#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:28:45 +0300 (Thu, 26 Apr 2018) $
#$Revision: 479 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000036.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_1000036
loop_
_publ_author_name
'Morgenstern-Badarau I'
_publ_section_title
;
 Effet Jahn-Teller et structure cristalline de l'hydroxyde CuSn(OH)6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              399
_journal_page_last               406
_journal_paper_doi               10.1016/S0022-4596(76)80010-2
_journal_volume                  17
_journal_year                    1976
_chemical_compound_source        R060153
_chemical_formula_sum            'Cu H6 O6 Sn'
_chemical_name_mineral           Mushistonite
_space_group_IT_number           134
_symmetry_space_group_name_Hall  '-P 4ac 2bc'
_symmetry_space_group_name_H-M   'P 42/n n m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.586
_cell_length_b                   7.586
_cell_length_c                   8.103
_cell_volume                     466.307
_exptl_crystal_density_diffrn    4.050
_cod_original_sg_symbol_H-M      'P 42/n n m'
_cod_original_formula_sum        'Cu Sn (O6 H6)'
_cod_database_code               9009750
_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            R060153.rod
_rod_data_source.block           3500000
_rod_database.code               1000036
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 9009750 COD http://www.crystallography.net/cod/9009750.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
94.45264 0.0000000E+00
94.93475 0.9831540
95.41687 0.2078860
95.89898 8.3861999E-02
96.38110 2.190918
96.86321 5.926880
97.34533 9.422363
97.82745 8.748291
98.30956 7.811890
98.79168 7.419189
99.27380 6.882446
99.75591 5.422363
100.2380 3.547974
100.7201 1.898438
101.2023 1.443115
101.6844 2.355225
102.1665 3.289795
102.6486 2.954102
103.1307 3.179321
103.6128 5.849976
104.0950 11.06104
104.5771 17.07324
105.0592 21.85413
105.5413 26.13757
106.0234 31.31506
106.5055 37.90320
106.9877 45.79895
107.4698 54.63123
107.9519 64.99719
108.4340 75.62939
108.9161 86.12158
109.3982 96.56641
109.8804 107.0278
110.3625 117.3129
110.8446 126.9987
111.3267 138.1038
111.8088 150.2789
112.2909 163.7323
112.7731 178.8245
113.2552 195.4535
113.7373 213.1301
114.2194 231.0850
114.7015 249.1443
115.1836 268.1674
115.6658 288.9681
116.1479 310.3253
116.6300 330.9344
117.1121 350.3276
117.5942 369.1854
118.0763 389.3019
118.5584 411.8425
119.0406 434.3325
119.5227 456.3801
120.0048 477.7236
120.4869 497.8174
120.9690 515.4862
121.4511 532.1467
121.9333 551.1498
122.4154 574.4266
122.8975 599.1165
123.3796 621.4529
123.8617 639.7458
124.3438 655.9075
124.8260 671.1440
125.3081 684.0474
125.7902 693.3289
126.2723 697.7980
126.7544 698.6062
127.2365 698.6957
127.7187 698.8271
128.2008 696.0123
128.6829 689.6584
129.1650 680.5439
129.6471 669.5330
130.1292 656.9565
130.6114 642.7830
131.0935 627.5186
131.5756 611.9089
132.0577 594.5776
132.5398 574.7772
133.0219 552.9390
133.5041 530.1616
133.9862 507.2679
134.4683 484.1691
134.9504 460.5977
135.4325 436.1477
135.9146 411.6669
136.3968 387.6279
136.8789 364.1220
137.3610 341.0058
137.8431 318.3132
138.3252 295.8207
138.8073 274.8784
139.2895 256.1864
139.7716 238.7251
140.2537 221.3120
140.7358 203.8004
141.2179 186.4606
141.7000 169.7603
142.1821 153.6521
142.6643 138.1104
143.1464 122.6643
143.6285 107.6746
144.1106 94.42029
144.5927 83.85498
145.0748 74.57654
145.5570 64.97833
146.0391 55.10217
146.5212 45.77539
147.0033 37.66235
147.4854 30.80139
147.9675 24.91046
148.4497 20.77600
148.9318 16.96429
149.4139 12.73773
149.8960 7.982422
150.3781 2.949158
150.8602 1.928955
151.3424 6.888245
151.8245 11.27698
152.3066 12.14874
152.7887 12.58606
153.2708 12.73157
153.7529 12.58771
154.2351 12.15668
154.7172 11.40668
155.1993 9.721741
155.6814 8.427246
156.1635 7.884155
156.6456 7.685059
157.1278 7.280029
157.6099 6.388550
158.0920 5.163940
158.5741 4.256348
159.0562 3.939148
159.5383 3.590881
160.0205 3.217041
160.5026 2.724365
160.9847 1.836304
161.4668 0.2742920
161.9489 1.817078
162.4310 3.699280
162.9131 5.468201
163.3953 6.973328
163.8774 8.023987
164.3595 8.665405
164.8416 9.308411
165.3237 10.00775
165.8058 10.93469
166.2880 12.44196
166.7701 14.99323
167.2522 17.78876
167.7343 19.84540
168.2164 21.00940
168.6985 22.18585
169.1807 24.03308
169.6628 26.19086
170.1449 28.24054
170.6270 30.05164
171.1091 31.66138
171.5912 33.12781
172.0734 34.37933
172.5555 35.60754
173.0376 36.74823
173.5197 37.91821
174.0018 39.32800
174.4839 41.22955
174.9661 43.46515
175.4482 45.05267
175.9303 45.22229
176.4124 45.57837
176.8945 46.37054
177.3766 47.65808
177.8588 49.59625
178.3409 52.42700
178.8230 56.16229
179.3051 58.87927
179.7872 59.56592
180.2693 60.22552
180.7515 61.63373
181.2336 63.53979
181.7157 65.19733
182.1978 65.93121
182.6799 65.62201
183.1620 65.54688
183.6441 65.35028
184.1263 65.60559
184.6084 66.95447
185.0905 69.20557
185.5726 71.38837
186.0547 72.57397
186.5368 72.59174
187.0190 72.89655
187.5011 73.75000
187.9832 74.70996
188.4653 75.49011
188.9474 76.06250
189.4296 76.47491
189.9117 76.66675
190.3938 76.66766
190.8759 76.98590
191.3580 77.93884
191.8401 79.12683
192.3223 80.17480
192.8044 81.06805
193.2865 81.67053
193.7686 81.37714
194.2507 80.53491
194.7328 80.40253
195.2150 81.96814
195.6971 84.39972
196.1792 85.98053
196.6613 86.29120
197.1434 86.35553
197.6255 86.84082
198.1077 87.66406
198.5898 88.68677
199.0719 90.27020
199.5540 92.06403
200.0361 92.56665
200.5182 90.80951
201.0004 89.03998
201.4825 88.43414
201.9646 88.76086
202.4467 89.44568
202.9288 90.30518
203.4109 91.26709
203.8930 91.58441
204.3752 90.66663
204.8573 89.69214
205.3394 89.37677
205.8215 89.41541
206.3036 89.02875
206.7857 87.37177
207.2679 84.31140
207.7500 81.97198
208.2321 80.82690
208.7142 79.84595
209.1963 79.09277
209.6784 78.33453
210.1606 77.21417
210.6427 75.18726
211.1248 72.11993
211.6069 69.56494
212.0890 67.91241
212.5711 66.40649
213.0533 64.84766
213.5354 63.19830
214.0175 61.51666
214.4996 59.89758
214.9817 58.40405
215.4638 56.62408
215.9460 54.15271
216.4281 51.84589
216.9102 50.21204
217.3923 49.17719
217.8744 48.22083
218.3565 46.85718
218.8387 45.03741
219.3208 43.56213
219.8029 42.96851
220.2850 42.27423
220.7671 40.65985
221.2492 38.18481
221.7314 35.71545
222.2135 33.97906
222.6956 33.05499
223.1777 32.24298
223.6598 31.56763
224.1419 31.00037
224.6240 30.60901
225.1062 30.37933
225.5883 30.05988
226.0704 29.38794
226.5525 28.41394
227.0346 27.59668
227.5167 27.47491
227.9989 27.20807
228.4810 25.60822
228.9631 22.56897
229.4452 19.97650
229.9273 19.72693
230.4094 21.01215
230.8916 21.55554
231.3737 20.42706
231.8558 18.70740
232.3379 17.53638
232.8200 16.94305
233.3021 16.71448
233.7843 17.06976
234.2664 17.63800
234.7485 17.82617
235.2306 17.33118
235.7127 16.53424
236.1948 15.99066
236.6770 15.78662
237.1591 15.44592
237.6412 14.42072
238.1233 13.20612
238.6054 12.40778
239.0875 12.36536
239.5697 12.59912
240.0518 12.20428
240.5339 10.85687
241.0160 9.922607
241.4981 10.55646
241.9802 11.58325
242.4624 11.77362
242.9445 10.56665
243.4266 8.811890
243.9087 7.996338
244.3908 8.419250
244.8729 8.966797
245.3550 9.533752
245.8372 9.979858
246.3193 10.15967
246.8014 10.01904
247.2835 9.646790
247.7656 9.181458
248.2477 8.586609
248.7299 7.974976
249.2120 7.165039
249.6941 6.466675
250.1762 6.232727
250.6583 6.553467
251.1404 7.041931
251.6226 7.083374
252.1047 6.644653
252.5868 5.777954
253.0689 3.762268
253.5510 1.878662
254.0331 1.196350
254.5153 1.915771
254.9974 3.239990
255.4795 3.972839
255.9616 3.848877
256.4437 3.672424
256.9258 3.356384
257.4080 3.088867
257.8901 3.024292
258.3722 3.163940
258.8543 3.364990
259.3364 3.401062
259.8185 3.045410
260.3007 3.147949
260.7828 4.125305
261.2649 5.148804
261.7470 5.561829
262.2291 5.379517
262.7112 5.200195
263.1934 5.762024
263.6755 7.371887
264.1576 8.618835
264.6397 9.319702
265.1218 9.869141
265.6039 10.39264
266.0861 10.95380
266.5682 11.63849
267.0503 12.54126
267.5324 13.69263
268.0145 14.88184
268.4966 16.13849
268.9788 17.38934
269.4609 18.58917
269.9430 19.75012
270.4251 20.90680
270.9072 22.08185
271.3893 23.26349
271.8715 24.53809
272.3536 25.69281
272.8357 27.11926
273.3178 29.15784
273.7999 31.62390
274.2820 34.02167
274.7642 36.01422
275.2463 37.63971
275.7284 39.28241
276.2105 40.66046
276.6926 42.34216
277.1747 44.79510
277.6568 47.71606
278.1389 50.40369
278.6211 52.45801
279.1032 54.00909
279.5853 55.63434
280.0674 56.91827
280.5495 58.74377
281.0316 61.82001
281.5138 65.53430
281.9959 68.75848
282.4780 70.96594
282.9601 72.55353
283.4422 74.48083
283.9243 76.95209
284.4065 79.33765
284.8886 81.25629
285.3707 83.08447
285.8528 85.46442
286.3349 88.65161
286.8170 92.15063
287.2992 95.16522
287.7813 97.60437
288.2634 99.94366
288.7455 102.1387
289.2276 104.2897
289.7097 106.5452
290.1919 108.9481
290.6740 111.3204
291.1561 113.3779
291.6382 115.0286
292.1203 117.0971
292.6024 120.1888
293.0846 123.4286
293.5667 126.0029
294.0488 127.8133
294.5309 129.0959
295.0130 129.9073
295.4951 130.2460
295.9773 130.9188
296.4594 132.2385
296.9415 133.6916
297.4236 135.0427
297.9057 136.2318
298.3878 136.9427
298.8700 136.7839
299.3521 135.9053
299.8342 135.4502
300.3163 136.1047
300.7984 136.5564
301.2805 136.0156
301.7627 134.5899
302.2448 132.8097
302.7269 130.9559
303.2090 128.8924
303.6911 126.1907
304.1732 122.1069
304.6554 118.6143
305.1375 117.2161
305.6196 117.1273
306.1017 116.3229
306.5838 114.0306
307.0659 110.7013
307.5481 106.9915
308.0302 102.6537
308.5123 98.89081
308.9944 96.43634
309.4765 94.74530
309.9586 93.05573
310.4408 91.26306
310.9229 89.08386
311.4050 85.81903
311.8871 81.38580
312.3692 77.67212
312.8513 75.47662
313.3335 73.99335
313.8156 72.19855
314.2977 69.93597
314.7798 67.79504
315.2619 66.53113
315.7440 66.03308
316.2262 64.77466
316.7083 61.92609
317.1904 58.76965
317.6725 56.39728
318.1546 54.79645
318.6367 53.28943
319.1188 51.29346
319.6010 49.06537
320.0831 47.64722
320.5652 47.70770
321.0473 47.87744
321.5294 47.54761
322.0115 46.74908
322.4937 45.49884
322.9758 43.71344
323.4579 41.57458
323.9400 39.57306
324.4221 37.53168
324.9042 36.01929
325.3864 35.44604
325.8685 35.43268
326.3506 35.33014
326.8327 34.94318
327.3148 34.45190
327.7969 34.11255
328.2791 33.93024
328.7612 33.88177
329.2433 34.21228
329.7254 34.56409
330.2075 34.46790
330.6896 33.83887
331.1718 33.01526
331.6539 32.26495
332.1360 31.58588
332.6181 31.07190
333.1002 30.70374
333.5823 30.56012
334.0645 30.73358
334.5466 31.22131
335.0287 31.92920
335.5108 32.88641
335.9929 33.97919
336.4750 34.51666
336.9572 34.08289
337.4393 33.51300
337.9214 33.11609
338.4035 32.89404
338.8856 32.82745
339.3677 32.91895
339.8499 33.06653
340.3320 32.99713
340.8141 32.41406
341.2962 32.26031
341.7783 33.10291
342.2604 34.23657
342.7426 34.76007
343.2247 34.43939
343.7068 33.76355
344.1889 33.39508
344.6710 33.49561
345.1531 33.47406
345.6353 33.36005
346.1174 33.11139
346.5995 32.63171
347.0816 31.95709
347.5637 31.26599
348.0458 30.72650
348.5280 30.32147
349.0101 29.92847
349.4922 29.53394
349.9743 29.17493
350.4564 28.80896
350.9385 28.51294
351.4207 28.49402
351.9028 28.91754
352.3849 29.59338
352.8670 29.61041
353.3491 28.13977
353.8312 27.11475
354.3134 27.45197
354.7955 28.13251
355.2776 27.58411
355.7597 25.26123
356.2418 22.41907
356.7239 21.29504
357.2061 23.26587
357.6882 24.35626
358.1703 24.05530
358.6524 23.30658
359.1345 22.68988
359.6166 22.30597
360.0987 22.01001
360.5808 21.63257
361.0630 21.13672
361.5451 20.67413
362.0272 20.29102
362.5093 19.85931
362.9914 19.44598
363.4735 18.99182
363.9557 18.37946
364.4378 17.51813
364.9199 16.45398
365.4020 15.39368
365.8841 14.20618
366.3662 13.22339
366.8484 12.62360
367.3305 12.25073
367.8126 11.87469
368.2947 11.39557
368.7768 10.89490
369.2589 10.56049
369.7411 10.55652
370.2232 10.37695
370.7053 10.25092
371.1874 9.749634
371.6695 8.184448
372.1516 5.843201
372.6338 3.843018
373.1159 3.323608
373.5980 4.243286
374.0801 4.791870
374.5622 4.979004
375.0443 4.738525
375.5265 3.625061
376.0086 2.146790
376.4907 1.152710
376.9728 1.115906
377.4549 1.579834
377.9370 1.453064
378.4192 0.4924930
378.9013 0.3434450
379.3834 0.8521730
379.8655 1.107056
380.3476 0.9721680
380.8297 0.4381100
381.3119 0.1041260
381.7940 0.8792110
382.2761 2.714966
382.7582 3.757690
383.2403 3.344666
383.7224 2.542480
384.2046 1.967712
384.6867 1.623291
385.1688 1.496704
385.6509 1.667480
386.1330 2.027893
386.6151 2.361084
387.0973 2.700378
387.5794 2.954956
388.0615 3.090393
388.5436 3.087708
389.0257 2.875122
389.5078 2.315765
389.9900 1.779022
390.4721 1.576233
390.9542 1.688934
391.4363 2.006256
391.9184 2.611816
392.4005 3.251495
392.8827 3.639191
393.3648 3.799408
393.8469 3.620819
394.3290 2.718384
394.8111 1.552734
395.2932 0.9084170
395.7754 0.9273380
396.2575 1.111115
396.7396 1.003021
397.2217 0.6420290
397.7038 0.5158690
398.1859 1.114777
398.6681 1.547180
399.1501 1.051605
399.6323 0.1524960
400.1144 1.205902
400.5965 1.624603
401.0786 1.701752
401.5607 2.348541
402.0428 4.152069
402.5250 5.405731
403.0071 5.657043
403.4892 5.273682
403.9713 4.474213
404.4534 3.366730
404.9355 2.369781
405.4177 2.009949
405.8998 2.456635
406.3819 2.761902
406.8640 2.913452
407.3461 2.959320
407.8282 2.669220
408.3104 2.281494
408.7925 2.482239
409.2746 3.800446
409.7567 5.790771
410.2388 6.394592
410.7209 4.329620
411.2031 2.452362
411.6852 0.5982060
412.1673 0.7562870
412.6494 0.9002690
413.1315 0.2302250
413.6136 1.697845
414.0958 2.205170
414.5779 1.458008
415.0600 0.9276120
415.5421 0.9115910
416.0242 0.8459170
416.5063 0.4090270
416.9885 0.2623900
417.4706 0.8064880
417.9527 1.004974
418.4348 0.9051820
418.9169 0.6174010
419.3990 6.6344999E-02
419.8812 0.4729000
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