#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:30:48 +0300 (Thu, 24 May 2018) $
#$Revision: 713 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000219.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_1000219
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
_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            R060157.rod
_rod_data_source.block           3500000
_rod_database.code               1000219
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
145.7072 0.0000000E+00
146.1893 10.66382
146.6714 8.623840
147.1535 1.408691
147.6356 4.894897
148.1178 2.507141
148.5999 6.151917
149.0820 19.43457
149.5641 38.07434
150.0462 62.86023
150.5283 95.91479
151.0105 131.6139
151.4926 156.2800
151.9747 177.0914
152.4568 203.1217
152.9389 236.4979
153.4210 274.1005
153.9032 312.4370
154.3853 348.4257
154.8674 386.4844
155.3495 427.9354
155.8316 474.3291
156.3138 521.6394
156.7959 570.2910
157.2780 619.3804
157.7601 666.9808
158.2422 718.1996
158.7243 764.3779
159.2065 802.0986
159.6886 830.6371
160.1707 851.3240
160.6528 863.1138
161.1349 867.2686
161.6170 867.0469
162.0992 862.5737
162.5813 854.8123
163.0634 843.7275
163.5455 823.6710
164.0276 807.9215
164.5097 803.3098
164.9919 808.1868
165.4740 816.3491
165.9561 827.0437
166.4382 838.5767
166.9203 849.6925
167.4025 862.0962
167.8846 871.9133
168.3667 878.0898
168.8488 880.3451
169.3309 876.5581
169.8130 865.6775
170.2952 847.9302
170.7773 823.7506
171.2594 789.8669
171.7415 752.0551
172.2236 713.3231
172.7057 673.7954
173.1879 635.9038
173.6700 599.6298
174.1521 566.3375
174.6342 538.1710
175.1163 516.0089
175.5984 498.8230
176.0806 486.4037
176.5627 478.6752
177.0448 473.6008
177.5269 469.5303
178.0090 466.7566
178.4911 465.8236
178.9733 468.1176
179.4554 472.0890
179.9375 475.7062
180.4196 479.0281
180.9017 481.1866
181.3839 480.7120
181.8660 478.1744
182.3481 475.4366
182.8302 472.3055
183.3123 469.7334
183.7944 469.5508
184.2766 471.6229
184.7587 476.8201
185.2408 486.7323
185.7229 500.9591
186.2050 517.5402
186.6871 536.1012
187.1693 556.4220
187.6514 576.3115
188.1335 595.5214
188.6156 615.5699
189.0977 640.2225
189.5798 669.0950
190.0620 696.8243
190.5441 720.0221
191.0262 739.4167
191.5083 759.9180
191.9904 782.2433
192.4725 805.3323
192.9547 827.4727
193.4368 848.8049
193.9189 869.9791
194.4010 890.9812
194.8831 911.9124
195.3652 933.9814
195.8474 956.9291
196.3295 981.6083
196.8116 1010.295
197.2937 1043.186
197.7758 1077.235
198.2579 1110.009
198.7401 1141.428
199.2222 1175.507
199.7043 1213.137
200.1864 1252.267
200.6685 1289.770
201.1507 1326.271
201.6328 1357.194
202.1149 1379.943
202.5970 1394.410
203.0791 1403.056
203.5612 1403.499
204.0434 1397.553
204.5255 1383.322
205.0076 1360.689
205.4897 1330.382
205.9718 1291.357
206.4539 1242.227
206.9361 1192.974
207.4182 1144.080
207.9003 1095.691
208.3824 1046.099
208.8645 993.6406
209.3466 943.7311
209.8288 898.8055
210.3109 858.7662
210.7930 824.1251
211.2751 795.0074
211.7572 771.4689
212.2393 752.3026
212.7215 737.5081
213.2036 727.3220
213.6857 721.8639
214.1678 720.9067
214.6499 725.6846
215.1321 737.1208
215.6142 754.2902
216.0963 772.7491
216.5784 791.3713
217.0605 813.0435
217.5426 840.1575
218.0248 874.0038
218.5069 908.7927
218.9890 944.4616
219.4711 980.8036
219.9532 1018.005
220.4353 1059.664
220.9175 1096.456
221.3996 1123.125
221.8817 1138.693
222.3638 1146.363
222.8459 1146.671
223.3280 1139.334
223.8102 1122.856
224.2923 1094.521
224.7744 1060.724
225.2565 1024.708
225.7386 983.8923
226.2208 947.2811
226.7029 916.2404
227.1850 890.0969
227.6671 867.0101
228.1492 847.3024
228.6313 830.1785
229.1135 815.0210
229.5956 800.6862
230.0777 790.6019
230.5598 785.5798
231.0419 785.0544
231.5240 786.0704
232.0062 788.7626
232.4883 792.8412
232.9704 798.3283
233.4525 806.0020
233.9346 813.4740
234.4167 821.0607
234.8989 828.3675
235.3810 833.9332
235.8631 839.7322
236.3452 841.1611
236.8273 835.6398
237.3095 822.5549
237.7916 803.8489
238.2737 778.9256
238.7558 748.3052
239.2379 713.3719
239.7200 671.9149
240.2022 629.0575
240.6843 586.8162
241.1664 544.3361
241.6485 504.4392
242.1306 468.0457
242.6127 434.1670
243.0949 400.3231
243.5770 365.4865
244.0591 332.0055
244.5412 301.5423
245.0233 274.7480
245.5054 248.9976
245.9876 223.6953
246.4697 199.5535
246.9518 178.0383
247.4339 159.7322
247.9160 143.0750
248.3981 127.3873
248.8803 111.8140
249.3624 99.05450
249.8445 90.10297
250.3266 83.72552
250.8087 76.40363
251.2909 67.25360
251.7730 58.69348
252.2551 52.00879
252.7372 47.73187
253.2193 43.75903
253.7014 40.15729
254.1836 36.87964
254.6657 33.95898
255.1478 31.65411
255.6299 29.23999
256.1120 26.35931
256.5941 22.98346
257.0763 19.32391
257.5584 15.11707
258.0405 10.72809
258.5226 7.174377
259.0047 5.106812
259.4868 2.413940
259.9690 2.030457
260.4511 8.959717
260.9332 14.23059
261.4153 17.57880
261.8974 19.58826
262.3795 20.95270
262.8617 21.28540
263.3438 22.02765
263.8259 24.03308
264.3080 27.65405
264.7901 29.84753
265.2722 30.38422
265.7544 29.78247
266.2365 28.57025
266.7186 26.52472
267.2007 24.53601
267.6829 22.78601
268.1650 21.27252
268.6471 20.35248
269.1292 20.29337
269.6113 20.44980
270.0934 19.94794
270.5756 18.60034
271.0577 17.38950
271.5398 16.62820
272.0219 16.31354
272.5040 15.92221
272.9861 15.52176
273.4683 14.85602
273.9504 13.59702
274.4325 11.65497
274.9146 9.567413
275.3967 7.340912
275.8788 5.043823
276.3610 3.469940
276.8431 2.954407
277.3252 2.132172
277.8073 0.2524410
278.2894 4.261993
278.7715 9.218140
279.2537 15.35092
279.7358 22.27689
280.2179 28.10553
280.7000 32.50760
281.1821 37.39401
281.6642 44.84662
282.1464 54.89398
282.6285 64.01102
283.1106 71.10553
283.5927 77.34564
284.0748 86.33438
284.5569 98.38190
285.0391 110.5506
285.5212 120.3785
286.0033 128.1382
286.4854 137.2341
286.9675 148.3182
287.4496 160.5645
287.9318 172.1763
288.4139 183.2216
288.8960 194.7858
289.3781 207.9789
289.8602 222.5164
290.3424 237.0182
290.8245 251.4232
291.3066 265.6911
291.7887 279.2592
292.2708 292.2905
292.7530 305.9120
293.2351 320.6140
293.7172 336.3818
294.1993 352.7429
294.6814 369.7694
295.1635 387.4003
295.6457 405.6939
296.1278 424.5086
296.6099 443.1003
297.0920 460.6037
297.5741 477.5075
298.0562 495.3448
298.5384 514.2261
299.0205 531.2078
299.5026 543.0734
299.9847 550.5740
300.4668 556.0570
300.9489 561.0314
301.4311 564.1069
301.9132 563.4383
302.3953 559.0101
302.8774 551.0396
303.3595 538.0452
303.8416 521.8378
304.3238 505.1541
304.8059 489.5608
305.2880 473.7722
305.7701 456.3589
306.2522 437.4840
306.7343 419.3125
307.2165 402.9525
307.6986 387.9004
308.1807 373.3666
308.6628 358.7431
309.1449 345.1321
309.6270 333.6692
310.1092 323.7969
310.5913 314.1455
311.0734 303.0529
311.5555 292.2328
312.0376 283.2927
312.5197 276.5699
313.0019 271.4691
313.4840 268.3285
313.9661 266.5155
314.4482 264.6354
314.9304 262.0250
315.4125 259.1846
315.8946 256.2682
316.3767 253.2024
316.8588 250.8850
317.3409 249.9207
317.8231 249.5795
318.3052 248.6850
318.7873 247.2260
319.2694 245.6477
319.7515 244.0928
320.2336 242.5728
320.7158 241.4618
321.1979 241.5328
321.6800 241.6237
322.1621 240.6500
322.6442 237.6983
323.1263 234.6835
323.6085 232.4505
324.0906 230.9378
324.5727 228.5046
325.0548 224.6627
325.5369 219.9789
326.0190 214.7935
326.5012 208.5282
326.9833 202.3334
327.4654 196.8593
327.9475 191.7255
328.4296 185.3096
328.9117 176.1631
329.3939 166.9753
329.8760 158.7710
330.3581 152.0675
330.8402 145.3951
331.3223 138.8739
331.8044 132.3705
332.2866 125.5010
332.7687 117.7386
333.2508 110.4731
333.7329 104.2376
334.2150 99.24609
334.6971 93.76892
335.1793 87.45401
335.6614 81.08453
336.1435 75.73410
336.6256 71.63568
337.1077 67.91943
337.5899 64.47675
338.0720 61.19989
338.5541 57.88690
339.0362 54.55994
339.5183 51.13446
340.0005 47.27856
340.4826 42.70682
340.9647 39.28616
341.4468 37.58109
341.9289 37.11295
342.4110 36.30469
342.8932 35.12613
343.3753 33.80573
343.8574 32.44791
344.3395 31.04468
344.8216 29.73557
345.3037 28.51941
345.7859 27.40381
346.2680 26.59692
346.7501 26.04858
347.2322 25.11218
347.7143 22.74414
348.1964 19.65906
348.6786 18.46600
349.1607 19.49438
349.6428 20.96234
350.1249 21.03537
350.6070 19.93170
351.0891 18.30618
351.5713 15.92587
352.0534 13.44244
352.5355 11.95844
353.0176 11.45761
353.4997 11.05249
353.9818 10.19308
354.4640 8.954254
354.9461 7.380768
355.4282 5.163239
355.9103 3.052094
356.3924 1.796906
356.8745 1.248932
357.3567 0.8273320
357.8388 0.1785890
358.3209 0.4741820
358.8030 0.9586490
359.2851 1.267883
359.7672 1.330109
360.2494 0.9924620
360.7315 0.3842160
361.2136 0.2388610
361.6957 1.380859
362.1779 2.039063
362.6600 1.465637
363.1421 0.5773010
363.6242 2.401123
364.1063 3.867279
364.5884 4.726379
365.0706 4.717712
365.5527 2.469025
366.0348 0.7408450
366.5169 0.3498540
366.9990 1.233643
367.4811 2.085571
367.9633 2.998108
368.4454 3.703552
368.9275 4.046143
369.4096 3.949677
369.8917 3.595245
370.3738 2.684235
370.8560 1.519684
371.3381 1.005524
371.8202 1.548340
372.3023 2.159851
372.7844 2.290802
373.2665 1.512970
373.7487 2.232056
374.2308 5.587402
374.7129 9.289124
375.1950 9.883270
375.6771 6.206299
376.1592 3.111298
376.6414 1.998291
377.1235 2.653198
377.6056 2.842285
378.0877 2.469879
378.5698 1.913971
379.0519 1.524902
379.5341 1.313293
380.0162 0.8657530
380.4983 0.1068120
380.9804 0.9135440
381.4625 1.964691
381.9446 3.072968
382.4268 4.416931
382.9089 6.105042
383.3910 8.116821
383.8731 10.64636
384.3553 13.80893
384.8374 16.89917
385.3195 18.95645
385.8016 20.22867
386.2837 21.50528
386.7658 23.15710
387.2480 24.96060
387.7301 26.55292
388.2122 27.94556
388.6943 29.63480
389.1764 32.30975
389.6585 35.37387
390.1407 37.98364
390.6228 39.67004
391.1049 41.17941
391.5870 42.97888
392.0691 44.97479
392.5512 46.88583
393.0334 48.25604
393.5155 49.72717
393.9976 51.82999
394.4797 54.89197
394.9618 57.68649
395.4439 59.56805
395.9261 61.02866
396.4082 62.71323
396.8903 64.33902
397.3724 66.63757
397.8545 70.27524
398.3366 75.33459
398.8188 79.48395
399.3009 81.85016
399.7830 83.74780
400.2651 86.02710
400.7472 89.61847
401.2293 92.13879
401.7115 92.84113
402.1936 92.46454
402.6757 93.31006
403.1578 95.91284
403.6399 98.83362
404.1220 101.5764
404.6042 104.2501
405.0863 106.1842
405.5684 107.2087
406.0505 107.6801
406.5326 108.0516
407.0147 108.3603
407.4969 108.4886
407.9790 108.3917
408.4611 108.0826
408.9432 107.8397
409.4254 107.7258
409.9075 106.9033
410.3896 104.2875
410.8717 100.3073
411.3538 96.83832
411.8359 94.25293
412.3181 92.05408
412.8002 89.57599
413.2823 86.87848
413.7644 84.17560
414.2465 81.33698
414.7286 78.74414
415.2108 77.18689
415.6929 76.72595
416.1750 75.84149
416.6571 72.75208
417.1392 68.74133
417.6213 65.46863
418.1035 63.52740
418.5856 62.52167
419.0677 62.53125
419.5498 63.40997
420.0319 64.42572
420.5140 65.60681
420.9962 66.44489
421.4783 66.49426
421.9604 65.10120
422.4425 64.64435
422.9246 66.14484
423.4067 68.92212
423.8889 71.85986
424.3710 73.42548
424.8531 76.36401
425.3352 81.54028
425.8173 88.93884
426.2994 96.42499
426.7816 104.1160
427.2637 111.7792
427.7458 119.1774
428.2279 126.1636
428.7100 133.6949
429.1921 142.0817
429.6743 150.7015
430.1564 157.7414
430.6385 162.8889
431.1206 167.8110
431.6028 173.5178
432.0849 179.8207
432.5670 183.7892
433.0491 185.5289
433.5312 185.8007
434.0133 184.8777
434.4955 182.7150
434.9776 179.4474
435.4597 174.7415
435.9418 169.4926
436.4239 165.2900
436.9060 162.0602
437.3882 159.1359
437.8703 156.1682
438.3524 153.2245
438.8345 150.1907
439.3166 146.9224
439.7987 144.3992
440.2809 144.1445
440.7630 144.9976
441.2451 145.1512
441.7272 143.1821
442.2093 140.9637
442.6914 139.5533
443.1736 138.8358
443.6557 137.9678
444.1378 137.0504
444.6199 135.6127
445.1020 133.3837
445.5841 130.3683
446.0663 126.5342
446.5484 121.8278
447.0305 116.3260
447.5126 110.0773
447.9947 102.2568
448.4768 94.80835
448.9590 88.18988
449.4411 82.44006
449.9232 76.66046
450.4053 70.22412
450.8874 64.56201
451.3695 60.96252
451.8517 59.84009
452.3338 58.78766
452.8159 57.49457
453.2980 56.27557
453.7801 55.67719
454.2622 55.68939
454.7444 56.46356
455.2265 58.05896
455.7086 60.47919
456.1907 63.41101
456.6729 66.83966
457.1550 71.61188
457.6371 79.39532
458.1192 89.16840
458.6013 98.67773
459.0834 107.1990
459.5656 115.4124
460.0477 123.4000
460.5298 131.5626
461.0119 140.6251
461.4940 151.5064
461.9761 163.2980
462.4583 175.1161
462.9404 186.9279
463.4225 199.7900
463.9046 214.6850
464.3867 230.8711
464.8688 247.2255
465.3510 262.7105
465.8331 279.2467
466.3152 297.4954
466.7973 317.1224
467.2794 336.7576
467.7615 356.3513
468.2437 376.1401
468.7258 396.0916
469.2079 415.6129
469.6900 436.8589
470.1721 460.1993
470.6542 484.5456
471.1364 508.8982
471.6185 533.3398
472.1006 558.0499
472.5827 583.2594
473.0648 608.5974
473.5469 632.5690
474.0291 654.9411
474.5112 677.5837
474.9933 702.3137
475.4754 728.4566
475.9575 752.9633
476.4396 775.7259
476.9218 797.6801
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