#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:16:13 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1045 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100045.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_2100045
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 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            R050502.rod
_rod_data_source.block           3500000
_rod_database.code               2100045
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
119.3710 0.0000000E+00
119.8531 1.371414
120.3352 0.3869930
120.8173 0.3574980
121.2994 0.7424470
121.7815 2.671326
122.2637 5.447952
122.7458 9.480774
123.2279 13.85222
123.7100 17.34737
124.1921 19.46373
124.6742 21.93930
125.1564 26.32603
125.6385 32.35695
126.1206 39.30170
126.6027 46.72491
127.0848 54.66931
127.5669 63.35384
128.0491 73.13034
128.5312 82.94836
129.0133 91.12924
129.4954 97.73145
129.9775 104.1890
130.4596 112.0256
130.9418 120.6265
131.4239 127.9398
131.9060 133.4535
132.3881 137.5849
132.8702 141.0169
133.3523 143.7428
133.8345 146.1289
134.3166 148.5633
134.7987 151.0629
135.2808 152.9420
135.7629 153.7366
136.2450 153.8484
136.7272 155.4528
137.2093 158.9451
137.6914 162.8116
138.1735 165.3272
138.6556 166.1690
139.1377 167.2581
139.6199 169.1238
140.1020 171.7338
140.5841 174.2421
141.0662 176.3450
141.5483 178.7011
142.0304 182.3418
142.5126 187.9248
142.9947 193.0177
143.4768 195.5213
143.9589 194.3174
144.4410 192.5209
144.9231 189.6312
145.4053 186.4919
145.8874 184.4357
146.3695 184.3425
146.8516 184.0958
147.3337 183.1192
147.8158 181.4113
148.2980 179.0237
148.7801 175.4241
149.2622 171.2363
149.7443 167.7894
150.2264 165.8408
150.7085 163.8946
151.1907 161.4692
151.6728 158.2114
152.1549 155.0247
152.6370 151.8473
153.1191 148.7202
153.6012 145.8293
154.0834 144.7883
154.5655 142.9967
155.0476 139.1299
155.5297 130.4597
156.0118 122.7350
156.4939 117.5215
156.9761 114.2453
157.4582 110.6778
157.9403 105.5664
158.4224 100.1585
158.9045 95.13177
159.3866 90.28210
159.8688 86.29340
160.3509 83.76059
160.8330 82.43561
161.3151 81.17508
161.7972 79.61182
162.2793 77.93951
162.7615 76.30518
163.2436 74.58905
163.7257 73.06726
164.2078 71.86429
164.6899 70.95547
165.1720 70.19754
165.6541 69.77332
166.1363 69.36066
166.6184 68.64142
167.1005 67.06418
167.5826 65.49158
168.0647 64.54172
168.5468 64.16705
169.0290 63.75555
169.5111 63.12759
169.9932 62.19308
170.4753 60.82690
170.9574 58.43768
171.4395 55.96445
171.9217 54.33557
172.4038 53.55191
172.8859 52.72769
173.3680 51.22672
173.8501 49.22757
174.3322 47.01791
174.8144 44.38733
175.2965 41.74438
175.7786 39.65475
176.2607 38.11005
176.7428 36.87891
177.2249 35.44525
177.7071 34.20285
178.1892 32.79694
178.6713 31.08240
179.1534 29.08774
179.6355 26.66998
180.1176 23.72345
180.5998 21.02850
181.0819 19.58661
181.5640 19.12985
182.0461 18.67358
182.5282 17.82639
183.0103 16.64362
183.4925 15.13309
183.9746 13.22879
184.4567 11.35397
184.9388 10.25543
185.4209 9.774689
185.9030 8.995605
186.3852 7.171265
186.8673 4.657043
187.3494 2.670349
187.8315 1.332947
188.3136 0.3091430
188.7957 0.9259640
189.2779 2.336578
189.7600 3.581268
190.2421 4.563965
190.7242 5.256042
191.2063 5.393616
191.6884 4.839020
192.1706 4.049622
192.6527 3.672028
193.1348 3.715668
193.6169 4.014160
194.0990 4.709564
194.5811 5.747131
195.0633 6.236481
195.5454 6.070496
196.0275 5.493469
196.5096 4.939453
196.9917 4.415497
197.4738 3.809784
197.9560 3.121552
198.4381 2.354034
198.9202 1.123779
199.4023 0.8415220
199.8844 2.919281
200.3665 3.564301
200.8487 2.507751
201.3308 1.696350
201.8129 2.292603
202.2950 4.453552
202.7771 6.561584
203.2592 8.585632
203.7414 10.39182
204.2235 11.66675
204.7056 12.22382
205.1877 13.06049
205.6698 14.75589
206.1519 17.44202
206.6341 19.86133
207.1162 21.75610
207.5983 23.45886
208.0804 25.89276
208.5625 29.31262
209.0446 32.69226
209.5268 35.42355
210.0089 37.28949
210.4910 39.63629
210.9731 42.52930
211.4552 45.88501
211.9373 49.54666
212.4195 53.59265
212.9016 57.71066
213.3837 61.71417
213.8658 65.51480
214.3479 69.58707
214.8300 73.96088
215.3121 78.62323
215.7943 83.57349
216.2764 88.80646
216.7585 94.24326
217.2406 100.0073
217.7227 106.2920
218.2048 112.0684
218.6870 117.2542
219.1691 121.9430
219.6512 126.3604
220.1333 130.1599
220.6154 134.3520
221.0975 139.5760
221.5797 146.2591
222.0618 152.5583
222.5439 158.3304
223.0260 163.7819
223.5081 169.5539
223.9902 175.7864
224.4724 182.0627
224.9545 188.0735
225.4366 193.8184
225.9187 199.5534
226.4008 205.2066
226.8829 210.9423
227.3651 217.2578
227.8472 224.8693
228.3293 231.9802
228.8114 237.7472
229.2935 241.5233
229.7757 245.9149
230.2578 251.1776
230.7399 256.8723
231.2220 262.2620
231.7041 267.3556
232.1862 272.0383
232.6684 276.1566
233.1505 279.4044
233.6326 283.1350
234.1147 287.8769
234.5968 292.8191
235.0789 296.2929
235.5611 297.3997
236.0432 298.5142
236.5253 300.7608
237.0074 305.0159
237.4895 307.0364
237.9716 306.1310
238.4538 303.4231
238.9359 300.7690
239.4180 298.6940
239.9001 295.7867
240.3822 291.7733
240.8643 286.9042
241.3465 279.8794
241.8286 269.9044
242.3107 258.3331
242.7928 247.1148
243.2749 236.7764
243.7570 225.8609
244.2392 213.8136
244.7213 200.3319
245.2034 187.2402
245.6855 174.3716
246.1676 161.9261
246.6497 150.1624
247.1319 139.2440
247.6140 128.6715
248.0961 118.3528
248.5782 108.2605
249.0603 98.41318
249.5424 88.44522
250.0246 79.04114
250.5067 70.82483
250.9888 64.04776
251.4709 57.92590
251.9530 52.40060
252.4351 47.43900
252.9173 42.52539
253.3994 37.56784
253.8815 32.70374
254.3636 27.95090
254.8457 23.07266
255.3278 18.95825
255.8100 15.98914
256.2921 14.12173
256.7742 11.87366
257.2563 8.910126
257.7384 5.963165
258.2205 3.797821
258.7026 2.746216
259.1848 1.571503
259.6669 7.6018997E-02
260.1490 2.077423
260.6311 3.187012
261.1132 3.025757
261.5953 2.582184
262.0775 2.638702
262.5596 3.484406
263.0417 3.993835
263.5238 4.056976
264.0059 3.691833
264.4880 2.926239
264.9702 1.586365
265.4523 0.1966250
265.9344 0.9821170
266.4165 2.039032
266.8986 2.516663
267.3807 2.154846
267.8629 1.268768
268.3450 0.8842470
268.8271 1.091400
269.3092 1.564789
269.7913 2.204651
270.2734 3.094299
270.7556 3.704346
271.2377 3.832520
271.7198 3.827515
272.2019 4.617371
272.6840 6.454590
273.1661 8.239685
273.6483 9.186707
274.1304 9.055237
274.6125 10.11868
275.0946 12.65698
275.5767 16.05548
276.0588 19.18219
276.5410 21.89621
277.0231 24.98282
277.5052 28.46658
277.9873 32.33215
278.4694 38.12448
278.9515 46.50333
279.4337 55.38034
279.9158 61.75015
280.3979 65.42354
280.8800 68.33957
281.3621 70.81842
281.8442 72.96988
282.3264 76.07219
282.8085 80.47314
283.2906 84.65094
283.7727 86.86426
284.2548 87.10934
284.7369 86.35382
285.2191 84.73306
285.7012 82.35681
286.1833 79.50412
286.6654 76.14999
287.1475 72.48068
287.6296 68.57785
288.1118 64.46121
288.5939 60.53706
289.0760 56.84592
289.5581 53.44370
290.0402 50.45779
290.5223 47.88280
291.0045 45.39792
291.4866 42.66803
291.9687 39.76276
292.4508 36.95842
292.9329 34.16736
293.4150 31.70554
293.8972 30.24326
294.3793 29.69991
294.8614 29.10089
295.3435 27.67157
295.8256 25.69035
296.3077 23.90196
296.7899 22.40022
297.2720 21.17029
297.7541 20.53444
298.2362 20.31422
298.7183 19.67184
299.2004 17.51077
299.6826 14.75111
300.1647 13.25604
300.6468 13.33389
301.1289 13.64766
301.6110 12.53146
302.0931 10.51663
302.5753 8.958832
303.0574 9.035034
303.5395 9.698669
304.0216 9.465317
304.5037 8.276077
304.9858 7.115448
305.4680 7.071869
305.9501 7.586029
306.4322 7.694916
306.9143 6.603149
307.3964 5.292709
307.8785 4.778900
308.3607 4.987915
308.8428 5.114517
309.3249 4.381210
309.8070 3.347855
310.2891 2.666183
310.7712 2.613281
311.2534 2.859100
311.7355 3.404480
312.2176 4.139633
312.6997 4.557663
313.1818 3.978851
313.6639 3.236145
314.1461 2.979202
314.6282 3.344910
315.1103 4.132538
315.5924 5.765869
316.0745 7.792526
316.5566 9.282532
317.0388 9.283142
317.5209 8.906586
318.0030 8.738663
318.4851 8.941940
318.9672 9.203506
319.4493 9.464676
319.9315 9.720673
320.4136 9.929916
320.8957 10.30310
321.3778 10.48549
321.8599 10.18263
322.3420 9.337830
322.8242 9.015732
323.3063 9.959457
323.7884 11.25531
324.2705 12.10005
324.7526 11.59271
325.2347 11.38228
325.7169 12.05621
326.1990 13.54301
326.6811 14.60703
327.1632 14.47165
327.6453 14.32976
328.1274 14.84526
328.6096 16.80275
329.0917 18.50273
329.5738 19.68599
330.0559 20.49234
330.5380 21.56223
331.0201 23.53214
331.5023 25.19647
331.9844 25.94156
332.4665 24.99785
332.9486 24.94049
333.4307 26.10768
333.9128 27.95897
334.3950 29.62358
334.8771 31.05634
335.3592 32.45042
335.8413 33.85176
336.3234 35.25575
336.8055 36.63051
337.2877 38.02209
337.7698 39.31862
338.2519 40.30180
338.7340 40.80251
339.2161 41.67392
339.6982 43.24068
340.1803 45.35904
340.6624 47.03520
341.1446 48.21391
341.6267 49.12386
342.1088 49.83279
342.5909 50.33417
343.0730 51.32393
343.5551 53.12672
344.0373 55.19218
344.5194 55.99213
345.0015 55.43661
345.4836 54.90340
345.9657 55.33899
346.4478 56.57927
346.9300 57.66698
347.4121 58.53212
347.8942 59.29836
348.3763 60.12802
348.8584 61.01703
349.3405 61.92079
349.8227 62.94849
350.3048 63.93947
350.7869 64.52226
351.2690 64.69620
351.7511 64.70422
352.2332 64.61667
352.7154 64.54108
353.1975 64.74899
353.6796 65.65486
354.1617 66.53258
354.6438 66.50226
355.1259 65.67027
355.6081 64.61060
356.0902 63.91714
356.5723 63.07423
357.0544 61.48601
357.5365 59.02548
358.0186 55.88829
358.5008 51.85141
358.9829 47.22278
359.4650 42.67918
359.9471 38.45879
360.4292 34.49130
360.9113 30.81041
361.3935 27.51009
361.8756 24.06860
362.3577 19.68134
362.8398 15.26303
363.3219 11.84338
363.8040 10.46214
364.2862 9.387466
364.7683 8.053360
365.2504 6.462875
365.7325 5.110291
366.2146 4.072617
366.6967 3.301163
367.1789 2.765579
367.6610 2.999710
368.1431 2.819931
368.6252 1.760025
369.1073 0.1780700
369.5894 0.7783510
370.0716 0.6671600
370.5537 0.4063720
371.0358 0.3344730
371.5179 0.5881650
372.0000 0.6048130
372.4821 0.1043850
372.9643 0.4549100
373.4464 0.3700260
373.9285 0.7932430
374.4106 1.680420
374.8927 1.950851
375.3748 1.623734
375.8570 1.174850
376.3391 0.5334470
376.8212 8.3649002E-02
377.3033 0.4818570
377.7854 0.6312260
378.2675 0.7983700
378.7497 1.093460
379.2318 1.359314
379.7139 1.083740
380.1960 0.2220760
380.6781 0.6003880
381.1602 0.9956510
381.6424 1.015961
382.1245 0.9488070
382.6066 0.7748570
383.0887 0.6474300
383.5708 0.8585510
384.0529 1.325134
384.5351 1.659546
385.0172 1.586349
385.4993 1.335098
385.9814 1.414429
386.4635 1.800888
386.9456 2.012695
387.4278 1.347961
387.9099 0.3165440
388.3920 0.2177890
388.8741 0.1864010
389.3562 0.7677150
389.8383 0.9474640
390.3205 0.7825930
390.8026 0.4242860
391.2847 0.3532100
391.7668 1.093582
392.2489 1.375290
392.7310 1.052231
393.2132 0.7768100
393.6953 0.9408570
394.1774 1.309357
394.6595 1.600830
395.1416 1.713150
395.6237 1.748352
396.1059 1.746338
396.5880 1.706299
397.0701 1.585754
397.5522 1.158859
398.0343 0.7965700
398.5164 0.7248990
398.9986 1.482239
399.4807 1.855164
399.9628 1.606613
400.4449 0.9682770
400.9270 0.4456330
401.4091 0.1516110
401.8913 0.3737950
402.3734 5.2765001E-02
402.8555 1.320251
403.3376 2.129761
403.8197 2.328735
404.3018 2.246628
404.7840 2.231796
405.2661 2.321915
405.7482 2.325058
406.2303 2.125458
406.7124 1.825684
407.1945 1.907562
407.6767 2.424133
408.1588 3.050156
408.6409 3.597000
409.1230 4.062042
409.6051 4.458939
410.0872 4.772278
410.5694 5.077591
411.0515 5.516083
411.5336 6.064224
412.0157 6.552643
412.4978 6.772141
412.9799 6.924271
413.4621 7.552032
413.9442 8.651260
414.4263 9.607437
414.9084 9.691467
415.3905 9.362640
415.8727 9.410767
416.3548 10.25172
416.8369 11.17970
417.3190 11.37450
417.8011 11.15269
418.2832 11.36987
418.7654 12.57941
419.2475 14.28244
419.7296 16.39320
420.2117 19.10429
420.6938 21.01740
421.1759 20.46091
421.6581 19.26913
422.1402 19.38258
422.6223 23.20894
423.1044 26.32205
423.5865 27.10088
424.0686 25.88292
424.5508 25.45668
425.0329 26.86159
425.5150 28.49155
425.9971 29.57159
426.4792 29.55092
426.9613 30.05034
427.4435 31.31972
427.9256 33.01654
428.4077 34.49353
428.8898 35.66461
429.3719 36.79906
429.8540 37.94217
430.3362 39.13612
430.8183 40.75053
431.3004 42.88802
431.7825 44.94241
432.2646 46.36113
432.7467 47.17160
433.2289 48.32388
433.7110 49.99890
434.1931 51.93169
434.6752 53.74376
435.1573 55.38622
435.6394 56.60115
436.1216 57.09070
436.6036 57.09569
437.0858 57.09787
437.5679 57.09566
438.0500 57.04663
438.5321 57.25056
439.0142 57.33090
439.4963 56.58379
439.9785 54.43864
440.4606 51.91299
440.9427 49.88466
441.4248 48.13925
441.9069 46.09941
442.3890 43.23543
442.8712 40.21741
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