#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:20:41 +0300 (Thu, 24 May 2018) $
#$Revision: 658 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100014.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_8100014
loop_
_publ_author_name
'Chevrier, G.'
'Giester, G.'
'Zemann, J.'
_publ_section_title
;
 Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2:
 Variation of the hydrogen bond system in the natrochalcite-type series
 Locality: synthetic
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              7
_journal_page_last               14
_journal_volume                  206
_journal_year                    1993
_chemical_compound_source        R050152
_chemical_formula_structural     RbCu2(SO4)2(OH)(H2O)
_chemical_formula_sum            'Cu2 H3 O10 Rb S2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.11
_cell_angle_gamma                90
_cell_length_a                   9.246
_cell_length_b                   6.483
_cell_length_c                   7.940
_cell_volume                     427.369
_exptl_crystal_density_diffrn    3.417
_cod_original_formula_sum        'Rb Cu2 S2 O10 H3'
_cod_database_code               9008429
_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            R050152.rod
_rod_data_source.block           3500000
_rod_database.code               8100014
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 9008429 COD http://www.crystallography.net/cod/9008429.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
122.3296 0.0000000E+00
122.8118 0.3735660
123.2939 1.239532
123.7760 10.80872
124.2581 24.89995
124.7402 38.95650
125.2223 51.71696
125.7045 62.39540
126.1866 69.37033
126.6687 72.04884
127.1508 73.95081
127.6329 78.61673
128.1150 85.31635
128.5972 91.99420
129.0793 99.19893
129.5614 105.6255
130.0435 107.4610
130.5256 103.1696
131.0077 96.82858
131.4899 94.25528
131.9720 95.16861
132.4541 97.56497
132.9362 98.61945
133.4183 98.62259
133.9004 101.6547
134.3826 108.1164
134.8647 117.7984
135.3468 130.0195
135.8289 146.0046
136.3110 164.6158
136.7931 186.2970
137.2753 213.8299
137.7574 239.5153
138.2395 264.9227
138.7216 287.7955
139.2037 294.0875
139.6858 284.1120
140.1680 263.5085
140.6501 234.1323
141.1322 192.4293
141.6143 154.1674
142.0964 122.2534
142.5785 96.60101
143.0607 75.41614
143.5428 58.98753
144.0249 46.30260
144.5070 36.00426
144.9891 28.60089
145.4712 22.65604
145.9534 18.05685
146.4355 15.01512
146.9176 12.13937
147.3997 9.450165
147.8818 6.904297
148.3639 4.306396
148.8461 0.8473360
149.3282 1.714432
149.8103 2.575699
150.2924 0.2438810
150.7745 0.8014830
151.2566 0.2884670
151.7388 2.704575
152.2209 4.302917
152.7030 4.378387
153.1851 4.226807
153.6672 4.356155
154.1493 5.566864
154.6315 6.015976
155.1136 4.965881
155.5957 2.921005
156.0778 1.715836
156.5599 2.415359
157.0420 3.429123
157.5242 3.905502
158.0063 3.657669
158.4884 2.931427
158.9705 1.669861
159.4526 7.8856997E-02
159.9347 2.055313
160.4169 4.523849
160.8990 7.015381
161.3811 9.191666
161.8632 10.18102
162.3453 11.58070
162.8274 14.19133
163.3096 17.92166
163.7917 21.50598
164.2738 25.05051
164.7559 27.97191
165.2380 29.69550
165.7201 28.49107
166.2023 27.29390
166.6844 27.53722
167.1665 29.26279
167.6486 31.83395
168.1307 36.08415
168.6128 40.71738
169.0949 44.03641
169.5771 43.77849
170.0592 43.00246
170.5413 44.30740
171.0234 47.98450
171.5055 51.56969
171.9876 52.42722
172.4698 52.05643
172.9519 53.12836
173.4340 57.59848
173.9161 63.77968
174.3982 70.01303
174.8803 76.18092
175.3625 82.59612
175.8446 88.70924
176.3267 95.13351
176.8088 103.3211
177.2909 114.7882
177.7730 128.2532
178.2552 141.8836
178.7373 155.5246
179.2194 169.6796
179.7015 186.8522
180.1836 205.9884
180.6657 222.0750
181.1479 234.8285
181.6300 242.4905
182.1121 240.6123
182.5942 227.4733
183.0763 208.0530
183.5584 186.1457
184.0406 162.2476
184.5227 140.4714
185.0048 122.7055
185.4869 108.9238
185.9690 98.81871
186.4511 92.94614
186.9333 89.83751
187.4154 87.26982
187.8975 85.24255
188.3796 84.20901
188.8617 84.25650
189.3438 85.47952
189.8260 88.49458
190.3081 93.85004
190.7902 100.5245
191.2723 106.2621
191.7544 111.0256
192.2365 116.1202
192.7187 122.6207
193.2008 130.4252
193.6829 138.7263
194.1650 147.5364
194.6471 156.7943
195.1292 166.2848
195.6114 176.0278
196.0935 185.9021
196.5756 195.8695
197.0577 205.9283
197.5398 215.3903
198.0219 223.8303
198.5041 231.7505
198.9862 240.4077
199.4683 249.8371
199.9504 259.9758
200.4325 270.6829
200.9146 281.8727
201.3968 294.1674
201.8789 307.9280
202.3610 322.7963
202.8431 336.8077
203.3252 349.4283
203.8073 362.4739
204.2895 377.6384
204.7716 395.1290
205.2537 413.0689
205.7358 430.5241
206.2179 447.9788
206.7000 469.2393
207.1822 494.7661
207.6643 522.3845
208.1464 550.3827
208.6285 578.7711
209.1106 607.0186
209.5927 635.2330
210.0749 663.3478
210.5570 690.6685
211.0391 718.2239
211.5212 742.6026
212.0033 761.2533
212.4854 774.7330
212.9676 780.7236
213.4497 778.4933
213.9318 768.0135
214.4139 751.1451
214.8960 726.9584
215.3781 697.6224
215.8603 664.1797
216.3424 625.8188
216.8245 586.7732
217.3066 547.2134
217.7887 506.9418
218.2708 470.2781
218.7529 437.8206
219.2351 407.5094
219.7172 377.7915
220.1993 347.4799
220.6814 319.7642
221.1635 295.7628
221.6456 275.2960
222.1278 256.6031
222.6099 239.7484
223.0920 224.2663
223.5741 210.1538
224.0562 197.4659
224.5383 185.5198
225.0205 174.0045
225.5026 163.0050
225.9847 152.9820
226.4668 144.3817
226.9489 136.3299
227.4310 128.0936
227.9132 119.0680
228.3953 110.8529
228.8774 103.8845
229.3595 98.13239
229.8416 92.68300
230.3237 87.41672
230.8059 82.51025
231.2880 78.19444
231.7701 74.84880
232.2522 71.32320
232.7343 67.29279
233.2164 62.68951
233.6986 58.53212
234.1807 54.73814
234.6628 51.46675
235.1449 49.04503
235.6270 48.14546
236.1091 46.80956
236.5913 44.49602
237.0734 41.18198
237.5555 38.25714
238.0376 35.73514
238.5197 33.58304
239.0018 31.88876
239.4840 31.09698
239.9661 29.87141
240.4482 27.63976
240.9303 24.42030
241.4124 22.56464
241.8945 22.91330
242.3767 23.73489
242.8588 23.43654
243.3409 21.30988
243.8230 19.41388
244.3051 18.13518
244.7872 17.45334
245.2694 16.60178
245.7515 15.50263
246.2336 14.31316
246.7157 13.08372
247.1978 11.46030
247.6799 10.57190
248.1621 11.02403
248.6442 12.64131
249.1263 12.80237
249.6084 10.62646
250.0905 8.123795
250.5726 6.875763
251.0548 7.454041
251.5369 7.975479
252.0190 8.258240
252.5011 8.307922
252.9832 8.118958
253.4653 7.700485
253.9475 7.115585
254.4296 6.307587
254.9117 4.956879
255.3938 4.020691
255.8759 3.593201
256.3580 3.609924
256.8401 3.841858
257.3223 4.629089
257.8044 5.365234
258.2865 5.428040
258.7686 4.190079
259.2507 3.783615
259.7328 4.734665
260.2150 6.610474
260.6971 7.592712
261.1792 7.493103
261.6613 7.057770
262.1434 6.579926
262.6255 5.952698
263.1077 5.417648
263.5898 4.979660
264.0719 4.691299
264.5540 4.709564
265.0361 5.398056
265.5182 5.847137
266.0004 5.322952
266.4825 3.363602
266.9646 2.032776
267.4467 1.495987
267.9288 1.575592
268.4109 1.898254
268.8931 2.556519
269.3752 3.263687
269.8573 3.975250
270.3394 4.746689
270.8215 5.022354
271.3036 4.323914
271.7858 3.327576
272.2679 3.606400
272.7500 5.667328
273.2321 7.670258
273.7142 8.768982
274.1964 8.911484
274.6785 8.132828
275.1606 6.046494
275.6427 3.700226
276.1248 3.050247
276.6069 4.528366
277.0891 6.085556
277.5712 6.844971
278.0533 6.756866
278.5354 6.487198
279.0175 5.905014
279.4996 5.245758
279.9818 4.912811
280.4639 4.988113
280.9460 4.981277
281.4281 4.553482
281.9102 3.811874
282.3923 4.035965
282.8745 5.525818
283.3566 7.062378
283.8387 6.947815
284.3208 5.132401
284.8029 3.688934
285.2850 3.337952
285.7672 3.911484
286.2493 5.065521
286.7314 6.821472
287.2135 8.214081
287.6956 7.993088
288.1777 6.304581
288.6599 4.968796
289.1420 4.473160
289.6241 4.564041
290.1062 4.622437
290.5883 4.669083
291.0704 4.729218
291.5526 4.866821
292.0347 5.049286
292.5168 5.016357
292.9989 4.597778
293.4810 4.026093
293.9631 3.813339
294.4453 4.001144
294.9274 4.346634
295.4095 4.696838
295.8916 5.061630
296.3737 5.577179
296.8558 6.446518
297.3380 7.092072
297.8201 6.430359
298.3022 4.647110
298.7843 2.944824
299.2664 1.922485
299.7485 1.506866
300.2307 1.734344
300.7128 2.782516
301.1949 3.821747
301.6770 3.750076
302.1591 2.841995
302.6412 2.015427
303.1234 1.874161
303.6055 2.056992
304.0876 1.978622
304.5697 1.561096
305.0518 1.225266
305.5339 1.631439
306.0161 2.409073
306.4982 2.776962
306.9803 1.851105
307.4624 0.6423650
307.9445 0.3169560
308.4266 0.9093170
308.9088 1.523239
309.3909 1.579681
309.8730 1.234558
310.3551 0.7186740
310.8372 0.1594090
311.3193 0.9789580
311.8015 1.491501
312.2836 1.698761
312.7657 1.566299
313.2478 0.4385830
313.7299 0.7599950
314.2120 1.079620
314.6942 0.5477290
315.1763 2.171860
315.6584 2.834610
316.1405 2.654312
316.6226 2.050064
317.1047 0.4081420
317.5869 1.101501
318.0690 1.538681
318.5511 4.1200002E-03
319.0332 1.295105
319.5153 1.425888
319.9974 0.7235870
320.4796 4.6585001E-02
320.9617 1.214706
321.4438 1.955811
321.9259 1.709259
322.4080 1.1612000E-02
322.8901 1.438248
323.3723 2.096085
323.8544 2.246002
324.3365 2.259659
324.8186 1.976852
325.3007 1.776825
325.7828 1.785187
326.2650 2.033646
326.7471 2.325928
327.2292 3.130981
327.7113 3.752701
328.1934 3.525848
328.6755 0.7320860
329.1577 1.090195
329.6398 0.8429570
330.1219 1.461700
330.6040 2.521072
331.0861 1.509064
331.5682 9.7503997E-02
332.0504 1.410965
332.5325 2.891479
333.0146 3.271271
333.4967 1.924622
333.9788 0.6907500
334.4609 2.437805
334.9431 3.192657
335.4252 3.279465
335.9073 2.739838
336.3894 1.167786
336.8715 3.0731000E-02
337.3536 0.6173400
337.8358 0.8576660
338.3179 0.8606870
338.8000 0.6189120
339.2821 0.1617580
339.7642 0.6914060
340.2463 2.046097
340.7285 2.354935
341.2105 1.138733
341.6927 0.2433010
342.1748 0.5026090
342.6569 3.750198
343.1390 5.964035
343.6211 5.652344
344.1032 3.299713
344.5854 1.926453
345.0675 1.649567
345.5496 1.812012
346.0317 2.006119
346.5138 2.201874
346.9959 1.953979
347.4781 0.9354860
347.9602 0.3609770
348.4423 0.7809140
348.9244 0.3464200
349.4065 0.3189700
349.8886 1.141327
350.3708 1.870575
350.8529 1.555450
351.3350 0.2202300
351.8171 2.236893
352.2992 2.846649
352.7813 2.285110
353.2635 1.468811
353.7456 0.3766480
354.2277 0.4930420
354.7098 0.1236110
355.1919 1.661163
355.6740 3.348221
356.1562 3.423752
356.6383 2.485580
357.1204 1.596542
357.6025 1.171921
358.0846 0.9837190
358.5667 0.8391720
359.0489 0.7432710
359.5310 0.8269040
360.0131 1.147079
360.4952 1.693192
360.9773 2.477676
361.4594 3.838852
361.9416 5.026001
362.4237 5.652267
362.9058 5.819687
363.3879 5.855347
363.8700 5.704849
364.3521 5.581726
364.8343 5.601181
365.3164 5.781616
365.7985 6.059097
366.2806 6.473038
366.7627 7.001953
367.2448 7.610886
367.7270 8.633606
368.2091 9.407516
368.6912 9.581665
369.1733 8.983231
369.6554 8.681427
370.1375 8.787369
370.6197 9.213394
371.1018 9.935593
371.5839 10.88478
372.0660 12.19217
372.5481 14.10736
373.0302 16.41565
373.5124 17.63861
373.9945 17.04640
374.4766 16.48662
374.9587 17.15495
375.4408 19.49770
375.9229 21.63115
376.4051 23.35884
376.8872 24.80507
377.3693 26.32060
377.8514 27.92918
378.3335 29.82529
378.8156 32.11420
379.2978 34.78177
379.7799 37.44009
380.2620 39.98364
380.7441 42.63885
381.2262 45.96024
381.7083 49.93454
382.1905 53.62172
382.6726 56.48587
383.1547 58.98254
383.6368 62.31912
384.1189 66.51587
384.6010 71.03294
385.0832 75.20912
385.5653 79.31267
386.0474 84.30750
386.5295 90.65475
387.0116 97.60625
387.4937 104.6165
387.9759 111.4175
388.4580 117.6856
388.9401 122.4534
389.4222 127.1489
389.9043 133.5005
390.3864 141.7688
390.8686 150.5069
391.3507 158.7480
391.8328 166.7126
392.3149 174.7254
392.7970 182.2856
393.2791 190.5389
393.7613 200.7055
394.2434 212.6307
394.7255 223.8826
395.2076 232.7393
395.6897 240.8760
396.1718 249.4688
396.6540 258.4402
397.1361 268.3567
397.6182 279.7003
398.1003 292.0107
398.5824 304.3819
399.0645 316.8900
399.5467 329.4027
400.0288 341.9655
400.5109 354.8820
400.9930 366.2196
401.4751 376.1197
401.9572 384.8125
402.4394 392.4494
402.9215 399.9354
403.4036 404.6913
403.8857 406.2580
404.3678 404.7151
404.8499 400.7608
405.3321 394.1271
405.8142 385.6451
406.2963 375.7946
406.7784 364.4694
407.2605 352.1070
407.7426 338.6468
408.2248 324.2186
408.7069 308.6021
409.1890 291.9532
409.6711 275.8224
410.1532 260.6266
410.6353 246.4853
411.1175 234.0496
411.5996 223.4331
412.0817 214.4315
412.5638 207.2559
413.0459 201.7380
413.5280 196.7524
414.0102 191.8454
414.4923 187.5593
414.9744 184.5653
415.4565 182.8128
415.9386 182.0679
416.4207 182.0583
416.9029 183.0149
417.3850 185.4937
417.8671 189.8839
418.3492 194.4140
418.8313 197.3629
419.3134 199.7157
419.7956 203.1027
420.2777 208.5890
420.7598 214.9220
421.2419 220.9826
421.7240 226.8622
422.2061 235.0535
422.6883 248.1797
423.1704 262.8629
423.6525 276.8701
424.1346 288.0934
424.6167 300.7636
425.0988 315.2294
425.5810 331.3546
426.0631 349.0353
426.5452 369.9951
427.0273 390.4777
427.5094 409.6587
427.9915 427.4031
428.4737 444.2178
428.9558 461.1941
429.4379 476.1760
429.9200 487.5180
430.4021 496.1543
430.8842 498.2600
431.3664 492.4915
431.8485 479.8543
432.3306 463.9272
432.8127 444.5472
433.2948 422.6317
433.7769 397.5889
434.2591 369.7235
434.7412 343.4404
435.2233 318.8087
435.7054 296.4243
436.1875 276.6372
436.6696 259.4937
437.1518 245.2530
437.6339 234.0437
438.1160 225.5909
438.5981 219.6094
439.0802 216.0826
439.5623 214.5926
440.0444 215.0107
440.5266 217.2461
441.0087 221.2295
441.4908 227.0957
441.9729 234.3467
442.4550 243.5345
442.9371 253.8095
443.4193 263.5448
443.9014 271.2848
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