#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:26:40 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1095 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100049.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_2100049
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        R050502
_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            R050502.rod
_rod_data_source.block           3500000
_rod_database.code               2100049
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
95.26965 0.0000000E+00
95.75177 1.996124
96.23389 3.037384
96.71600 3.669525
97.19812 3.917236
97.68024 3.797272
98.16235 6.312927
98.64447 7.437531
99.12659 8.000977
99.60870 6.891937
100.0908 3.818665
100.5729 0.7030640
101.0551 0.9372560
101.5372 0.3517760
102.0193 1.963928
102.5014 3.762451
102.9835 4.217407
103.4656 4.883575
103.9478 6.146851
104.4299 7.774384
104.9120 9.340912
105.3941 10.54059
105.8762 11.35428
106.3583 11.60995
106.8405 10.39676
107.3226 9.341736
107.8047 9.513824
108.2868 10.95984
108.7689 12.75357
109.2510 13.74524
109.7332 13.82651
110.2153 14.59900
110.6974 16.59894
111.1795 19.31964
111.6616 22.14960
112.1437 25.14148
112.6259 27.78232
113.1080 29.34183
113.5901 29.91629
114.0722 30.56821
114.5543 32.21280
115.0364 34.79846
115.5185 36.89261
116.0007 38.24469
116.4828 38.95798
116.9649 38.75146
117.4470 37.63293
117.9291 36.47534
118.4112 36.56247
118.8934 38.54086
119.3755 39.91165
119.8576 39.75974
120.3397 39.36926
120.8218 39.92310
121.3039 41.87289
121.7861 44.54865
122.2682 46.07373
122.7503 45.64496
123.2324 44.78333
123.7145 43.39584
124.1966 41.63275
124.6788 39.75339
125.1609 37.90219
125.6430 36.04788
126.1251 33.88739
126.6072 30.91092
127.0893 28.17148
127.5715 26.16910
128.0536 24.80942
128.5357 23.73795
129.0178 22.80670
129.4999 21.99463
129.9821 21.05731
130.4642 19.65784
130.9463 18.68576
131.4284 18.36490
131.9105 19.06229
132.3926 19.54684
132.8748 18.36795
133.3569 16.09558
133.8390 14.29581
134.3211 13.97186
134.8032 14.52280
135.2853 14.72665
135.7674 14.60687
136.2496 14.70563
136.7317 15.11392
137.2138 15.60803
137.6959 16.13568
138.1780 16.72141
138.6601 17.17120
139.1423 17.38412
139.6244 17.51004
140.1065 17.43649
140.5886 16.61765
141.0707 15.29495
141.5528 14.17197
142.0350 14.13354
142.5171 15.90625
142.9992 17.10333
143.4813 17.86539
143.9634 18.23016
144.4455 18.12976
144.9277 17.55884
145.4098 16.60068
145.8919 15.35187
146.3740 13.46521
146.8561 11.96957
147.3382 10.86920
147.8204 10.21155
148.3025 10.14197
148.7846 10.79114
149.2667 11.75488
149.7488 12.16251
150.2309 11.92126
150.7131 11.64923
151.1952 11.49341
151.6773 11.47049
152.1594 11.68073
152.6415 12.29846
153.1236 13.44934
153.6058 14.30740
154.0879 14.85370
154.5700 15.16245
155.0521 15.39288
155.5342 15.56808
156.0163 15.21829
156.4985 13.62424
156.9806 11.71182
157.4627 10.20065
157.9448 9.276215
158.4269 8.652954
158.9090 7.865295
159.3912 6.910309
159.8733 6.263550
160.3554 6.193604
160.8375 6.292847
161.3196 6.209320
161.8017 5.790588
162.2839 5.135284
162.7660 4.519897
163.2481 3.765259
163.7302 3.320801
164.2123 3.704590
164.6944 4.293518
165.1766 4.190155
165.6587 2.818939
166.1408 0.5058290
166.6229 0.6190190
167.1050 0.6448060
167.5871 1.784058
168.0693 2.352570
168.5514 2.422333
169.0335 2.154755
169.5156 1.600647
169.9977 0.7977910
170.4798 0.4486080
170.9620 1.030487
171.4441 1.514771
171.9262 1.294189
172.4083 0.4962460
172.8904 0.2431030
173.3725 0.4440000
173.8547 0.1265870
174.3368 0.1099400
174.8189 0.3992160
175.3010 0.5159000
175.7831 0.1971890
176.2652 0.5794530
176.7474 1.432800
177.2295 2.161606
177.7116 2.752640
178.1937 3.115494
178.6758 3.065506
179.1579 2.838837
179.6401 2.844818
180.1222 3.199890
180.6043 3.433716
181.0864 3.050949
181.5685 2.369659
182.0506 1.907196
182.5328 1.969696
183.0149 2.412964
183.4970 2.826202
183.9791 3.297470
184.4612 3.569534
184.9433 3.471359
185.4255 3.137482
185.9076 2.803925
186.3897 2.635101
186.8718 2.609970
187.3539 2.487320
187.8360 2.117081
188.3182 1.804108
188.8003 1.777359
189.2824 1.881149
189.7645 1.802521
190.2466 1.269241
190.7287 0.2601470
191.2109 0.6925810
191.6930 1.509033
192.1751 2.337769
192.6572 3.237793
193.1393 4.194122
193.6214 5.161041
194.1036 6.096573
194.5857 6.999954
195.0678 7.893845
195.5499 9.001678
196.0320 9.910782
196.5141 10.08739
196.9963 9.742691
197.4784 9.763855
197.9605 11.05690
198.4426 13.85666
198.9247 16.21277
199.4068 17.91225
199.8890 19.38461
200.3711 20.85513
200.8532 22.35956
201.3353 23.89079
201.8174 25.39638
202.2995 26.88670
202.7817 28.70985
203.2638 31.15759
203.7459 33.78275
204.2280 36.14607
204.7101 38.20236
205.1922 40.19890
205.6744 42.20287
206.1565 44.30157
206.6386 46.96161
207.1207 50.92009
207.6028 55.24982
208.0849 58.54073
208.5671 60.48074
209.0492 62.24715
209.5313 64.75522
210.0134 67.79471
210.4955 71.00949
210.9776 74.16885
211.4598 77.43384
211.9419 81.24802
212.4240 85.80209
212.9061 90.49071
213.3882 94.96869
213.8703 99.30698
214.3525 103.6441
214.8346 108.0806
215.3167 112.5684
215.7988 116.7998
216.2809 120.4812
216.7630 124.3990
217.2451 128.8313
217.7273 133.6847
218.2094 138.8212
218.6915 144.1839
219.1736 149.7567
219.6557 155.4148
220.1378 161.2227
220.6200 167.0101
221.1021 172.8186
221.5842 178.5484
222.0663 184.1266
222.5484 189.5159
223.0305 194.6754
223.5127 199.2473
223.9948 202.5236
224.4769 205.7660
224.9590 209.4435
225.4411 213.3905
225.9232 217.2939
226.4054 220.9706
226.8875 224.4229
227.3696 228.0015
227.8517 232.6012
228.3338 236.3348
228.8159 238.3477
229.2981 239.2556
229.7802 240.1793
230.2623 241.8820
230.7444 244.2168
231.2265 245.5979
231.7086 244.9600
232.1908 244.6727
232.6729 245.8634
233.1550 247.8171
233.6371 249.1886
234.1192 249.1772
234.6013 247.8338
235.0835 245.4408
235.5656 241.2303
236.0477 237.0376
236.5298 233.5204
237.0119 230.4700
237.4940 227.4306
237.9762 224.2510
238.4583 220.7580
238.9404 216.0936
239.4225 210.5033
239.9046 203.8418
240.3867 195.4869
240.8689 185.9305
241.3510 176.4844
241.8331 167.8026
242.3152 159.6402
242.7973 151.1103
243.2794 141.7515
243.7616 132.8610
244.2437 125.3960
244.7258 118.9421
245.2079 112.2083
245.6900 104.4814
246.1721 96.45282
246.6543 89.40132
247.1364 83.45413
247.6185 77.99738
248.1006 72.87471
248.5827 68.07703
249.0648 63.36392
249.5470 58.54530
250.0291 53.89276
250.5112 49.78717
250.9933 46.24980
251.4754 42.93506
251.9576 39.46597
252.4397 35.99170
252.9218 33.11446
253.4039 31.22484
253.8860 29.74667
254.3681 27.95296
254.8503 25.83629
255.3324 23.93642
255.8145 22.83063
256.2966 22.32999
256.7787 21.34966
257.2608 19.26093
257.7430 17.22980
258.2251 16.19690
258.7072 16.07283
259.1893 16.26141
259.6714 16.34592
260.1535 16.40294
260.6357 16.92828
261.1178 18.36258
261.5999 19.74561
262.0820 20.35237
262.5641 20.39703
263.0462 20.54448
263.5284 21.42798
264.0105 22.86171
264.4926 23.68765
264.9747 23.44292
265.4568 23.22862
265.9389 23.43782
266.4211 24.06175
266.9032 25.09988
267.3853 26.71297
267.8674 28.72635
268.3495 30.37573
268.8316 31.46254
269.3138 32.45976
269.7959 33.48003
270.2780 34.55162
270.7601 35.73836
271.2422 37.11563
271.7243 38.58833
272.2065 39.75320
272.6886 40.15144
273.1707 41.04610
273.6528 43.03162
274.1349 45.52393
274.6170 47.81569
275.0992 49.57814
275.5813 51.06700
276.0634 53.00246
276.5455 56.01909
277.0276 58.25185
277.5097 58.86671
277.9919 58.94737
278.4740 59.53748
278.9561 61.01004
279.4382 62.88748
279.9203 64.31039
280.4024 65.19688
280.8846 65.74203
281.3667 66.12555
281.8488 66.15210
282.3309 65.70805
282.8130 64.75258
283.2951 63.26575
283.7773 61.12169
284.2594 57.96794
284.7415 55.02208
285.2236 52.39360
285.7057 49.88480
286.1878 47.40329
286.6700 44.93376
287.1521 42.47404
287.6342 40.02112
288.1163 37.62955
288.5984 35.09103
289.0805 31.88521
289.5627 29.00887
290.0448 27.07535
290.5269 25.95045
291.0090 25.05925
291.4911 23.90208
291.9732 22.47211
292.4554 20.90187
292.9375 18.81418
293.4196 16.95686
293.9017 15.50795
294.3838 14.48763
294.8659 13.92464
295.3481 13.89478
295.8302 14.34328
296.3123 14.50407
296.7944 14.13255
297.2765 13.70253
297.7586 13.30612
298.2408 12.90947
298.7229 12.39510
299.2050 11.68471
299.6871 10.92120
300.1692 10.66110
300.6513 11.43240
301.1335 12.09212
301.6156 12.73674
302.0977 13.15768
302.5798 12.96420
303.0619 12.08511
303.5440 10.99561
304.0262 10.80220
304.5083 12.66368
304.9904 13.65814
305.4725 13.10542
305.9546 12.21841
306.4367 11.92905
306.9189 12.43221
307.4010 13.31798
307.8831 14.08847
308.3652 14.84343
308.8473 15.18936
309.3294 14.72224
309.8116 14.26462
310.2937 14.28061
310.7758 14.79285
311.2579 15.60375
311.7400 16.56804
312.2221 17.75294
312.7043 18.68076
313.1864 19.11920
313.6685 19.52332
314.1506 20.02551
314.6327 20.69778
315.1148 21.56548
315.5970 22.60739
316.0791 23.82008
316.5612 25.37715
317.0433 28.36717
317.5254 30.40543
318.0075 30.28128
318.4897 29.10757
318.9718 28.47121
319.4539 29.14464
319.9360 30.76497
320.4181 32.35710
320.9002 34.31152
321.3824 35.77916
321.8645 36.65283
322.3466 37.07376
322.8287 36.96114
323.3108 36.35977
323.7929 35.77499
324.2751 36.11894
324.7572 38.27031
325.2393 39.47649
325.7214 39.20631
326.2035 38.59048
326.6856 38.25116
327.1678 38.34413
327.6499 38.83536
328.1320 39.77177
328.6141 41.37119
329.0962 42.25012
329.5783 41.73206
330.0605 41.24405
330.5426 41.47697
331.0247 42.27075
331.5068 43.12611
331.9889 43.72031
332.4710 44.02646
332.9532 43.65170
333.4353 41.65141
333.9174 39.96881
334.3995 39.12924
334.8816 38.79500
335.3637 38.56096
335.8459 38.24632
336.3280 37.74361
336.8101 36.68178
337.2922 34.25856
337.7743 32.46207
338.2564 32.03636
338.7386 31.91576
339.2206 31.09169
339.7028 29.30946
340.1849 27.14047
340.6670 25.46899
341.1491 24.59923
341.6312 23.48083
342.1133 21.63481
342.5955 19.97321
343.0776 19.10887
343.5597 18.97276
344.0418 19.04767
344.5239 18.90996
345.0060 18.56863
345.4882 17.85988
345.9703 16.08765
346.4524 14.61919
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347.4166 13.91087
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348.3809 13.47430
348.8630 12.88229
349.3451 12.54630
349.8272 12.81314
350.3093 12.77348
350.7914 11.95695
351.2736 10.92911
351.7557 10.36797
352.2378 10.49834
352.7199 10.79529
353.2020 10.23241
353.6841 8.299561
354.1663 7.075775
354.6484 7.484970
355.1305 8.111832
355.6126 8.315399
356.0947 7.960953
356.5768 7.077545
357.0590 5.333435
357.5411 2.665749
358.0232 1.083359
358.5053 1.712181
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359.9517 0.1861270
360.4338 1.587105
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362.3622 1.496590
362.8444 1.380676
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365.2549 3.054092
365.7371 2.742256
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367.1834 2.516609
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368.1476 2.709755
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371.5225 1.384674
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372.9688 2.970207
373.4509 3.283348
373.9330 3.321510
374.4152 2.921761
374.8973 2.006897
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375.8615 1.583305
376.3436 2.172386
376.8257 2.192009
377.3079 1.368721
377.7900 0.4558720
378.2721 2.5581000E-02
378.7542 0.1394960
379.2363 0.1516950
379.7184 0.1107100
380.2006 3.0602001E-02
380.6827 0.2031020
381.1648 0.6052170
381.6469 0.5792540
382.1290 0.4155810
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383.0933 2.854424
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384.5396 3.566643
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387.9144 6.024712
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388.8787 6.233063
389.3608 6.732124
389.8429 8.052567
390.3250 8.938469
390.8071 8.648926
391.2892 7.998466
391.7714 8.109566
392.2535 9.206604
392.7356 10.43665
393.2177 10.69913
393.6998 9.627411
394.1819 9.487305
394.6641 10.92074
395.1462 12.61904
395.6283 13.97301
396.1104 14.96769
396.5925 15.73457
397.0746 16.34537
397.5568 16.82829
398.0389 17.36436
398.5210 17.77103
399.0031 18.45625
399.4852 19.84709
399.9673 21.36870
400.4495 22.26786
400.9316 22.34937
401.4137 22.22713
401.8958 22.86996
402.3779 24.60390
402.8600 26.23495
403.3422 27.83757
403.8243 29.29729
404.3064 30.43362
404.7885 31.35555
405.2706 32.36938
405.7527 33.70703
406.2349 35.34042
406.7170 37.00538
407.1991 38.83881
407.6812 40.47912
408.1633 41.80257
408.6454 42.92570
409.1276 43.90977
409.6097 44.76813
410.0918 45.68763
410.5739 47.01988
411.0560 48.86006
411.5381 50.54395
412.0203 51.70757
412.5024 52.92064
412.9845 54.59636
413.4666 56.65312
413.9487 58.64468
414.4308 60.18153
414.9130 61.38466
415.3951 62.72588
415.8772 64.24978
416.3593 65.82491
416.8414 67.42708
417.3235 69.00804
417.8057 70.49809
418.2878 71.84007
418.7699 73.03175
419.2520 73.81973
419.7341 74.30681
420.2162 75.56719
420.6984 78.26751
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