#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:36:57 +0300 (Thu, 26 Apr 2018) $
#$Revision: 507 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000060.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_1000060
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 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            R060459.rod
_rod_data_source.block           3500000
_rod_database.code               1000060
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
162.9229 0.0000000E+00
163.4050 1.390991
163.8871 2.873474
164.3693 3.715454
164.8514 5.936218
165.3335 5.393982
165.8156 2.748535
166.2977 0.5385740
166.7798 0.5090330
167.2620 0.7470700
167.7441 0.7094120
168.2262 0.6462400
168.7083 0.4204710
169.1904 0.3465580
169.6725 1.510925
170.1547 3.250793
170.6368 6.102661
171.1189 9.701416
171.6010 12.73077
172.0831 14.31012
172.5652 15.15601
173.0474 16.80737
173.5295 19.37610
174.0116 22.50067
174.4937 26.05927
174.9758 30.05640
175.4579 34.06647
175.9401 38.43555
176.4222 42.41608
176.9043 44.97375
177.3864 45.58191
177.8685 45.56940
178.3506 46.78455
178.8328 49.67578
179.3149 52.18225
179.7970 52.74530
180.2791 53.00867
180.7612 54.45197
181.2433 57.68646
181.7255 62.08130
182.2076 66.37219
182.6897 70.64594
183.1718 74.60284
183.6539 77.43634
184.1360 80.26251
184.6181 84.29547
185.1003 90.16028
185.5824 97.39862
186.0645 104.2718
186.5466 109.2588
187.0287 115.9019
187.5108 125.4260
187.9930 136.5667
188.4751 147.7278
188.9572 157.9495
189.4393 167.5059
189.9214 177.8453
190.4035 190.3576
190.8857 202.0868
191.3678 212.3745
191.8499 221.4677
192.3320 230.0068
192.8141 238.4656
193.2962 246.6219
193.7784 252.6128
194.2605 257.7148
194.7426 260.0176
195.2247 258.0505
195.7068 252.6053
196.1889 245.8061
196.6711 238.7571
197.1532 231.3961
197.6353 223.5813
198.1174 214.6107
198.5995 205.8188
199.0816 197.3458
199.5638 189.3554
200.0459 183.0677
200.5280 179.4114
201.0101 178.1055
201.4922 177.5349
201.9743 177.0237
202.4565 177.8615
202.9386 181.1320
203.4207 186.8467
203.9028 194.3714
204.3849 203.7160
204.8670 214.7021
205.3492 227.0590
205.8313 240.8834
206.3134 255.8966
206.7955 271.8889
207.2776 289.0350
207.7597 306.3533
208.2419 324.2404
208.7240 341.7901
209.2061 357.7868
209.6882 371.6135
210.1703 384.2175
210.6524 397.4704
211.1346 412.0656
211.6167 425.2209
212.0988 435.3668
212.5809 444.0675
213.0630 452.8568
213.5451 462.3292
214.0273 472.0250
214.5094 480.7380
214.9915 487.5925
215.4736 495.0691
215.9557 504.1398
216.4378 513.7609
216.9200 522.8278
217.4021 530.7601
217.8842 538.2242
218.3663 546.9220
218.8484 557.1303
219.3305 568.3613
219.8127 580.0667
220.2948 592.8420
220.7769 607.3708
221.2590 624.1354
221.7411 642.4377
222.2232 660.4559
222.7054 677.3265
223.1875 695.2550
223.6696 715.0165
224.1517 735.3378
224.6338 755.3594
225.1159 774.7878
225.5980 792.9674
226.0802 807.9277
226.5623 822.5394
227.0444 830.2639
227.5265 830.7023
228.0086 823.7402
228.4907 808.8934
228.9729 785.9423
229.4550 755.8378
229.9371 720.7313
230.4192 678.7448
230.9013 635.4590
231.3834 589.8060
231.8656 543.7395
232.3477 499.9482
232.8298 459.3350
233.3119 421.7789
233.7940 387.3632
234.2761 356.0528
234.7583 327.8972
235.2404 303.1662
235.7225 281.2805
236.2046 261.3138
236.6867 242.9454
237.1688 226.3098
237.6510 211.7726
238.1331 199.5099
238.6152 187.7471
239.0973 175.5886
239.5794 163.5221
240.0615 152.5739
240.5437 142.8247
241.0258 134.5802
241.5079 128.6685
241.9900 125.0427
242.4721 121.3752
242.9542 116.4995
243.4364 110.7403
243.9185 105.0330
244.4006 99.47946
244.8827 94.33679
245.3648 89.88907
245.8469 86.07150
246.3290 82.60345
246.8112 79.48566
247.2933 76.63986
247.7754 73.72562
248.2575 70.62952
248.7396 67.60486
249.2217 64.80792
249.7039 62.22028
250.1860 59.83246
250.6681 57.84961
251.1502 56.10449
251.6323 53.86432
252.1144 50.78705
252.5966 47.73962
253.0787 45.35812
253.5608 43.39993
254.0429 41.24774
254.5250 38.06204
255.0071 34.39752
255.4893 32.57187
255.9714 33.70984
256.4535 34.97455
256.9356 35.36890
257.4177 34.98624
257.8998 33.88348
258.3820 31.82660
258.8641 29.19653
259.3462 27.39197
259.8283 26.90234
260.3104 26.47858
260.7925 25.50400
261.2747 24.37665
261.7568 23.73352
262.2389 24.02042
262.7210 24.73480
263.2031 24.30408
263.6852 21.84723
264.1674 19.71835
264.6495 18.56085
265.1316 17.92743
265.6137 17.38300
266.0958 16.74585
266.5779 16.06650
267.0601 15.42899
267.5422 14.65240
268.0243 14.29938
268.5064 15.30212
268.9885 16.25739
269.4706 15.55951
269.9528 12.70337
270.4349 9.052155
270.9170 7.367767
271.3991 9.206207
271.8812 9.988495
272.3633 8.693085
272.8455 6.855499
273.3276 5.639679
273.8097 5.322449
274.2918 5.410950
274.7739 5.120422
275.2560 4.050476
275.7382 3.471375
276.2202 3.955933
276.7024 4.398041
277.1845 3.905640
277.6666 2.469727
278.1487 0.9030150
278.6308 0.2575070
279.1129 0.9717710
279.5951 1.079956
280.0772 1.115326
280.5593 2.392609
281.0414 0.1565550
281.5235 4.994720
282.0056 10.20145
282.4878 12.80396
282.9699 12.65027
283.4520 10.80927
283.9341 5.100250
284.4162 5.1146999E-02
284.8983 2.362061
285.3805 2.513977
285.8626 1.714050
286.3447 0.8281860
286.8268 0.1277470
287.3089 9.0942003E-02
287.7910 2.100494
288.2732 3.951782
288.7553 4.781281
289.2374 4.742920
289.7195 3.948730
290.2016 2.320953
290.6837 0.2965700
291.1659 0.4061580
291.6480 5.726501
292.1301 9.577362
292.6122 10.23492
293.0943 8.934387
293.5764 7.270233
294.0586 5.943420
294.5407 4.962097
295.0228 4.346985
295.5049 4.360626
295.9870 4.443787
296.4691 4.663055
296.9513 4.904236
297.4334 5.048004
297.9155 5.054199
298.3976 4.974213
298.8797 4.936890
299.3618 5.431122
299.8440 4.901459
300.3261 2.388245
300.8082 0.5205990
301.2903 2.341492
301.7724 2.882935
302.2545 3.308197
302.7367 5.018250
303.2188 8.404663
303.7009 11.70129
304.1830 15.49667
304.6651 18.75925
305.1472 20.25305
305.6294 20.31882
306.1115 20.77869
306.5936 23.26767
307.0757 27.93509
307.5578 32.17145
308.0399 35.73868
308.5221 39.20160
309.0042 42.89325
309.4863 46.69458
309.9684 50.02832
310.4505 52.33945
310.9326 54.00140
311.4148 57.64651
311.8969 64.74670
312.3790 71.81250
312.8611 77.48816
313.3432 82.67844
313.8253 88.94043
314.3075 96.97253
314.7896 106.3537
315.2717 116.1193
315.7538 126.5800
316.2359 137.0321
316.7180 147.2495
317.2001 157.5127
317.6823 168.0970
318.1644 179.1306
318.6465 190.5089
319.1286 202.1489
319.6107 214.1178
320.0928 226.0504
320.5750 238.1400
321.0571 250.1021
321.5392 261.6377
322.0213 272.7236
322.5034 283.8267
322.9855 295.3467
323.4677 307.4826
323.9498 319.1288
324.4319 329.1874
324.9140 339.8547
325.3961 352.7484
325.8782 367.3110
326.3604 381.7695
326.8425 394.7821
327.3246 406.5636
327.8067 419.8797
328.2888 435.9530
328.7709 451.9584
329.2531 467.1511
329.7352 481.7848
330.2173 496.3032
330.6994 510.9069
331.1815 525.5387
331.6636 540.1653
332.1458 555.7728
332.6279 570.0885
333.1100 583.2658
333.5921 594.9261
334.0742 605.4630
334.5563 614.6892
335.0385 620.9732
335.5206 621.9371
336.0027 616.9503
336.4848 606.9714
336.9669 591.1696
337.4490 571.6716
337.9312 548.7917
338.4133 523.1174
338.8954 496.4431
339.3775 470.3513
339.8596 444.8213
340.3417 417.2316
340.8239 383.5627
341.3060 352.3046
341.7881 327.2105
342.2702 306.6019
342.7523 287.2792
343.2344 267.4941
343.7166 247.6056
344.1987 229.2766
344.6808 212.4057
345.1629 197.3773
345.6450 184.9532
346.1271 174.0567
346.6093 163.4735
347.0914 152.8700
347.5735 142.8423
348.0556 134.8457
348.5377 130.7125
349.0198 125.1912
349.5020 116.0659
349.9841 106.8973
350.4662 100.7980
350.9483 97.88235
351.4304 95.70535
351.9125 91.46881
352.3947 84.65204
352.8768 79.12454
353.3589 75.45923
353.8410 72.42084
354.3231 69.95667
354.8052 67.78156
355.2874 65.43512
355.7695 62.59521
356.2516 59.36725
356.7337 56.27856
357.2158 53.47400
357.6979 50.59375
358.1800 47.38300
358.6621 44.33783
359.1443 41.87915
359.6264 40.13873
360.1085 38.90015
360.5906 37.88037
361.0727 37.38806
361.5548 36.28174
362.0370 33.95935
362.5191 31.40826
363.0012 29.06989
363.4833 27.05280
363.9654 25.45544
364.4475 24.53510
364.9297 24.35205
365.4118 23.80145
365.8939 22.59021
366.3760 21.30188
366.8581 19.82727
367.3402 18.46637
367.8224 17.87689
368.3045 18.74188
368.7866 20.39838
369.2687 20.76483
369.7508 19.22723
370.2329 17.73645
370.7151 17.37579
371.1972 17.18896
371.6793 16.02496
372.1614 13.45624
372.6435 10.69287
373.1256 9.166443
373.6078 8.922180
374.0899 9.364075
374.5720 11.44049
375.0541 13.18964
375.5362 12.79352
376.0183 10.44189
376.5005 8.253967
376.9826 7.860352
377.4647 8.776733
377.9468 9.104370
378.4289 8.370056
378.9110 7.848083
379.3932 8.776978
379.8753 10.48840
380.3574 11.73883
380.8395 12.19470
381.3216 11.96887
381.8037 10.83844
382.2859 8.771545
382.7680 7.259949
383.2501 7.198486
383.7322 7.950378
384.2143 8.402466
384.6964 8.436584
385.1786 8.524231
385.6607 9.000000
386.1428 9.737000
386.6249 10.42035
387.1070 10.99719
387.5891 11.45300
388.0713 11.83282
388.5534 12.14062
389.0355 12.05304
389.5176 10.65234
389.9997 9.358032
390.4818 9.771057
390.9640 11.90546
391.4461 14.48242
391.9282 16.72607
392.4103 18.68591
392.8924 20.69427
393.3745 23.03046
393.8567 25.10675
394.3388 26.08044
394.8209 26.69226
395.3030 28.51831
395.7851 32.24402
396.2672 36.92175
396.7494 40.97668
397.2315 44.28668
397.7136 47.18030
398.1957 49.25403
398.6778 51.19366
399.1599 53.63440
399.6420 56.58759
400.1241 59.58923
400.6063 62.22095
401.0884 64.48883
401.5705 66.86786
402.0526 69.14844
402.5347 71.76044
403.0168 75.02777
403.4990 78.68585
403.9811 82.27405
404.4632 85.55804
404.9453 88.71875
405.4274 92.14758
405.9095 95.60968
406.3917 99.78668
406.8738 105.1959
407.3559 110.8688
407.8380 115.7169
408.3201 119.8813
408.8022 124.8019
409.2844 132.2538
409.7665 142.4186
410.2486 151.6956
410.7307 158.9058
411.2128 166.4529
411.6949 174.9301
412.1771 184.2188
412.6592 194.3071
413.1413 205.3748
413.6234 216.5984
414.1055 226.3322
414.5876 234.6816
415.0698 241.3058
415.5519 246.4479
416.0340 249.5597
416.5161 249.3282
416.9982 245.8430
417.4803 241.9167
417.9625 239.6363
418.4446 238.9105
418.9267 239.1705
419.4088 240.8142
419.8909 242.6786
420.3730 243.7940
420.8552 244.5752
421.3373 245.8453
421.8194 247.6646
422.3015 250.3021
422.7836 254.4488
423.2657 260.0766
423.7479 265.4765
424.2300 269.6333
424.7121 273.5156
425.1942 278.7651
425.6763 285.6375
426.1584 292.4382
426.6406 298.3567
427.1227 303.7719
427.6048 309.3760
428.0869 315.3558
428.5690 321.1104
429.0511 326.2022
429.5333 330.5421
430.0154 333.9165
430.4975 336.6874
430.9796 338.1518
431.4617 337.8408
431.9438 335.9007
432.4260 332.6445
432.9081 328.1974
433.3902 322.6870
433.8723 316.4543
434.3544 310.4693
434.8365 301.9621
435.3187 289.7974
435.8008 275.7554
436.2829 261.0641
436.7650 246.0303
437.2471 230.5951
437.7292 214.5630
438.2114 197.8188
438.6935 182.6627
439.1756 170.4404
439.6577 158.3031
440.1398 145.4191
440.6219 132.3466
441.1040 119.8570
441.5862 108.3743
442.0683 97.98331
442.5504 89.09235
443.0325 82.28351
443.5146 74.57336
443.9967 63.85831
444.4789 53.90762
444.9610 47.02036
445.4431 42.86661
445.9252 39.49551
446.4073 35.74118
446.8894 31.68738
447.3716 27.65494
447.8537 23.57678
448.3358 19.74014
448.8179 16.17322
449.3000 12.92639
449.7821 10.03476
450.2643 7.460693
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451.2285 3.777496
451.7106 2.883301
452.1927 2.369659
452.6748 2.254395
453.1570 2.001984
453.6391 0.9571530
454.1212 0.6677250
454.6033 2.077179
455.0854 3.195679
455.5675 3.889343
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456.5318 3.633759
457.0139 3.009705
457.4960 2.070587
457.9781 0.9462590
458.4602 0.1585390
458.9424 7.5317003E-02
459.4245 0.4061280
459.9066 0.7719730
460.3887 1.069916
460.8708 1.364380
461.3529 1.807861
461.8351 2.500061
462.3172 3.443359
462.7993 4.556244
463.2814 5.561279
463.7635 6.165710
464.2456 7.150085
464.7278 9.132965
465.2099 11.50327
465.6920 13.33722
466.1741 14.27335
466.6562 14.75861
467.1383 15.57547
467.6205 16.89508
468.1026 18.05032
468.5847 18.40002
469.0668 19.15210
469.5489 21.30377
470.0310 24.35895
470.5132 26.91931
470.9953 27.99066
471.4774 28.11850
471.9595 28.72568
472.4416 29.97638
472.9237 31.11850
473.4059 31.56900
473.8880 31.99326
474.3701 33.20779
474.8522 35.33771
475.3343 37.12448
475.8164 37.16788
476.2986 36.31265
476.7807 36.91635
477.2628 39.50693
477.7449 42.11597
478.2270 43.42584
478.7091 43.48761
479.1913 42.81213
479.6734 41.07324
480.1555 38.99124
480.6376 36.49942
481.1197 33.97708
481.6018 32.43387
482.0839 32.25940
482.5660 32.40332
483.0482 31.41141
483.5303 29.01562
484.0124 26.26331
484.4945 22.40240
484.9766 18.91736
485.4587 16.99551
485.9409 16.08542
486.4230 14.56668
486.9051 11.42548
487.3872 7.659271
487.8693 6.401428
488.3514 9.925568
488.8336 11.65005
489.3157 9.580902
489.7978 7.049255
490.2799 6.759888
490.7620 8.409607
491.2441 9.395233
491.7263 7.050598
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1284.808 0.0000000E+00
