.7038 0.5176900
398.1859 0.4829680
398.6681 0.4137440
399.1501 0.2427240
399.6323 1.0890000E-02
400.1144 0.1276520
400.5965 7.8613997E-02
401.0786 8.5285999E-02
401.5607 0.1539370
402.0428 9.8190002E-02
402.5250 1.6881000E-02
403.0071 0.1126170
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403.9713 0.2969440
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