#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:34:23 +0300 (Thu, 24 May 2018) $
#$Revision: 735 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000239.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_1000239
loop_
_publ_author_name
'Menchetti, S.'
'Sabelli, C.'
_publ_section_title
;
 Peretaite, CaSb4O4(OH)2(SO4)2*2H2O: Its atomic arrangement and twinning
;
_journal_name_full               'American Mineralogist'
_journal_page_first              940
_journal_page_last               946
_journal_volume                  65
_journal_year                    1980
_chemical_compound_source        R060459
_chemical_formula_sum            'Ca H6 O16 S2 Sb4'
_chemical_name_mineral           Peretaite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.98
_cell_angle_gamma                90
_cell_length_a                   24.665
_cell_length_b                   5.6006
_cell_length_c                   10.185
_cell_volume                     1399.288
_exptl_crystal_density_diffrn    4.050
_cod_original_formula_sum        'Sb4 Ca S2 O16 H6'
_cod_database_code               9000782
_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            R060459.rod
_rod_data_source.block           3500000
_rod_database.code               1000239
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 9000782 COD http://www.crystallography.net/cod/9000782.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
178.2984 0.0000000E+00
178.7805 1.707886
179.2626 3.213013
179.7447 4.000244
180.2268 1.706543
180.7090 0.3277590
181.1911 1.459229
181.6732 0.9830320
182.1553 2.148682
182.6374 6.877808
183.1195 10.67432
183.6017 13.35425
184.0838 16.03601
184.5659 20.14478
185.0480 25.47754
185.5301 31.48682
186.0123 36.70984
186.4944 42.22229
186.9765 51.38757
187.4586 64.60425
187.9407 80.57092
188.4228 98.41650
188.9050 117.8640
189.3871 137.2301
189.8692 154.9175
190.3513 171.3396
190.8334 189.4667
191.3155 209.6729
191.7977 230.6823
192.2798 251.1664
192.7619 271.1519
193.2440 289.0720
193.7261 305.1241
194.2082 319.0468
194.6904 328.1005
195.1725 331.8188
195.6546 331.4347
196.1367 329.2845
196.6188 325.5245
197.1009 318.4224
197.5831 306.3149
198.0652 289.1228
198.5473 271.1952
199.0294 252.4680
199.5115 233.4886
199.9937 214.9261
200.4758 196.7825
200.9579 180.2124
201.4400 165.7483
201.9221 153.2974
202.4042 144.0970
202.8864 138.8923
203.3685 136.2462
203.8506 132.1462
204.3327 125.7051
204.8148 121.5764
205.2969 122.9570
205.7791 130.5918
206.2612 138.0889
206.7433 144.9473
207.2254 151.5956
207.7075 159.0773
208.1896 167.5609
208.6718 176.4628
209.1539 185.4048
209.6360 194.0731
210.1181 204.0941
210.6002 215.9424
211.0823 229.0050
211.5645 241.7028
212.0466 254.2869
212.5287 266.1265
213.0108 276.7097
213.4929 285.7504
213.9750 294.9802
214.4572 304.4330
214.9393 314.1534
215.4214 324.8441
215.9035 337.3412
216.3856 349.1753
216.8678 358.4540
217.3499 364.2191
217.8320 370.8876
218.3141 378.8196
218.7962 387.6172
219.2783 395.7632
219.7605 402.1299
220.2426 409.6422
220.7247 419.5491
221.2068 431.4966
221.6889 446.7556
222.1710 465.9260
222.6532 488.2908
223.1353 510.7242
223.6174 532.4440
224.0995 556.0087
224.5816 583.1378
225.0637 616.2294
225.5459 647.5635
226.0280 676.4788
226.5101 703.7007
226.9922 731.2375
227.4743 763.3871
227.9564 789.7205
228.4386 806.0911
228.9207 811.3911
229.4028 810.4854
229.8849 803.4338
230.3670 788.8064
230.8492 763.3508
231.3313 723.0833
231.8134 677.7439
232.2955 630.4487
232.7776 579.8148
233.2597 531.0024
233.7419 484.2798
234.2240 439.7274
234.7061 398.6877
235.1882 361.8789
235.6703 329.2415
236.1524 299.3727
236.6346 274.2765
237.1167 250.6255
237.5988 228.1974
238.0809 207.7468
238.5630 189.9799
239.0451 174.8811
239.5273 161.9381
240.0094 151.3873
240.4915 144.3250
240.9736 137.0029
241.4557 128.7057
241.9378 120.1818
242.4200 113.2714
242.9021 108.8116
243.3842 104.3961
243.8663 99.08569
244.3484 92.28943
244.8306 86.66968
245.3127 82.46399
245.7948 78.93506
246.2769 75.12390
246.7590 71.20789
247.2411 67.08948
247.7233 62.45508
248.2054 56.68347
248.6875 52.91272
249.1696 52.19031
249.6517 52.81885
250.1338 52.03931
250.6160 49.34851
251.0981 46.16089
251.5802 42.78052
252.0623 39.02637
252.5444 35.95166
253.0265 33.70288
253.5087 32.04834
253.9908 30.75317
254.4729 29.99622
254.9550 29.26050
255.4371 28.57251
255.9192 28.06763
256.4014 26.37244
256.8835 22.49084
257.3656 18.40796
257.8477 16.71143
258.3298 18.68140
258.8120 20.13977
259.2941 19.89441
259.7762 17.80920
260.2583 16.09119
260.7404 14.59412
261.2225 13.58533
261.7047 13.25220
262.1868 13.45471
262.6689 14.77893
263.1510 18.23230
263.6331 23.63013
264.1152 25.13306
264.5974 21.18640
265.0795 15.71252
265.5616 12.61609
266.0437 12.56360
266.5258 12.59631
267.0079 12.20471
267.4901 11.46436
267.9722 11.04785
268.4543 11.28113
268.9364 11.26819
269.4185 10.02197
269.9006 7.096680
270.3828 5.011963
270.8649 4.336914
271.3470 4.758667
271.8291 4.589966
272.3112 3.369263
272.7933 2.686157
273.2755 4.387695
273.7576 9.135010
274.2397 11.31702
274.7218 9.562744
275.2039 5.171387
275.6860 1.828613
276.1682 0.6065670
276.6503 1.576782
277.1324 0.1726070
277.6145 5.015137
278.0966 7.630493
278.5787 7.387451
279.0609 5.082275
279.5430 1.746704
280.0251 2.908325
280.5072 6.442261
280.9893 6.898804
281.4715 4.282227
281.9536 2.803833
282.4357 2.921143
282.9178 3.696411
283.3999 3.415649
283.8820 2.037964
284.3642 0.8349610
284.8463 0.6624760
285.3284 1.425415
285.8105 1.781494
286.2926 1.836060
286.7747 1.278687
287.2569 0.8608400
287.7390 4.480713
288.2211 7.327881
288.7032 8.269165
289.1853 7.647949
289.6674 7.241211
290.1496 7.199829
290.6317 6.505371
291.1138 3.138062
291.5959 2.386597
292.0780 6.509399
292.5602 7.966309
293.0423 7.279175
293.5244 4.866455
294.0065 0.6108400
294.4886 2.674072
294.9707 1.148438
295.4529 3.763306
295.9350 6.754028
296.4171 5.593140
296.8992 2.594971
297.3813 1.997192
297.8634 3.620483
298.3456 5.420166
298.8277 5.922852
299.3098 5.453003
299.7919 4.557373
300.2740 3.041504
300.7561 1.706787
301.2383 2.364258
301.7204 4.477539
302.2025 5.590698
302.6846 3.459229
303.1667 0.4479980
303.6488 4.196045
304.1310 7.652832
304.6131 10.29211
305.0952 10.51147
305.5773 9.284912
306.0594 9.241821
306.5415 13.03064
307.0237 18.07556
307.5058 21.66187
307.9879 23.38245
308.4700 24.49500
308.9521 25.82886
309.4343 27.22766
309.9164 28.46484
310.3985 29.03894
310.8806 29.69531
311.3627 30.88696
311.8448 32.64465
312.3270 35.11670
312.8091 39.59888
313.2912 44.46704
313.7733 47.81055
314.2554 48.16638
314.7375 47.50720
315.2197 45.68030
315.7018 43.07068
316.1839 42.82922
316.6660 47.44922
317.1481 54.50537
317.6302 62.02881
318.1124 70.58057
318.5945 78.28540
319.0766 84.14990
319.5587 88.59656
320.0408 93.20459
320.5229 97.11182
321.0051 102.2606
321.4872 110.0627
321.9693 122.5184
322.4514 134.0813
322.9335 142.9357
323.4156 150.2025
323.8978 158.0358
324.3799 166.5248
324.8620 175.8921
325.3441 186.3040
325.8262 197.7812
326.3083 209.9353
326.7905 223.2920
327.2726 237.1871
327.7547 250.6130
328.2368 262.6691
328.7189 275.2762
329.2010 288.7771
329.6832 303.0497
330.1653 318.1510
330.6474 334.1348
331.1295 350.8947
331.6116 368.6694
332.0938 389.0551
332.5759 407.9285
333.0580 423.9381
333.5401 437.6591
334.0222 452.7101
334.5043 470.8347
334.9865 488.3490
335.4686 503.4279
335.9507 516.3563
336.4328 525.7365
336.9149 532.0198
337.3970 534.4988
337.8792 531.0531
338.3613 521.1445
338.8434 507.2147
339.3255 489.9783
339.8076 469.0480
340.2898 446.4678
340.7719 421.7166
341.2540 395.9237
341.7361 369.6904
342.2182 343.2896
342.7003 317.8177
343.1825 293.5724
343.6646 270.5663
344.1467 250.6222
344.6288 233.9191
345.1109 218.8348
345.5930 202.5609
346.0752 185.5679
346.5573 171.6879
347.0394 162.4337
347.5215 156.2137
348.0036 149.4128
348.4857 142.0668
348.9679 134.9822
349.4500 128.4375
349.9321 122.3845
350.4142 116.9646
350.8963 112.5439
351.3784 108.3438
351.8606 103.1354
352.3427 97.16003
352.8248 91.36401
353.3069 85.90161
353.7890 81.05237
354.2711 77.36206
354.7533 75.04138
355.2354 73.29932
355.7175 72.21216
356.1996 71.11780
356.6817 68.95386
357.1638 63.95544
357.6460 58.76770
358.1281 55.58252
358.6102 54.28613
359.0923 53.04016
359.5744 50.62561
360.0565 47.84155
360.5387 45.65564
361.0208 45.21924
361.5029 44.37732
361.9850 41.74353
362.4671 37.79810
362.9492 34.09094
363.4314 30.86621
363.9135 28.24304
364.3956 26.40308
364.8777 25.75378
365.3598 24.97180
365.8419 23.57629
366.3241 21.93555
366.8062 20.60217
367.2883 19.80029
367.7704 19.16418
368.2526 18.47144
368.7347 17.58740
369.2168 17.42505
369.6989 19.01038
370.1810 20.68323
370.6631 21.06714
371.1453 19.17749
371.6274 17.46448
372.1095 16.40442
372.5916 15.81616
373.0737 14.46350
373.5558 11.77893
374.0380 9.151001
374.5201 7.221924
375.0022 5.900757
375.4843 5.769531
375.9664 7.419189
376.4485 9.766846
376.9307 10.60437
377.4128 9.619995
377.8949 8.359497
378.3770 7.207153
378.8591 6.190552
379.3412 6.326172
379.8234 7.956909
380.3055 9.508667
380.7876 8.786499
381.2697 5.944458
381.7518 3.650635
382.2339 2.687988
382.7161 2.670410
383.1982 2.992065
383.6803 3.627930
384.1624 3.907104
384.6445 2.759399
385.1266 0.8830570
385.6088 0.1757810
386.0909 1.187256
386.5730 2.596680
387.0551 2.913574
387.5372 2.367798
388.0193 1.631348
388.5015 0.7733150
388.9836 3.8208000E-02
389.4657 0.4501950
389.9478 0.7016600
390.4299 0.3002930
390.9120 2.356689
391.3942 5.421875
391.8763 6.538452
392.3584 2.020386
392.8405 1.883789
393.3226 1.026489
393.8047 3.554932
394.2869 7.117676
394.7690 6.236938
395.2511 4.847046
395.7332 5.645752
396.2154 10.73376
396.6975 14.50476
397.1796 14.55762
397.6617 12.78064
398.1438 12.40698
398.6259 14.18188
399.1081 17.07629
399.5902 21.27039
400.0723 27.08557
400.5544 31.80347
401.0365 34.89673
401.5186 37.25745
402.0008 39.46558
402.4829 40.98645
402.9650 43.38733
403.4471 47.18774
403.9292 51.99548
404.4113 56.24158
404.8935 60.20178
405.3756 63.05505
405.8577 63.71472
406.3398 61.57825
406.8219 61.92505
407.3040 65.25647
407.7862 70.29138
408.2683 75.13013
408.7504 79.74939
409.2325 85.57788
409.7146 93.47241
410.1967 102.8535
410.6789 112.2911
411.1610 121.7952
411.6431 131.7126
412.1252 142.3304
412.6073 153.5427
413.0894 165.0022
413.5716 176.4142
414.0537 187.9717
414.5358 200.1722
415.0179 212.6251
415.5000 224.5227
415.9821 237.3080
416.4643 248.0796
416.9464 253.3827
417.4285 252.7220
417.9106 249.1167
418.3927 243.8920
418.8748 236.9897
419.3570 228.4503
419.8391 215.1237
420.3212 203.1339
420.8033 195.3918
421.2854 191.3094
421.7675 187.8560
422.2497 183.0371
422.7318 179.4380
423.2139 178.6837
423.6960 182.1989
424.1781 185.8950
424.6602 189.4539
425.1424 192.9563
425.6245 196.3944
426.1066 197.9323
426.5887 201.7079
427.0709 209.2461
427.5530 220.5381
428.0351 230.7126
428.5172 239.6527
428.9993 247.7466
429.4814 255.1881
429.9636 261.8094
430.4457 268.4911
430.9278 275.6726
431.4099 282.5685
431.8920 287.4053
432.3741 290.1095
432.8563 291.6213
433.3384 292.4196
433.8205 292.4194
434.3026 291.3220
434.7847 289.2321
435.2668 285.2719
435.7490 277.5658
436.2311 267.0063
436.7132 257.1876
437.1953 249.7161
437.6774 242.4432
438.1595 232.2378
438.6417 219.5157
439.1238 205.9794
439.6059 191.6333
440.0880 177.5369
440.5701 165.0397
441.0522 154.4288
441.5344 144.1165
442.0165 132.9635
442.4986 121.5669
442.9807 110.7097
443.4628 100.7603
443.9449 91.28564
444.4271 82.19446
444.9092 73.45361
445.3913 64.85901
445.8734 55.01074
446.3555 46.55774
446.8376 41.07666
447.3198 40.73645
447.8019 39.09583
448.2840 35.33118
448.7661 30.62939
449.2482 26.52673
449.7303 22.42908
450.2125 19.79810
450.6946 19.40857
451.1767 21.08374
451.6588 21.65283
452.1409 21.08044
452.6230 19.41431
453.1052 15.89502
453.5873 10.11731
454.0694 7.253662
454.5515 8.476318
455.0337 11.27966
455.5158 11.17847
455.9979 8.403442
456.4800 6.071899
456.9621 5.690186
457.4442 6.211060
457.9264 5.496338
458.4085 3.755615
458.8906 2.486694
459.3727 3.502319
459.8548 5.514771
460.3369 6.389526
460.8191 5.240356
461.3012 3.744873
461.7833 3.477661
462.2654 4.203247
462.7475 5.282227
463.2296 5.953979
463.7118 6.587769
464.1939 7.411987
464.6760 8.477417
465.1581 9.846191
465.6402 11.55676
466.1223 13.56433
466.6045 15.81201
467.0866 18.62769
467.5687 21.33081
468.0508 24.13696
468.5329 26.52222
469.0150 27.68469
469.4972 26.23535
469.9793 26.00854
470.4614 28.98145
470.9435 35.48010
471.4256 38.44031
471.9077 36.76123
472.3899 33.79773
472.8720 32.37976
473.3541 32.58960
473.8362 33.55151
474.3183 35.34985
474.8004 37.47156
475.2826 39.23926
475.7647 40.61829
476.2468 41.15051
476.7289 39.00244
477.2110 36.11743
477.6931 37.85986
478.1753 44.23669
478.6574 50.28357
479.1395 51.04504
479.6216 49.10364
480.1037 48.49658
480.5858 51.39062
481.0680 53.72498
481.5501 51.90967
482.0322 47.54443
482.5143 43.96228
482.9964 43.35840
483.4786 43.10669
483.9607 42.09814
484.4428 40.25464
484.9249 37.88721
485.4070 34.72693
485.8892 31.30774
486.3713 27.98462
486.8534 24.55164
487.3355 21.53943
487.8176 18.56531
488.2997 16.15027
488.7819 15.62915
489.2640 18.05017
489.7461 19.95300
490.2282 20.15686
490.7103 18.73071
491.1924 16.83936
491.6746 14.27197
492.1567 11.99329
492.6388 11.16870
493.1209 11.57678
493.6030 11.33179
494.0851 9.980713
494.5673 8.401245
495.0494 7.713745
495.5315 7.847046
496.0136 8.581055
496.4957 10.59485
496.9778 12.70044
497.4600 13.54980
497.9421 13.21777
498.4242 12.50452
498.9063 11.99414
499.3884 11.26917
499.8705 9.657104
500.3527 6.141846
500.8348 4.010864
501.3169 6.456909
501.7990 10.48242
502.2811 11.86475
502.7632 6.887451
503.2454 2.391968
503.7275 0.1130370
504.2096 0.7498780
504.6917 0.9202880
505.1738 8.5814998E-02
505.6559 0.6408690
506.1381 0.3630370
506.6202 3.580200
507.1023 5.531372
507.5844 5.919556
508.0665 5.546021
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1302.596 0.0000000E+00
