#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:28:49 +0300 (Thu, 26 Apr 2018) $
#$Revision: 480 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000037.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_1000037
loop_
_publ_author_name
'Manchetti, S.'
'Sabelli, C.'
_publ_section_title
;
 The crystal structure of klebelsbergite Sb4O4(OH)2SO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              931
_journal_page_last               935
_journal_volume                  65
_journal_year                    1980
_chemical_compound_source        R060157
_chemical_formula_sum            'H2 O10 S Sb4'
_chemical_name_mineral           Klebelsbergite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.766
_cell_length_b                   11.274
_cell_length_c                   14.887
_cell_volume                     967.743
_exptl_crystal_density_diffrn    4.675
_cod_original_formula_sum        'Sb4 S O10 H2'
_cod_database_code               9000781
_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            R060157.rod
_rod_data_source.block           3500000
_rod_database.code               1000037
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 9000781 COD http://www.crystallography.net/cod/9000781.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
146.0224 0.0000000E+00
146.5045 0.6354770
146.9866 1.415634
147.4688 1.222501
147.9509 0.3983740
148.4330 8.7967001E-02
148.9151 0.2979800
149.3972 0.3006220
149.8793 1.452753
150.3615 2.745090
150.8436 3.605440
151.3257 3.630860
151.8078 3.171272
152.2899 2.996404
152.7720 3.114391
153.2542 3.525440
153.7363 4.245790
154.2184 5.195790
154.7005 6.281341
155.1826 7.463347
155.6647 8.729007
156.1469 9.938329
156.6290 10.75018
157.1111 11.84626
157.5932 13.56290
158.0753 15.71924
158.5574 17.93843
159.0396 19.94593
159.5217 21.76315
160.0038 23.10838
160.4859 23.64849
160.9680 24.09246
161.4501 24.69963
161.9323 25.48624
162.4144 26.34750
162.8965 27.18011
163.3786 27.99302
163.8607 28.72362
164.3428 29.40932
164.8250 29.99712
165.3071 30.34030
165.7892 30.43955
166.2713 30.59996
166.7534 31.26566
167.2355 32.53632
167.7177 33.55685
168.1998 34.22429
168.6819 34.60162
169.1640 34.81348
169.6461 34.92715
170.1282 34.71592
170.6104 33.78897
171.0925 32.24494
171.5746 30.49219
172.0567 28.65364
172.5388 26.72733
173.0209 24.68716
173.5031 22.45134
173.9852 20.21486
174.4673 18.04039
174.9494 15.94536
175.4315 14.06588
175.9136 12.52190
176.3958 11.30519
176.8779 10.30526
177.3600 9.618850
177.8421 9.077916
178.3242 8.640276
178.8063 8.280955
179.2885 7.924070
179.7706 7.474170
180.2527 6.897522
180.7348 6.366474
181.2169 5.776569
181.6990 5.317457
182.1812 5.132454
182.6633 5.226226
183.1454 5.476028
183.6275 5.713480
184.1096 5.920545
184.5917 6.155736
185.0738 6.496387
185.5560 6.810528
186.0381 6.961367
186.5202 6.931450
187.0023 6.853360
187.4844 6.941664
187.9665 7.123485
188.4487 7.651076
188.9308 8.851960
189.4129 10.21819
189.8950 11.23280
190.3771 11.72616
190.8592 11.98358
191.3414 12.56147
191.8235 13.63762
192.3056 14.69830
192.7877 15.53930
193.2698 16.37424
193.7519 17.54243
194.2341 19.20162
194.7162 21.10504
195.1983 22.74942
195.6804 24.09681
196.1625 25.42362
196.6446 26.85364
197.1268 28.32654
197.6089 29.65432
198.0910 30.65946
198.5731 31.68456
199.0552 33.29689
199.5373 35.57312
200.0195 37.93585
200.5016 40.17639
200.9837 42.26622
201.4658 44.21951
201.9479 46.02181
202.4300 47.57670
202.9122 48.99202
203.3943 50.26260
203.8764 50.84443
204.3585 50.74422
204.8406 49.96556
205.3227 48.95042
205.8048 47.62521
206.2870 46.21672
206.7691 44.91768
207.2512 43.73564
207.7333 42.48707
208.2154 40.98185
208.6975 39.19847
209.1797 37.57441
209.6618 36.31085
210.1439 35.13966
210.6260 33.82979
211.1081 32.37437
211.5902 31.07635
212.0724 30.40765
212.5545 30.63251
213.0366 30.70622
213.5187 30.24513
214.0008 29.81378
214.4829 29.79249
214.9651 30.27092
215.4472 31.04306
215.9293 31.73955
216.4114 32.10326
216.8935 32.96820
217.3756 34.65621
217.8578 36.48869
218.3399 38.06212
218.8220 39.27746
219.3041 40.28198
219.7862 41.22846
220.2683 42.05228
220.7505 42.86353
221.2326 43.81831
221.7147 44.68249
222.1968 45.33789
222.6789 45.73514
223.1610 45.79856
223.6432 45.39157
224.1253 44.24131
224.6074 43.11116
225.0895 42.06630
225.5716 41.00758
226.0537 39.84787
226.5358 38.56477
227.0180 37.19706
227.5001 35.74844
227.9822 34.09526
228.4643 32.82676
228.9464 32.14396
229.4285 31.78915
229.9107 31.59179
230.3928 31.52358
230.8749 31.39945
231.3570 30.81686
231.8391 29.66719
232.3212 29.19176
232.8034 30.26962
233.2855 31.86832
233.7676 32.57692
234.2497 32.05037
234.7318 31.19677
235.2139 31.11203
235.6961 31.68840
236.1782 32.06714
236.6603 31.87659
237.1424 31.40707
237.6245 31.17251
238.1066 31.33353
238.5888 31.38351
239.0709 30.76275
239.5530 29.63251
240.0351 28.37390
240.5172 27.02090
240.9993 25.63706
241.4815 24.29675
241.9636 22.90845
242.4457 21.80906
242.9278 21.64278
243.4099 21.95141
243.8920 21.73905
244.3742 20.38217
244.8563 18.25374
245.3384 16.11341
245.8205 13.82803
246.3026 11.86006
246.7847 10.63087
247.2668 9.841661
247.7490 9.025617
248.2311 7.905630
248.7132 6.659177
249.1953 5.725575
249.6774 5.253553
250.1595 4.810160
250.6417 4.224473
251.1238 3.554683
251.6059 2.866377
252.0880 2.176948
252.5701 1.502376
253.0522 0.8479240
253.5344 0.1333140
254.0165 0.3752490
254.4986 0.4976500
254.9807 0.4467670
255.4628 0.4422490
255.9449 0.5738370
256.4271 0.8146360
256.9092 1.121116
257.3913 1.075393
257.8734 0.6361590
258.3555 0.2583670
258.8376 5.8940999E-02
259.3198 0.3503940
259.8019 0.6297560
260.2840 0.8143220
260.7661 0.6774890
261.2482 9.7485997E-02
261.7303 0.5810390
262.2125 0.4574580
262.6946 0.1707590
263.1767 0.1031640
263.6588 0.3703200
264.1409 0.7983400
264.6230 0.7160620
265.1052 0.3374070
265.5873 0.3511130
266.0694 0.5497670
266.5515 0.3749480
267.0336 0.9103320
267.5157 0.9434780
267.9979 0.6677070
268.4800 0.3359260
268.9621 0.1451020
269.4442 0.4670580
269.9263 0.5562250
270.4084 0.5757140
270.8906 0.5434140
271.3727 0.3495160
271.8548 0.2181400
272.3369 0.3367690
272.8190 0.1642560
273.3011 0.1089720
273.7833 6.1868001E-02
274.2654 0.3418250
274.7475 0.2602230
275.2296 1.9296000E-02
275.7117 0.1301070
276.1938 0.1305680
276.6760 7.7225000E-02
277.1581 5.1587000E-02
277.6402 0.4401990
278.1223 0.8950150
278.6044 1.037976
279.0865 0.9202480
279.5686 0.7506160
280.0508 0.6691900
280.5329 0.6714150
281.0150 1.027276
281.4971 2.091440
281.9792 3.073856
282.4613 3.618698
282.9435 3.841823
283.4256 4.077350
283.9077 4.560461
284.3898 5.235887
284.8719 5.580618
285.3540 5.151062
285.8362 4.935905
286.3183 5.408395
286.8004 6.255841
287.2825 6.884565
287.7646 6.971916
288.2467 6.691713
288.7289 6.645938
289.2110 6.833064
289.6931 7.208639
290.1752 7.966564
290.6573 8.872664
291.1394 9.557983
291.6216 9.871889
292.1037 10.01185
292.5858 10.38762
293.0679 11.15474
293.5500 11.86742
294.0321 12.35674
294.5143 12.82712
294.9964 13.57778
295.4785 14.69108
295.9606 15.86230
296.4427 16.63513
296.9248 16.80902
297.4070 17.18024
297.8891 17.98560
298.3712 18.86540
298.8533 19.47729
299.3354 19.78064
299.8175 20.02826
300.2997 20.53125
300.7818 21.38497
301.2639 21.78222
301.7460 21.42370
302.2281 20.82972
302.7102 20.24194
303.1924 19.71840
303.6745 19.38837
304.1566 19.43263
304.6387 19.80858
305.1208 19.74312
305.6029 18.85593
306.0851 17.92659
306.5672 17.46491
307.0493 17.33510
307.5314 16.91720
308.0135 15.78793
308.4956 14.16746
308.9778 13.13993
309.4599 13.03987
309.9420 13.01083
310.4241 12.85861
310.9062 12.61957
311.3883 12.36859
311.8705 12.13313
312.3526 11.87491
312.8347 11.52993
313.3168 11.06043
313.7989 10.63311
314.2810 10.22394
314.7632 9.857985
315.2453 9.614488
315.7274 9.525284
316.2095 9.551078
316.6916 9.696807
317.1737 9.969842
317.6559 10.07576
318.1380 9.923284
318.6201 9.667487
319.1022 9.410957
319.5843 9.102547
320.0664 8.902877
320.5485 8.980892
321.0306 9.391973
321.5128 9.438236
321.9949 8.745692
322.4770 8.055596
322.9591 7.875208
323.4412 8.074799
323.9233 8.186333
324.4055 7.946168
324.8876 7.402412
325.3697 7.066708
325.8518 7.119370
326.3339 7.205106
326.8160 7.201118
327.2982 7.092834
327.7803 6.871938
328.2624 6.499437
328.7445 6.087990
329.2266 5.965463
329.7087 6.378680
330.1909 6.552029
330.6730 6.187789
331.1551 5.573947
331.6372 5.014351
332.1193 4.594608
332.6014 4.345972
333.0836 4.328637
333.5657 4.684403
334.0478 4.761789
334.5299 4.213312
335.0120 3.581590
335.4941 3.419871
335.9763 3.718306
336.4584 3.986528
336.9405 3.724075
337.4226 2.860496
337.9047 2.354472
338.3868 2.442399
338.8690 2.622805
339.3511 2.690112
339.8332 2.633017
340.3153 2.485977
340.7974 2.265696
341.2795 1.978206
341.7617 1.657933
342.2438 1.075026
342.7259 0.7314930
343.2080 0.9815300
343.6901 1.483629
344.1722 1.698570
344.6544 1.399105
345.1365 0.8150060
345.6186 0.4173390
346.1007 0.2705800
346.5828 0.2450850
347.0649 0.5014500
347.5471 0.7863880
348.0292 0.8410840
348.5113 0.6336930
348.9934 0.3597330
349.4755 0.2598520
349.9576 0.3919540
350.4398 0.4615330
350.9219 0.4505770
351.4040 0.4039950
351.8861 0.3242050
352.3682 0.2258580
352.8503 0.1386340
353.3325 8.5405998E-02
353.8146 6.4423002E-02
354.2967 5.2119002E-02
354.7788 3.6109000E-02
355.2609 4.1783001E-02
355.7430 0.1136140
356.2252 0.2001370
356.7073 0.2457660
357.1894 0.2248680
357.6715 0.1197560
358.1536 0.1323730
358.6357 0.4612770
359.1179 0.8412540
359.5999 0.7949500
360.0821 0.5857130
360.5642 0.3933210
361.0463 0.2682060
361.5284 0.1948250
362.0105 0.1693600
362.4926 0.2308800
362.9748 0.1827310
363.4569 0.2095960
363.9390 3.5062000E-02
364.4211 0.2179700
364.9032 0.1416700
365.3853 0.5124850
365.8675 0.4798170
366.3496 8.2268998E-02
366.8317 0.3150420
367.3138 0.2718940
367.7959 0.6070570
368.2780 0.4063990
368.7602 2.3131000E-02
369.2423 0.2982640
369.7244 0.2496290
370.2065 2.6280999E-02
370.6886 6.0610998E-02
371.1707 9.5342003E-02
371.6529 0.1152120
372.1350 0.3209700
372.6171 0.7123530
373.0992 0.6359650
373.5813 7.9843998E-02
374.0634 0.4273320
374.5456 0.2918600
375.0277 0.3573970
375.5098 0.2922780
375.9919 0.1561020
376.4740 0.2589220
376.9561 5.1380000E-03
377.4383 0.4211860
377.9204 0.1614200
378.4025 0.3538790
378.8846 0.2476850
379.3667 4.6356998E-02
379.8488 0.3522910
380.3310 0.5761800
380.8131 0.2600260
381.2952 0.2080410
381.7773 0.4125510
382.2594 0.2159600
382.7415 0.1067930
383.2237 0.3182800
383.7058 0.4190470
384.1879 0.3042440
384.6700 0.1987550
385.1521 0.7827620
385.6342 1.202067
386.1164 1.454353
386.5985 1.587442
387.0806 1.477324
387.5627 1.278869
388.0448 1.442435
388.5269 2.123192
389.0091 2.761801
389.4912 2.866036
389.9733 2.619485
390.4554 2.402394
390.9375 2.336184
391.4196 2.285247
391.9018 2.045223
392.3839 1.653028
392.8660 1.471641
393.3481 1.721358
393.8302 2.221940
394.3123 2.628532
394.7945 2.954919
395.2766 3.166070
395.7587 3.196982
396.2408 3.116733
396.7229 3.010149
397.2050 2.886026
397.6872 2.815327
398.1693 2.896723
398.6514 3.146788
399.1335 3.355324
399.6156 3.392937
400.0977 3.483589
400.5798 3.911623
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402.0262 5.099854
402.5083 4.737901
402.9904 4.432496
403.4725 4.032142
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404.9189 4.722404
405.4010 5.006995
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406.3652 4.589724
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407.3295 3.591866
407.8116 3.400433
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409.7401 4.790851
410.2222 4.679037
410.7043 4.724605
411.1864 4.885947
411.6685 4.785235
412.1506 3.998448
412.6328 3.474718
413.1149 3.584893
413.5970 3.928727
414.0791 4.051246
414.5612 3.797098
415.0433 3.353456
415.5255 2.988442
416.0076 2.679980
416.4897 2.440758
416.9718 2.460242
417.4539 2.413382
417.9360 2.042392
418.4182 1.438296
418.9003 0.9369540
419.3824 0.7821470
419.8645 0.9181640
420.3466 1.130590
420.8287 1.497022
421.3109 1.792490
421.7930 1.715514
422.2751 1.594016
422.7572 1.885625
423.2393 2.109513
423.7214 3.088441
424.2036 3.761475
424.6857 4.122058
425.1678 3.261522
425.6499 4.015558
426.1320 4.123050
426.6141 4.197937
427.0963 5.154827
427.5784 4.457706
428.0605 5.419981
428.5426 5.730803
429.0247 6.334150
429.5068 6.286604
429.9890 7.162198
430.4711 7.910279
430.9532 8.328181
431.4353 8.432592
431.9174 7.258116
432.3995 7.701459
432.8817 7.500926
433.3638 7.279004
433.8459 7.953829
434.3280 7.667090
434.8101 7.213818
435.2922 7.842680
435.7744 8.167469
436.2565 8.179906
436.7386 6.943703
437.2207 7.320360
437.7028 7.032081
438.1849 6.703048
438.6671 7.295277
439.1492 6.242055
439.6313 6.832797
440.1134 6.767613
440.5955 7.000391
441.0776 6.571351
441.5598 6.337462
442.0418 6.761836
442.5240 6.839127
443.0061 5.875288
443.4882 5.562001
443.9703 5.561770
444.4524 6.008803
444.9345 6.139990
445.4167 5.705128
445.8988 5.196630
446.3809 4.702695
446.8630 4.273903
447.3451 3.983481
447.8272 3.901101
448.3094 3.923274
448.7915 3.785118
449.2736 3.443306
449.7557 3.062455
450.2378 2.606953
450.7199 2.174011
451.2021 1.816807
451.6842 1.546236
452.1663 1.380729
452.6484 1.435592
453.1305 1.631325
453.6126 1.564401
454.0948 1.084370
454.5769 0.6466980
455.0590 0.6611000
455.5411 0.9198640
456.0232 1.062472
456.5053 0.9366030
456.9875 0.7751210
457.4696 0.7447050
457.9517 0.8399540
458.4338 1.017747
458.9159 1.235191
459.3980 1.589086
459.8802 2.333875
460.3623 3.524410
460.8444 4.529446
461.3265 5.125057
461.8086 5.479112
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