#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:17:00 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1058 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100046.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_2100046
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 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            R060563.rod
_rod_data_source.block           3500000
_rod_database.code               2100046
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
89.78320 0.0000000E+00
90.26532 0.9230350
90.74744 2.979431
91.22955 4.488281
91.71167 8.092102
92.19379 20.57321
92.67590 40.04459
93.15802 54.79886
93.64014 53.03931
94.12225 39.93820
94.60437 30.50308
95.08649 28.45547
95.56860 30.13922
96.05072 29.82928
96.53284 28.81708
97.01495 28.74338
97.49707 27.78470
97.97919 23.27817
98.46130 17.35736
98.94342 12.85007
99.42554 10.25110
99.90765 10.36752
100.3898 14.21445
100.8719 18.65558
101.3540 18.80981
101.8361 13.66879
102.3182 8.134338
102.8004 3.945282
103.2825 1.240326
103.7646 0.7077940
104.2467 2.020020
104.7288 2.556396
105.2109 2.055603
105.6931 1.229065
106.1752 1.478699
106.6573 6.894928
107.1394 16.53412
107.6215 26.23752
108.1036 38.50629
108.5858 51.81674
109.0679 57.20502
109.5500 48.60046
110.0321 36.88535
110.5142 27.90024
110.9963 22.76727
111.4785 19.00253
111.9606 16.58487
112.4427 15.45230
112.9248 14.83389
113.4069 14.30478
113.8890 14.35611
114.3712 15.38519
114.8533 17.08426
115.3354 20.08514
115.8175 25.67078
116.2996 34.32834
116.7817 40.72604
117.2639 41.33331
117.7460 39.12381
118.2281 38.13876
118.7102 41.80017
119.1923 44.96091
119.6744 44.17899
120.1566 38.30020
120.6387 32.40640
121.1208 29.12244
121.6029 27.73264
122.0850 27.40894
122.5671 26.68149
123.0493 27.15857
123.5314 31.53677
124.0135 42.13983
124.4956 51.97827
124.9777 53.59802
125.4598 48.23935
125.9420 41.37802
126.4241 35.59912
126.9062 30.78320
127.3883 26.87225
127.8704 23.91095
128.3525 22.20508
128.8347 21.73691
129.3168 22.58716
129.7989 23.88544
130.2810 25.48727
130.7631 27.30011
131.2452 28.43616
131.7274 28.94193
132.2095 29.07947
132.6916 28.45151
133.1737 26.84274
133.6558 24.58179
134.1379 21.68811
134.6201 18.28143
135.1022 15.39233
135.5843 13.66721
136.0664 13.02429
136.5485 12.38617
137.0306 11.98685
137.5128 11.84247
137.9949 11.58435
138.4770 10.88632
138.9591 11.79596
139.4412 15.87695
139.9233 23.52911
140.4055 28.26709
140.8876 29.70215
141.3697 28.58578
141.8518 25.82635
142.3339 20.66714
142.8160 15.58597
143.2982 11.37399
143.7803 8.058197
144.2624 5.712097
144.7445 4.774750
145.2266 4.675354
145.7087 4.062439
146.1909 2.153015
146.6730 0.7210690
147.1551 0.5733950
147.6372 3.409058
148.1193 5.150330
148.6014 5.365814
149.0836 4.427124
149.5657 3.607819
150.0478 2.945618
150.5299 2.390533
151.0120 1.917633
151.4941 0.8799440
151.9763 0.6730040
152.4584 1.934052
152.9405 4.290436
153.4226 5.876099
153.9047 5.590485
154.3868 5.109253
154.8690 5.339020
155.3511 7.328705
155.8332 9.030121
156.3153 10.40372
156.7974 11.36407
157.2795 11.22476
157.7617 8.913940
158.2438 6.005035
158.7259 3.604065
159.2080 1.823364
159.6901 0.6654050
160.1722 0.3700870
160.6544 0.8757020
161.1365 1.284424
161.6186 1.181793
162.1007 0.8417050
162.5828 0.5586850
163.0649 0.3109130
163.5471 0.3514400
164.0292 1.252472
164.5113 2.984955
164.9934 3.994476
165.4755 2.780212
165.9576 0.5157470
166.4398 1.316284
166.9219 1.839874
167.4040 1.986023
167.8861 2.457977
168.3682 3.325684
168.8503 3.893585
169.3325 3.469727
169.8146 2.474609
170.2967 1.595856
170.7788 1.454712
171.2609 1.363739
171.7430 0.3700260
172.2252 1.753632
172.7073 3.358063
173.1894 2.624146
173.6715 0.3296200
174.1536 1.746368
174.6357 2.770569
175.1179 3.128876
175.6000 3.218719
176.0821 3.046417
176.5642 2.755646
177.0463 2.371399
177.5284 1.954041
178.0106 1.695251
178.4927 1.910370
178.9748 2.301178
179.4569 2.250458
179.9390 1.579559
180.4211 0.9148560
180.9033 1.314453
181.3854 2.514008
181.8675 3.264496
182.3496 2.434174
182.8317 0.6492000
183.3138 0.6476140
183.7960 1.256439
184.2781 1.455719
184.7602 1.360687
185.2423 1.041901
185.7244 1.093536
186.2065 2.121368
186.6887 3.865204
187.1708 5.438965
187.6529 6.818726
188.1350 7.834167
188.6171 7.872345
189.0992 6.964020
189.5814 6.235138
190.0635 6.680359
190.5456 8.089874
191.0277 8.921631
191.5098 8.891418
191.9919 8.397827
192.4741 8.112762
192.9562 8.027710
193.4383 8.322693
193.9204 9.278290
194.4025 10.85260
194.8846 12.34607
195.3668 13.73660
195.8489 14.93460
196.3310 15.60745
196.8131 15.68634
197.2952 15.75140
197.7773 16.11279
198.2595 16.76755
198.7416 17.89435
199.2237 19.65024
199.7058 21.76965
200.1879 23.44003
200.6700 24.58978
201.1522 25.70108
201.6343 27.02600
202.1164 28.54709
202.5985 30.56488
203.0806 33.33600
203.5627 36.49286
204.0449 38.61795
204.5270 39.39474
205.0091 40.14886
205.4912 41.92038
205.9733 44.76715
206.4554 47.61414
206.9376 50.37701
207.4197 53.03409
207.9018 55.48917
208.3839 57.54907
208.8660 59.90042
209.3481 63.10181
209.8303 67.45520
210.3124 71.58466
210.7945 75.15088
211.2766 78.34238
211.7587 82.18829
212.2408 86.85751
212.7230 91.85928
213.2051 96.85120
213.6872 101.6575
214.1693 107.0904
214.6514 113.2525
215.1335 120.0992
215.6157 127.1132
216.0978 134.2502
216.5799 141.7194
217.0620 149.7875
217.5441 158.6648
218.0262 167.4576
218.5084 175.9806
218.9905 184.4821
219.4726 193.6440
219.9547 203.4951
220.4368 214.1877
220.9189 225.7748
221.4011 238.6322
221.8832 251.7152
222.3653 264.9086
222.8474 278.2459
223.3295 292.5435
223.8116 307.5454
224.2938 323.2976
224.7759 339.9644
225.2580 357.6180
225.7401 375.7950
226.2222 394.9074
226.7043 414.5102
227.1865 433.5388
227.6686 450.9824
228.1507 468.8337
228.6328 488.1127
229.1149 509.5020
229.5970 530.5366
230.0792 550.3088
230.5613 569.5688
231.0434 590.7230
231.5255 613.7418
232.0076 638.2131
232.4897 663.8837
232.9719 691.2733
233.4540 718.6948
233.9361 746.0014
234.4182 773.4810
234.9003 802.6166
235.3824 834.2363
235.8646 866.3422
236.3467 897.9183
236.8288 928.5781
237.3109 959.6331
237.7930 991.6108
238.2751 1024.044
238.7573 1054.847
239.2394 1085.407
239.7215 1112.227
240.2036 1134.462
240.6857 1153.680
241.1678 1164.846
241.6500 1168.406
242.1321 1163.786
242.6142 1149.235
243.0963 1124.116
243.5784 1089.894
244.0605 1047.092
244.5427 993.8771
245.0248 935.9616
245.5069 871.4577
245.9890 802.7737
246.4711 735.8942
246.9532 669.3386
247.4354 606.0173
247.9175 547.5064
248.3996 493.4318
248.8817 444.3008
249.3638 400.5265
249.8459 361.4550
250.3281 326.0151
250.8102 294.4919
251.2923 266.0146
251.7744 239.9996
252.2565 216.6582
252.7386 195.9847
253.2208 178.4900
253.7029 163.3004
254.1850 148.6839
254.6671 134.1475
255.1492 121.0976
255.6313 110.3060
256.1135 102.1478
256.5956 93.85828
257.0777 85.24121
257.5598 76.77020
258.0419 69.14740
258.5240 62.69006
259.0062 56.51572
259.4883 50.21732
259.9704 43.83603
260.4525 38.41125
260.9346 34.16632
261.4167 30.68347
261.8989 27.56174
262.3810 24.92181
262.8631 22.39578
263.3452 19.81714
263.8273 17.16278
264.3094 15.34277
264.7916 14.53152
265.2737 14.23019
265.7558 13.84732
266.2379 13.13947
266.7200 13.21323
267.2021 14.45975
267.6843 16.75586
268.1664 18.91711
268.6485 20.89819
269.1306 22.82397
269.6127 24.79376
270.0948 26.82828
270.5770 28.76797
271.0591 30.57321
271.5412 32.24060
272.0233 33.74197
272.5054 34.94601
272.9875 36.27539
273.4697 37.93552
273.9518 39.89240
274.4339 42.45422
274.9160 45.57254
275.3981 49.35394
275.8802 54.14450
276.3624 59.82730
276.8445 66.75198
277.3266 74.91428
277.8087 84.25156
278.2908 95.73947
278.7729 109.3337
279.2551 125.2498
279.7372 143.6128
280.2193 164.5047
280.7014 187.8584
281.1835 214.1155
281.6656 243.2572
282.1478 274.1639
282.6299 307.2464
283.1120 341.1689
283.5941 375.3460
284.0762 410.1667
284.5583 439.5501
285.0405 463.9936
285.5226 482.4061
286.0047 483.7650
286.4868 466.8296
286.9689 436.7343
287.4510 396.1633
287.9332 345.6789
288.4153 296.4359
288.8974 252.8405
289.3795 214.4084
289.8616 181.1974
290.3438 153.3263
290.8259 129.8793
291.3080 110.3345
291.7901 94.66852
292.2722 81.66885
292.7543 71.63721
293.2365 63.85709
293.7186 56.95016
294.2007 50.98169
294.6828 45.70377
295.1649 40.96667
295.6470 36.79883
296.1292 33.12366
296.6113 30.00089
297.0934 27.34705
297.5755 25.07669
298.0576 23.16602
298.5397 21.45410
299.0219 19.83084
299.5040 18.27768
299.9861 16.76434
300.4682 15.25381
300.9503 13.90448
301.4324 12.87488
301.9146 12.16318
302.3967 11.68951
302.8788 11.63385
303.3609 11.73047
303.8430 11.60922
304.3251 11.23300
304.8073 10.73956
305.2894 10.30576
305.7715 9.831421
306.2536 9.050659
306.7357 7.376495
307.2178 5.586609
307.7000 4.631958
308.1821 4.658539
308.6642 4.779175
309.1463 4.212189
309.6284 3.326721
310.1105 2.685638
310.5927 2.873505
311.0748 3.139832
311.5569 2.832581
312.0390 1.950928
312.5211 1.203094
313.0032 1.087280
313.4854 1.266052
313.9675 1.395325
314.4496 1.379120
314.9317 1.258484
315.4138 0.9068600
315.8959 0.3971250
316.3781 0.1232300
316.8602 0.3598020
317.3423 0.8596190
317.8244 1.483215
318.3065 2.482727
318.7886 3.167145
319.2708 3.097076
319.7529 2.514648
320.2350 2.085358
320.7171 2.133240
321.1992 2.263168
321.6813 2.263229
322.1635 2.040039
322.6456 1.918152
323.1277 1.946136
323.6098 2.112900
324.0919 2.401505
324.5740 3.192032
325.0562 3.743973
325.5383 3.735123
326.0204 2.959595
326.5025 2.339081
326.9846 2.015030
327.4667 1.884735
327.9489 1.823883
328.4310 2.066116
328.9131 2.105042
329.3952 1.736633
329.8773 0.9294590
330.3594 0.3788450
330.8416 0.2662350
331.3237 0.3025360
331.8058 0.2855680
332.2879 0.1716610
332.7700 7.1990997E-02
333.2521 3.1326000E-02
333.7343 0.1415100
334.2164 0.2090760
334.6985 0.2280880
335.1806 0.1545870
335.6627 2.6047001E-02
336.1448 0.2940520
336.6270 0.5092320
337.1091 0.6790470
337.5912 0.8524780
338.0733 1.103455
338.5554 1.473221
339.0375 1.792114
339.5197 1.959900
340.0018 1.956787
340.4839 2.022705
340.9660 2.202072
341.4481 2.391464
341.9302 2.513657
342.4124 2.584274
342.8945 2.426300
343.3766 1.761093
343.8587 0.7814330
344.3408 0.5870670
344.8229 1.286392
345.3051 2.116852
345.7872 2.348785
346.2693 2.076462
346.7514 1.888809
347.2335 1.964066
347.7156 2.109924
348.1978 1.907715
348.6799 1.388824
349.1620 0.9022220
349.6441 0.7097170
350.1262 0.7077030
350.6083 0.6477660
351.0905 0.4718930
351.5726 0.3603820
352.0547 0.6556090
352.5368 1.203018
353.0189 1.542374
353.5010 1.303284
353.9832 0.7932890
354.4653 0.3446350
354.9474 3.5797000E-02
355.4295 0.3104550
355.9116 0.5228580
356.3937 0.6007080
356.8759 0.4272770
357.3580 0.4144440
357.8401 1.205551
358.3222 1.342224
358.8043 0.9231260
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359.7686 0.7669530
360.2507 1.045929
360.7328 0.9027710
361.2149 6.3079998E-02
361.6970 0.9671020
362.1791 1.494629
362.6613 1.710403
363.1434 1.751923
363.6255 1.448380
364.1076 1.156906
364.5897 1.051697
365.0718 1.186508
365.5540 1.377487
366.0361 1.650009
366.5182 1.942032
367.0003 2.178986
367.4824 2.378799
367.9645 2.491577
368.4467 2.457184
368.9288 2.259293
369.4109 2.156006
369.8930 2.191422
370.3751 2.281021
370.8572 2.376968
371.3394 2.531784
371.8215 2.591187
372.3036 2.517532
372.7857 2.341125
373.2678 2.165802
373.7499 1.978027
374.2321 1.822174
374.7142 1.740707
375.1963 1.780472
375.6784 1.694443
376.1605 1.434952
376.6426 1.113647
377.1248 0.9358520
377.6069 0.9417270
378.0890 0.8462220
378.5711 0.4811710
379.0532 9.0163998E-02
379.5353 0.3591310
380.0175 0.2895810
380.4996 0.1091160
380.9817 4.5469999E-03
381.4638 4.9500000E-02
381.9459 2.4307000E-02
382.4280 5.5725001E-02
382.9102 0.2279970
383.3923 0.6966090
383.8744 1.419144
384.3565 1.944138
384.8386 1.812119
385.3207 1.300629
385.8029 0.9468080
386.2850 0.7886050
386.7671 0.8434300
387.2492 1.328812
387.7313 2.048096
388.2134 2.545166
388.6956 2.476105
389.1777 2.181610
389.6598 1.898178
390.1419 1.640533
390.6240 1.505997
391.1061 1.775894
391.5883 2.107834
392.0704 2.103577
392.5525 1.211044
393.0346 0.5840000
393.5167 1.061951
393.9988 2.252090
394.4810 3.052811
394.9631 2.786560
395.4452 2.265869
395.9273 1.857040
396.4094 1.581329
396.8915 1.482468
397.3737 1.718918
397.8558 2.084427
398.3379 2.324829
398.8200 2.424530
399.3021 2.377716
399.7842 2.018906
400.2664 1.348923
400.7485 1.165649
401.2306 1.743835
401.7127 2.536453
402.1948 3.230453
402.6769 3.901825
403.1591 4.284531
403.6412 4.253296
404.1233 3.972321
404.6054 3.859482
405.0875 3.966660
405.5696 4.089081
406.0518 4.087341
406.5339 3.951569
407.0160 4.188339
407.4981 4.907074
407.9802 5.691498
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