#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:27:43 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1111 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100050.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_2100050
loop_
_publ_author_name
'Baur, W. H.'
'Khan, A. A.'
_publ_section_title
;
 Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other
 rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_compound_source        R060563
_chemical_formula_sum            'O2 Sn'
_chemical_name_mineral           Cassiterite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7380
_cell_length_b                   4.7380
_cell_length_c                   3.1865
_cell_volume                     71.533
_exptl_crystal_density_diffrn    6.997
_cod_original_formula_sum        'Sn O2'
_cod_database_code               9007533
_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            R060563.rod
_rod_data_source.block           3500000
_rod_database.code               2100050
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 9007533 COD http://www.crystallography.net/cod/9007533.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
90.59570 0.0000000E+00
91.07782 1.531128
91.55994 14.44800
92.04205 43.40601
92.52417 75.53723
93.00629 106.0770
93.48840 125.0045
93.97052 123.4062
94.45264 100.4762
94.93475 72.78564
95.41687 52.21802
95.89898 41.57056
96.38110 36.87378
96.86321 34.86475
97.34533 32.14197
97.82745 25.90747
98.30956 22.04675
98.79168 21.46289
99.27380 21.11279
99.75591 20.08264
100.2380 19.09741
100.7201 19.76123
101.2023 24.45850
101.6844 31.47534
102.1665 34.98743
102.6486 34.52686
103.1307 34.11084
103.6128 33.52539
104.0950 35.65527
104.5771 38.78442
105.0592 41.04077
105.5413 42.48688
106.0234 43.85162
106.5055 44.69202
106.9877 45.14001
107.4698 47.07013
107.9519 53.82037
108.4340 58.47559
108.9161 58.94861
109.3982 55.31628
109.8804 48.19623
110.3625 36.83118
110.8446 19.54846
111.3267 7.137878
111.8088 1.314697
112.2909 1.642944
112.7731 2.011475
113.2552 0.7344360
113.7373 0.7904050
114.2194 0.7425540
114.7015 2.887146
115.1836 4.080139
115.6658 1.407959
116.1479 2.416687
116.6300 5.554016
117.1121 8.381042
117.5942 11.71204
118.0763 15.08398
118.5584 17.35681
119.0406 20.48328
119.5227 24.67725
120.0048 28.07202
120.4869 31.34570
120.9690 34.31531
121.4511 36.67175
121.9333 38.25647
122.4154 39.52570
122.8975 41.48267
123.3796 44.67523
123.8617 49.27362
124.3438 53.72668
124.8260 58.37811
125.3081 62.11145
125.7902 63.36700
126.2723 61.08221
126.7544 56.71930
127.2365 53.54852
127.7187 52.00110
128.2008 51.01367
128.6829 49.98950
129.1650 49.23163
129.6471 49.35638
130.1292 51.01813
130.6114 53.99219
131.0935 54.94946
131.5756 51.63959
132.0577 48.37549
132.5398 46.72260
133.0219 46.06537
133.5041 44.71240
133.9862 40.92834
134.4683 33.97913
134.9504 29.39032
135.4325 28.34637
135.9146 28.20020
136.3968 27.76196
136.8789 26.74420
137.3610 25.20850
137.8431 23.13885
138.3252 20.35333
138.8073 17.89990
139.2895 15.49249
139.7716 13.56451
140.2537 13.06506
140.7358 14.55951
141.2179 16.11255
141.7000 15.06775
142.1821 11.72754
142.6643 7.660767
143.1464 2.862061
143.6285 2.302490
144.1106 6.536987
144.5927 9.398071
145.0748 11.27936
145.5570 12.46088
146.0391 12.96545
146.5212 13.56543
147.0033 15.14880
147.4854 17.87769
147.9675 20.04120
148.4497 16.80756
148.9318 13.62213
149.4139 11.77631
149.8960 11.49518
150.3781 11.87714
150.8602 11.64319
151.3424 10.85706
151.8245 9.247742
152.3066 6.403809
152.7887 3.168579
153.2708 0.1565550
153.7529 2.399048
154.2351 4.616089
154.7172 6.769104
155.1993 8.339844
155.6814 10.54218
156.1635 14.28131
156.6456 18.43146
157.1278 21.63586
157.6099 23.20581
158.0920 23.42297
158.5741 23.39807
159.0562 22.38007
159.5383 21.93488
160.0205 22.75220
160.5026 24.44775
160.9847 26.23206
161.4668 27.78455
161.9489 29.06073
162.4310 29.90552
162.9131 29.93921
163.3953 29.92993
163.8774 30.47229
164.3595 31.49628
164.8416 32.29498
165.3237 32.31067
165.8058 31.84961
166.2880 31.57397
166.7701 31.47461
167.2522 31.59662
167.7343 32.06561
168.2164 32.91315
168.6985 33.70435
169.1807 34.25720
169.6628 34.59180
170.1449 34.71637
170.6270 34.77350
171.1091 34.88275
171.5912 35.16437
172.0734 35.79724
172.5555 35.74280
173.0376 34.48969
173.5197 32.88837
174.0018 31.88092
174.4839 32.00940
174.9661 32.97699
175.4482 33.31140
175.9303 32.27161
176.4124 31.34583
176.8945 30.87415
177.3766 30.82397
177.8588 31.10004
178.3409 31.65228
178.8230 32.48358
179.3051 33.34125
179.7872 34.89160
180.2693 35.85962
180.7515 35.25000
181.2336 33.62854
181.7157 32.43323
182.1978 32.95752
182.6799 35.43896
183.1620 37.32910
183.6441 38.37280
184.1263 39.15314
184.6084 39.81567
185.0905 40.42651
185.5726 41.13318
186.0547 42.08795
186.5368 43.34052
187.0190 44.44446
187.5011 45.30084
187.9832 46.10828
188.4653 46.93372
188.9474 47.78424
189.4296 48.77814
189.9117 50.11957
190.3938 51.80225
190.8759 53.39429
191.3580 54.71741
191.8401 55.95563
192.3223 57.27277
192.8044 58.69653
193.2865 60.34052
193.7686 62.42291
194.2507 64.82855
194.7328 67.26251
195.2150 69.66412
195.6971 72.02631
196.1792 74.35468
196.6613 76.66711
197.1434 78.88672
197.6255 80.84338
198.1077 82.67834
198.5898 84.70575
199.0719 87.04938
199.5540 89.67590
200.0361 92.51965
200.5182 95.52167
201.0004 98.69104
201.4825 101.8527
201.9646 105.0782
202.4467 108.4980
202.9288 112.3614
203.4109 116.6758
203.8930 120.6528
204.3752 123.7714
204.8573 127.0048
205.3394 130.8147
205.8215 135.0143
206.3036 139.3555
206.7857 143.1921
207.2679 146.3560
207.7500 150.4995
208.2321 156.3086
208.7142 162.5060
209.1963 168.7084
209.6784 175.0195
210.1606 181.7679
210.6427 189.1983
211.1248 197.2449
211.6069 205.9775
212.0890 215.0681
212.5711 224.8191
213.0533 235.6402
213.5354 247.3379
214.0175 259.3795
214.4996 271.1340
214.9817 282.3812
215.4638 295.0618
215.9460 309.4897
216.4281 324.7183
216.9102 340.3848
217.3923 356.4206
217.8744 373.0737
218.3565 390.4431
218.8387 408.5672
219.3208 427.7288
219.8029 448.0089
220.2850 469.1808
220.7671 491.1086
221.2492 513.7977
221.7314 537.3426
222.2135 561.7944
222.6956 587.2841
223.1777 613.8750
223.6598 641.8973
224.1419 670.7767
224.6240 699.8723
225.1062 729.2308
225.5883 759.2676
226.0704 790.2555
226.5525 822.2622
227.0346 855.6695
227.5167 890.3638
227.9989 926.5082
228.4810 963.9567
228.9631 1002.641
229.4452 1042.428
229.9273 1082.756
230.4094 1123.993
230.8916 1167.415
231.3737 1213.144
231.8558 1261.067
232.3379 1311.206
232.8200 1363.630
233.3021 1417.665
233.7843 1473.352
234.2664 1530.591
234.7485 1589.551
235.2306 1650.353
235.7127 1712.836
236.1948 1777.651
236.6770 1845.792
237.1591 1913.713
237.6412 1980.781
238.1233 2046.554
238.6054 2111.239
239.0875 2175.994
239.5697 2238.128
240.0518 2293.977
240.5339 2344.875
241.0160 2385.462
241.4981 2418.007
241.9802 2438.124
242.4624 2440.782
242.9445 2424.752
243.4266 2388.833
243.9087 2330.170
244.3908 2246.824
244.8729 2144.688
245.3550 2017.908
245.8372 1879.092
246.3193 1735.961
246.8014 1590.412
247.2835 1446.988
247.7656 1310.402
248.2477 1179.528
248.7299 1060.188
249.2120 953.7626
249.6941 857.5321
250.1762 770.4058
250.6583 691.8290
251.1404 621.4545
251.6226 558.3526
252.1047 504.1930
252.5868 454.9800
253.0689 409.9142
253.5510 368.9042
254.0331 331.8442
254.5153 298.7572
254.9974 269.2645
255.4795 242.8333
255.9616 220.4960
256.4437 199.4732
256.9258 178.9116
257.4080 159.8882
257.8901 143.2484
258.3722 129.0733
258.8543 116.4863
259.3364 104.3319
259.8185 92.42133
260.3007 81.53729
260.7828 71.48236
261.2649 62.24963
261.7470 53.81183
262.2291 46.15814
262.7112 39.47345
263.1934 33.97797
263.6755 29.94879
264.1576 26.20972
264.6397 22.59448
265.1218 19.34875
265.6039 16.40875
266.0861 13.91272
266.5682 12.34045
267.0503 12.35553
267.5324 14.40906
268.0145 15.08752
268.4966 14.36707
268.9788 12.62976
269.4609 9.498901
269.9430 5.369995
270.4251 1.269348
270.9072 2.084106
271.3893 4.679260
271.8715 5.759216
272.3536 6.269226
272.8357 4.740601
273.3178 0.1033940
273.7999 7.165894
274.2820 15.72528
274.7642 24.65350
275.2463 34.04523
275.7284 45.27124
276.2105 56.87268
276.6926 71.31274
277.1747 90.02911
277.6568 112.3080
278.1389 136.1954
278.6211 160.4377
279.1032 185.7371
279.5853 215.8783
280.0674 249.1161
280.5495 287.9810
281.0316 333.2455
281.5138 384.5625
281.9959 441.8011
282.4780 505.0854
282.9601 573.5702
283.4422 644.6691
283.9243 722.3591
284.4065 795.5300
284.8886 871.4087
285.3707 939.0084
285.8528 984.3349
286.3349 1003.515
286.8170 994.6096
287.2992 948.1358
287.7813 855.8751
288.2634 759.5285
288.7455 658.1875
289.2276 559.3358
289.7097 472.3539
290.1919 399.3174
290.6740 337.9980
291.1561 286.4221
291.6382 245.5151
292.1203 210.5077
292.6024 182.2120
293.0846 158.9155
293.5667 139.6859
294.0488 124.2465
294.5309 111.2197
295.0130 99.56329
295.4951 89.41846
295.9773 80.45056
296.4594 72.75827
296.9415 66.16217
297.4236 60.65137
297.9057 56.15567
298.3878 52.22421
298.8700 48.65106
299.3521 45.56284
299.8342 43.01425
300.3163 41.54709
300.7984 40.03290
301.2805 37.49118
301.7627 34.21460
302.2448 31.48340
302.7269 30.04224
303.2090 29.58313
303.6911 29.05042
304.1732 28.51184
304.6554 27.84900
305.1375 27.08392
305.6196 26.17529
306.1017 24.99597
306.5838 23.49036
307.0659 21.66391
307.5481 19.40411
308.0302 16.47064
308.5123 14.00259
308.9944 12.75513
309.4765 12.14713
309.9586 11.14871
310.4408 9.451141
310.9229 7.648590
311.4050 6.538177
311.8871 6.080292
312.3692 5.942688
312.8513 6.356873
313.3335 6.892548
313.8156 6.984924
314.2977 6.548706
314.7798 6.009277
315.2619 5.755920
315.7440 5.747009
316.2262 5.595551
316.7083 5.060577
317.1904 4.588470
317.6725 4.638489
318.1546 5.153473
318.6367 5.564301
319.1188 5.481750
319.6010 4.978546
320.0831 4.484711
320.5652 3.796722
321.0473 3.265411
321.5294 3.201721
322.0115 3.543182
322.4937 3.952362
322.9758 4.316589
323.4579 4.555634
323.9400 4.517487
324.4221 4.081573
324.9042 3.780243
325.3864 3.855530
325.8685 4.078186
326.3506 4.155548
326.8327 4.049164
327.3148 3.780853
327.7969 3.274017
328.2791 2.468475
328.7612 1.681366
329.2433 1.037170
329.7254 0.4137270
330.2075 0.3251950
330.6896 1.171265
331.1718 2.080811
331.6539 3.224396
332.1360 4.622894
332.6181 5.210938
333.1002 4.214447
333.5823 2.942566
334.0645 2.311798
334.5466 2.315765
335.0287 2.553162
335.5108 2.801453
335.9929 3.064117
336.4750 3.262848
336.9572 3.602844
337.4393 3.693329
337.9214 3.168182
338.4035 2.272949
338.8856 1.584198
339.3677 1.382111
339.8499 1.486969
340.3320 1.425629
340.8141 1.036530
341.2962 0.7937620
341.7783 0.9185790
342.2604 1.219452
342.7426 1.414551
343.2247 1.407257
343.7068 1.330139
344.1889 1.382355
344.6710 1.646484
345.1531 1.807831
345.6353 1.762115
346.1174 1.680908
346.5995 1.740845
347.0816 1.917938
347.5637 1.986969
348.0458 1.661987
348.5280 0.9057010
349.0101 0.7705080
349.4922 1.827209
349.9743 2.814148
350.4564 3.176819
350.9385 3.033417
351.4207 2.700012
351.9028 2.329529
352.3849 1.961548
352.8670 1.779694
353.3491 1.985809
353.8312 2.118713
354.3134 2.353180
354.7955 2.397583
355.2776 1.656586
355.7597 3.6437999E-02
356.2418 1.860168
356.7239 2.345245
357.2061 0.3333440
357.6882 0.6651920
358.1703 0.1463010
358.6524 0.8970950
359.1345 2.000610
359.6166 3.002960
360.0987 3.777954
360.5808 4.213226
361.0630 4.311279
361.5451 4.004486
362.0272 2.986908
362.5093 1.913025
362.9914 0.8765870
363.4735 5.3344999E-02
363.9557 0.7636720
364.4378 1.187378
364.9199 1.351593
365.4020 1.363129
365.8841 1.072723
366.3662 0.8225100
366.8484 0.5822450
367.3305 0.4299320
367.8126 0.4812320
368.2947 0.7578740
368.7768 1.121765
369.2589 1.380188
369.7411 1.545410
370.2232 1.555756
370.7053 1.303345
371.1874 0.9992680
371.6695 0.7776790
372.1516 0.6216130
372.6338 0.4099430
373.1159 2.5574001E-02
373.5980 0.6702880
374.0801 1.005402
374.5622 0.7019040
375.0443 0.4836430
375.5265 0.5985410
376.0086 0.9438780
376.4907 1.349487
376.9728 1.723206
377.4549 2.132111
377.9370 2.811829
378.4192 3.982910
378.9013 4.791809
379.3834 4.654755
379.8655 4.281555
380.3476 4.277435
380.8297 4.756775
381.3119 5.229797
381.7940 4.969727
382.2761 4.003082
382.7582 3.836548
383.2403 5.355011
383.7224 6.901520
384.2046 7.231720
384.6867 6.616913
385.1688 6.068970
385.6509 6.139648
386.1330 6.654663
386.6151 7.272919
387.0973 8.037811
387.5794 8.742096
388.0615 9.190857
388.5436 9.509277
389.0257 9.886475
389.5078 10.39362
389.9900 10.85806
390.4721 11.23181
390.9542 11.54501
391.4363 11.59207
391.9184 11.12991
392.4005 10.52298
392.8827 10.31113
393.3648 10.51089
393.8469 10.73090
394.3290 10.79451
394.8111 10.78661
395.2932 10.91248
395.7754 11.24585
396.2575 11.52811
396.7396 11.47577
397.2217 11.09793
397.7038 10.78027
398.1859 10.37137
398.6681 10.19377
399.1501 10.62781
399.6323 11.49333
400.1144 12.16321
400.5965 12.29559
401.0786 12.09404
401.5607 12.12144
402.0428 12.38986
402.5250 12.79120
403.0071 13.44458
403.4892 14.17242
403.9713 14.76035
404.4534 15.15060
404.9355 15.43219
405.4177 15.73587
405.8998 16.13013
406.3819 16.27725
406.8640 15.91119
407.3461 15.47855
407.8282 15.09241
408.3104 14.86993
408.7925 15.00964
409.2746 15.66647
409.7567 16.71323
410.2388 17.55994
410.7209 17.88647
411.2031 18.38004
411.6852 19.36319
412.1673 20.39084
412.6494 21.04013
413.1315 21.25485
413.6136 21.31778
414.0958 21.47733
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