#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:00:47 +0300 (Thu, 24 May 2018) $
#$Revision: 866 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000350.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_1000350
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 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            R140877.rod
_rod_data_source.block           3500000
_rod_database.code               1000350
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
89.78320 0.0000000E+00
90.26532 0.2439880
90.74744 1.7499999E-04
91.22955 0.3106990
91.71167 0.8876110
92.19379 1.427834
92.67590 1.913269
93.15802 2.222649
93.64014 2.020264
94.12225 1.700996
94.60437 1.158142
95.08649 0.6680220
95.56860 0.2339170
96.05072 2.1477001E-02
96.53284 1.1925000E-02
97.01495 8.4282003E-02
97.49707 1.6945001E-02
97.97919 0.2116170
98.46130 0.2720570
98.94342 2.6588000E-02
99.42554 0.6422880
99.90765 0.9261550
100.3898 0.7734830
100.8719 0.5274580
101.3540 0.7168430
101.8361 1.437698
102.3182 2.199974
102.8004 2.842072
103.2825 3.341942
103.7646 3.801903
104.2467 4.129791
104.7288 4.460541
105.2109 5.139679
105.6931 6.385345
106.1752 7.666672
106.6573 8.769615
107.1394 9.584579
107.6215 10.42281
108.1036 11.36720
108.5858 12.37518
109.0679 13.18181
109.5500 13.56651
110.0321 13.92706
110.5142 14.46976
110.9963 15.50971
111.4785 16.38902
111.9606 16.90757
112.4427 17.08778
112.9248 17.50311
113.4069 18.42027
113.8890 19.50143
114.3712 20.48905
114.8533 21.36295
115.3354 22.10100
115.8175 22.55777
116.2996 22.69414
116.7817 23.13632
117.2639 24.53036
117.7460 26.25639
118.2281 27.52864
118.7102 27.58830
119.1923 27.44292
119.6744 27.74327
120.1566 28.65392
120.6387 29.56142
121.1208 30.05231
121.6029 30.25562
122.0850 30.42407
122.5671 30.78692
123.0493 31.12933
123.5314 31.19257
124.0135 30.85057
124.4956 30.42059
124.9777 30.29359
125.4598 30.36967
125.9420 30.27791
126.4241 29.79774
126.9062 28.98048
127.3883 27.88240
127.8704 26.40606
128.3525 24.79498
128.8347 23.39107
129.3168 22.18380
129.7989 21.09919
130.2810 20.02618
130.7631 19.00662
131.2452 18.21337
131.7274 17.80130
132.2095 17.58495
132.6916 17.01994
133.1737 16.05453
133.6558 15.04354
134.1379 14.38039
134.6201 14.06430
135.1022 13.66612
135.5843 13.03892
136.0664 12.20207
136.5485 11.30682
137.0306 10.29218
137.5128 9.368622
137.9949 8.825989
138.4770 8.743378
138.9591 8.672760
139.4412 8.431038
139.9233 7.990936
140.4055 7.736298
140.8876 7.781723
141.3697 7.902603
141.8518 7.693375
142.3339 7.008331
142.8160 6.326202
143.2982 5.829384
143.7803 5.573677
144.2624 5.396065
144.7445 5.301224
145.2266 5.263451
145.7087 5.198029
146.1909 5.006271
146.6730 4.944427
147.1551 5.103943
147.6372 5.618401
148.1193 5.968948
148.6014 6.138771
149.0836 6.158890
149.5657 6.112465
150.0478 5.904518
150.5299 5.708954
151.0120 5.587227
151.4941 5.660172
151.9763 5.669769
152.4584 5.538513
152.9405 5.314484
153.4226 5.242699
153.9047 5.468498
154.3868 5.765121
154.8690 6.003426
155.3511 6.279236
155.8332 6.375732
156.3153 6.104568
156.7974 5.524620
157.2795 5.203079
157.7617 5.637108
158.2438 6.221237
158.7259 6.514908
159.2080 5.997963
159.6901 5.608925
160.1722 5.699997
160.6544 6.251472
161.1365 6.696167
161.6186 6.735901
162.1007 6.620102
162.5828 6.589539
163.0649 6.700676
163.5471 6.930023
164.0292 7.320641
164.5113 7.866669
164.9934 8.351120
165.4755 8.628365
165.9576 8.805260
166.4398 9.023628
166.9219 9.679123
167.4040 10.11421
167.8861 9.661835
168.3682 8.267242
168.8503 6.967918
169.3325 6.498428
169.8146 6.547272
170.2967 6.613937
170.7788 6.558136
171.2609 6.406227
171.7430 6.142387
172.2252 5.735992
172.7073 5.380844
173.1894 5.299194
173.6715 5.388672
174.1536 5.414322
174.6357 5.182404
175.1179 4.877289
175.6000 4.722183
176.0821 4.733658
176.5642 4.855194
177.0463 5.105392
177.5284 5.428604
178.0106 5.653107
178.4927 5.698074
178.9748 5.643997
179.4569 5.595856
179.9390 5.484756
180.4211 5.383606
180.9033 5.458710
181.3854 5.702499
181.8675 5.959747
182.3496 6.158752
182.8317 6.285553
183.3138 6.317596
183.7960 6.224197
184.2781 6.094284
184.7602 6.082962
185.2423 6.184845
185.7244 6.271667
186.2065 6.216888
186.6887 6.041031
187.1708 5.869156
187.6529 5.731644
188.1350 5.655777
188.6171 5.696426
189.0992 5.848114
189.5814 5.989502
190.0635 6.066696
190.5456 6.079102
191.0277 5.976273
191.5098 5.726608
191.9919 5.419846
192.4741 5.251648
192.9562 5.227386
193.4383 5.208832
193.9204 5.053207
194.4025 4.775742
194.8846 4.665237
195.3668 4.823746
195.8489 5.091721
196.3310 5.045349
196.8131 4.647110
197.2952 4.217422
197.7773 3.942093
198.2595 3.821701
198.7416 3.876709
199.2237 4.177765
199.7058 4.596939
200.1879 4.746567
200.6700 4.590378
201.1522 4.357010
201.6343 4.253571
202.1164 4.315521
202.5985 4.102005
203.0806 3.420914
203.5627 2.503510
204.0449 2.147827
204.5270 2.469452
205.0091 2.967926
205.4912 3.373123
205.9733 3.715347
206.4554 3.728943
206.9376 3.225296
207.4197 2.414993
207.9018 2.163254
208.3839 2.645004
208.8660 3.245438
209.3481 3.538010
209.8303 3.476089
210.3124 3.330002
210.7945 3.078400
211.2766 2.774170
211.7587 2.669373
212.2408 2.855042
212.7230 3.052536
213.2051 2.896286
213.6872 1.994156
214.1693 2.260315
214.6514 4.587479
215.1335 8.229797
215.6157 9.342041
216.0978 6.865112
216.5799 3.825180
217.0620 2.238861
217.5441 2.646210
218.0262 2.942535
218.5084 2.937683
218.9905 2.671677
219.4726 2.313004
219.9547 1.808990
220.4368 1.307709
220.9189 0.8911740
221.4011 0.5432280
221.8832 0.3534390
222.3653 0.4439390
222.8474 0.7047580
223.3295 0.5997620
223.8116 0.1393890
224.2938 0.8314060
224.7759 0.9978330
225.2580 0.2897640
225.7401 6.7855999E-02
226.2222 0.1625370
226.7043 0.8107600
227.1865 1.119492
227.6686 0.9009400
228.1507 0.6310730
228.6328 0.6099240
229.1149 1.002426
229.5970 1.256088
230.0792 1.307205
230.5613 1.196274
231.0434 1.080185
231.5255 0.9132690
232.0076 0.8102870
232.4897 0.8584440
232.9719 1.158615
233.4540 1.380478
233.9361 1.515427
234.4182 1.557571
234.9003 1.441895
235.3824 0.9376070
235.8646 0.6040040
236.3467 0.8161010
236.8288 2.122787
237.3109 2.721649
237.7930 2.253082
238.2751 1.099487
238.7573 0.4626620
239.2394 0.6036990
239.7215 0.8895260
240.2036 1.044037
240.6857 1.026810
241.1678 0.9691770
241.6500 0.8210450
242.1321 0.6524350
242.6142 0.6581570
243.0963 1.030304
243.5784 1.294266
244.0605 1.202972
244.5427 0.4926760
245.0248 0.1110380
245.5069 0.2011570
245.9890 0.5568390
246.4711 0.7416380
246.9532 0.7117610
247.4354 0.5695500
247.9175 0.3490600
248.3996 2.4124000E-02
248.8817 0.3394470
249.3638 0.8651280
249.8459 1.362503
250.3281 1.425583
250.8102 0.7498780
251.2923 0.1803740
251.7744 2.1423001E-02
252.2565 0.3529050
252.7386 0.7549440
253.2208 1.300186
253.7029 1.868149
254.1850 2.285110
254.6671 2.520248
255.1492 2.646362
255.6313 2.630035
256.1135 2.417404
256.5956 2.433884
257.0777 2.798462
257.5598 3.269913
258.0419 3.468826
258.5240 3.174057
259.0062 3.083862
259.4883 3.509583
259.9704 4.495255
260.4525 5.045807
260.9346 4.991547
261.4167 4.672043
261.8989 4.476013
262.3810 4.431244
262.8631 4.519211
263.3452 4.795914
263.8273 5.270279
264.3094 5.458511
264.7916 5.257736
265.2737 4.936523
265.7558 4.763809
266.2379 4.763062
266.7200 4.938202
267.2021 5.405273
267.6843 6.089142
268.1664 6.276489
268.6485 5.774658
269.1306 5.161896
269.6127 4.989243
270.0948 5.399994
270.5770 5.594528
271.0591 5.336533
271.5412 4.733368
272.0233 4.487762
272.5054 4.735565
272.9875 4.994995
273.4697 4.857910
273.9518 4.236618
274.4339 3.833374
274.9160 3.805756
275.3981 4.013870
275.8802 3.891052
276.3624 3.328247
276.8445 2.821701
277.3266 2.800079
277.8087 3.314438
278.2908 3.434875
278.7729 2.967255
279.2551 2.208908
279.7372 1.875381
280.2193 2.045837
280.7014 2.258057
281.1835 2.225204
281.6656 1.915390
282.1478 1.624283
282.6299 1.396225
283.1120 1.279526
283.5941 1.225235
284.0762 1.196045
284.5583 1.231003
285.0405 1.346848
285.5226 1.590988
286.0047 2.095612
286.4868 2.843658
286.9689 3.817139
287.4510 5.194244
287.9332 6.958694
288.4153 8.544174
288.8974 9.516876
289.3795 10.09967
289.8616 11.06752
290.3438 12.43231
290.8259 14.00589
291.3080 15.63716
291.7901 17.31793
292.2722 19.11314
292.7543 21.04160
293.2365 23.10907
293.7186 25.15041
294.2007 27.10303
294.6828 29.26071
295.1649 32.03770
295.6470 35.38159
296.1292 39.07417
296.6113 42.99283
297.0934 47.10249
297.5755 51.46988
298.0576 56.12325
298.5397 60.99884
299.0219 66.03644
299.5040 71.34106
299.9861 76.96399
300.4682 82.74173
300.9503 89.13516
301.4324 96.91553
301.9146 105.9100
302.3967 115.6924
302.8788 125.4940
303.3609 135.9560
303.8430 147.8895
304.3251 161.4987
304.8073 176.2340
305.2894 191.6470
305.7715 207.8149
306.2536 225.3895
306.7357 243.9435
307.2178 264.3092
307.7000 287.1448
308.1821 312.5429
308.6642 339.9947
309.1463 369.3329
309.6284 400.2984
310.1105 432.9688
310.5927 466.9784
311.0748 502.4735
311.5569 540.2451
312.0390 580.2948
312.5211 621.1536
313.0032 661.5131
313.4854 702.9296
313.9675 746.5243
314.4496 793.5349
314.9317 841.9058
315.4138 891.2655
315.8959 941.4655
316.3781 993.0103
316.8602 1045.044
317.3423 1098.591
317.8244 1154.202
318.3065 1211.410
318.7886 1271.451
319.2708 1334.130
319.7529 1399.574
320.2350 1468.416
320.7171 1541.152
321.1992 1616.278
321.6813 1692.986
322.1635 1771.272
322.6456 1850.834
323.1277 1933.694
323.6098 2017.439
324.0919 2098.386
324.5740 2177.408
325.0562 2251.148
325.5383 2319.807
326.0204 2385.182
326.5025 2438.009
326.9846 2478.424
327.4667 2505.616
327.9489 2519.301
328.4310 2522.380
328.9131 2508.978
329.3952 2477.224
329.8773 2427.004
330.3594 2364.005
330.8416 2285.566
331.3237 2197.396
331.8058 2103.222
332.2879 1999.190
332.7700 1894.818
333.2521 1788.550
333.7343 1681.345
334.2164 1577.171
334.6985 1475.892
335.1806 1379.560
335.6627 1289.255
336.1448 1206.334
336.6270 1127.545
337.1091 1052.989
337.5912 983.3162
338.0733 918.9366
338.5554 860.8176
339.0375 806.9068
339.5197 756.5051
340.0018 710.0510
340.4839 666.2588
340.9660 625.8660
341.4481 588.3021
341.9302 554.0203
342.4124 522.8029
342.8945 493.8849
343.3766 466.7987
343.8587 441.7522
344.3408 418.5464
344.8229 397.3293
345.3051 377.7835
345.7872 359.9795
346.2693 343.8026
346.7514 327.9569
347.2335 312.1904
347.7156 296.9098
348.1978 283.1920
348.6799 270.9425
349.1620 259.5527
349.6441 248.7401
350.1262 238.6305
350.6083 229.5486
351.0905 221.5042
351.5726 213.8664
352.0547 205.7894
352.5368 197.5400
353.0189 189.8760
353.5010 183.6284
353.9832 177.9653
354.4653 171.7774
354.9474 164.9214
355.4295 158.2701
355.9116 152.4599
356.3937 147.2554
356.8759 142.4075
357.3580 137.8001
357.8401 133.4276
358.3222 129.3967
358.8043 125.6205
359.2864 121.8629
359.7686 117.9082
360.2507 113.9386
360.7328 110.1379
361.2149 106.4640
361.6970 103.0452
362.1791 100.1391
362.6613 97.52728
363.1434 94.71237
363.6255 91.14981
364.1076 87.65878
364.5897 84.65240
365.0718 82.39569
365.5540 80.03937
366.0361 77.24634
366.5182 74.34888
367.0003 71.76962
367.4824 69.94351
367.9645 67.94095
368.4467 65.51184
368.9288 62.67908
369.4109 59.89862
369.8930 57.00510
370.3751 54.31320
370.8572 52.06656
371.3394 50.72235
371.8215 49.12332
372.3036 46.98590
372.7857 44.50232
373.2678 42.45337
373.7499 41.12332
374.2321 39.63727
374.7142 37.46225
375.1963 34.26395
375.6784 32.11600
376.1605 31.29953
376.6426 31.02878
377.1248 30.17313
377.6069 28.64188
378.0890 27.09000
378.5711 25.78500
379.0532 24.67935
379.5353 23.43478
380.0175 22.02145
380.4996 20.43796
380.9817 18.50961
381.4638 16.33594
381.9459 14.58780
382.4280 13.43661
382.9102 12.72626
383.3923 12.40240
383.8744 12.41125
384.3565 12.19543
384.8386 11.19919
385.3207 9.748535
385.8029 8.520813
386.2850 7.584473
386.7671 6.825317
387.2492 6.103119
387.7313 5.467041
388.2134 5.037903
388.6956 4.812988
389.1777 4.839569
389.6598 5.547302
390.1419 6.886780
390.6240 7.574463
391.1061 6.182678
391.5883 3.953949
392.0704 2.214264
392.5525 1.562775
393.0346 1.165405
393.5167 0.6530760
393.9988 8.1207000E-02
394.4810 0.3804930
394.9631 0.5320430
395.4452 0.6478270
395.9273 0.9164730
396.4094 1.482117
396.8915 1.830688
397.3737 1.735046
397.8558 1.426697
398.3379 1.183472
398.8200 1.115784
399.3021 1.016632
399.7842 0.8380130
400.2664 0.5893250
400.7485 0.4480290
401.2306 0.4560850
401.7127 0.5332030
402.1948 0.6555180
402.6769 0.9542850
403.1591 0.9762270
403.6412 0.4674380
404.1233 0.2254330
404.6054 0.1020810
405.0875 1.213593
405.5696 2.225861
406.0518 2.044678
406.5339 0.6052860
407.0160 0.3740230
407.4981 1.679443
407.9802 3.254150
408.4623 3.499451
408.9445 2.437195
409.4266 1.448700
409.9087 0.8752140
410.3908 0.6044620
410.8729 0.4754030
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