#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:11:04 +0300 (Thu, 26 Apr 2018) $
#$Revision: 451 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000024.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_1000024
loop_
_publ_author_name
'Menchetti, S.'
'Bindi, L.'
'Bonazzi, P.'
'Olmi, F.'
_publ_section_title
;
 Disordered distribution of Cu in the crystal structure of leightonite,
 K2Ca2Cu(SO4)4.2H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              721
_journal_page_last               725
_journal_volume                  87
_journal_year                    2002
_chemical_compound_source        R050211
_chemical_formula_sum            'Ca Cu0.68 H4 K O9 S2'
_chemical_name_mineral           Leightonite
_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                 125.21
_cell_angle_gamma                90
_cell_length_a                   11.654
_cell_length_b                   7.497
_cell_length_c                   10.097
_cell_volume                     720.776
_exptl_crystal_density_diffrn    3.083
_cod_original_formula_sum        'K O9 Ca Cu.68 S2 H4'
_cod_database_code               9002725
_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            R050211.rod
_rod_data_source.block           3500000
_rod_database.code               1000024
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 9002725 COD http://www.crystallography.net/cod/9002725.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
139.1188 0.0000000E+00
139.6009 0.3033120
140.0831 0.1957530
140.5652 7.2400002E-03
141.0473 2.1478999E-02
141.5294 0.1480810
142.0115 0.2638110
142.4936 0.3392390
142.9758 0.4022960
143.4579 0.4984950
143.9400 0.6707730
144.4221 0.7943080
144.9042 0.8386730
145.3863 0.8439850
145.8685 0.8580510
146.3506 0.8810310
146.8327 0.9125920
147.3148 0.9591410
147.7969 1.027008
148.2790 1.085987
148.7612 1.127096
149.2433 1.153503
149.7254 1.179806
150.2075 1.226164
150.6896 1.275606
151.1717 1.299103
151.6539 1.285210
152.1360 1.337812
152.6181 1.438217
153.1002 1.546537
153.5823 1.617964
154.0644 1.628916
154.5466 1.594378
155.0287 1.527802
155.5108 1.452423
155.9929 1.376068
156.4750 1.290981
156.9571 1.193424
157.4393 1.090389
157.9214 0.9853970
158.4035 0.8803960
158.8856 0.7773110
159.3677 0.6771090
159.8498 0.5787580
160.3320 0.4780830
160.8141 0.3628410
161.2962 0.2599890
161.7783 0.1732010
162.2604 0.1008240
162.7425 4.2975999E-02
163.2247 4.4599999E-04
163.7068 2.8813999E-02
164.1889 6.6853002E-02
164.6710 0.1539900
165.1531 0.2079320
165.6352 0.1853600
166.1174 0.1082550
166.5995 2.8090000E-02
167.0816 1.9730000E-02
167.5637 3.3875000E-02
168.0458 2.9865000E-02
168.5279 2.5436001E-02
169.0101 6.7300998E-02
169.4922 6.1218001E-02
169.9743 6.8990001E-03
170.4564 7.9870000E-02
170.9385 0.2009320
171.4206 0.3501220
171.9028 0.4630510
172.3849 0.5033000
172.8670 0.5246870
173.3491 0.5811120
173.8312 0.6790450
174.3133 0.7880820
174.7955 0.8809870
175.2776 0.9656940
175.7597 1.061995
176.2418 1.196493
176.7239 1.342813
177.2060 1.432703
177.6882 1.419786
178.1703 1.445591
178.6524 1.630877
179.1345 1.917078
179.6166 2.185768
180.0987 2.380960
180.5809 2.506207
181.0630 2.574087
181.5451 2.510267
182.0272 2.479839
182.5093 2.566441
182.9914 2.739830
183.4736 2.929312
183.9557 3.080442
184.4378 3.191753
184.9199 3.310635
185.4020 3.417894
185.8841 3.551868
186.3663 3.749063
186.8484 3.990223
187.3305 4.221304
187.8126 4.390623
188.2947 4.486282
188.7768 4.589436
189.2590 4.725471
189.7411 4.846401
190.2232 4.904922
190.7053 4.916201
191.1874 4.950316
191.6695 5.091274
192.1517 5.390009
192.6338 5.580067
193.1159 5.600416
193.5980 5.575816
194.0801 5.568819
194.5622 5.592741
195.0444 5.646255
195.5265 5.736145
196.0086 5.881132
196.4907 5.974913
196.9728 5.980757
197.4549 5.962267
197.9371 5.992652
198.4192 6.084408
198.9013 6.206079
199.3834 6.344455
199.8655 6.502167
200.3476 6.563733
200.8298 6.410716
201.3119 6.184372
201.7940 6.104502
202.2761 6.236530
202.7582 6.391738
203.2403 6.341900
203.7225 6.131119
204.2046 5.927519
204.6867 5.780587
205.1688 5.682293
205.6509 5.618002
206.1330 5.599417
206.6152 5.589361
207.0973 5.567636
207.5794 5.532204
208.0615 5.473557
208.5436 5.381205
209.0257 5.259409
209.5079 5.127933
209.9900 4.984638
210.4721 4.834606
210.9542 4.684548
211.4363 4.532722
211.9184 4.373072
212.4006 4.192400
212.8827 3.992989
213.3648 3.824327
213.8469 3.714787
214.3290 3.610471
214.8111 3.475980
215.2933 3.325377
215.7754 3.197924
216.2575 3.133301
216.7396 3.135774
217.2217 3.118066
217.7038 3.088879
218.1859 3.028646
218.6681 2.890530
219.1502 2.707917
219.6323 2.563256
220.1144 2.540480
220.5965 2.657327
221.0786 2.698672
221.5608 2.594169
222.0429 2.484251
222.5250 2.417994
223.0071 2.391300
223.4892 2.374797
223.9713 2.341547
224.4535 2.287894
224.9356 2.249126
225.4177 2.211789
225.8998 2.193832
226.3819 2.210455
226.8640 2.253756
227.3462 2.306951
227.8283 2.361409
228.3104 2.418741
228.7925 2.417439
229.2746 2.246356
229.7567 2.124479
230.2389 2.208514
230.7210 2.464012
231.2031 2.715009
231.6852 2.817661
232.1673 2.769789
232.6494 2.764790
233.1316 2.847615
233.6137 2.930522
234.0958 2.940817
234.5779 2.891426
235.0600 2.876953
235.5421 2.985907
236.0243 3.195631
236.5064 3.304354
236.9885 3.225947
237.4706 3.120976
237.9527 3.097406
238.4348 3.153744
238.9170 3.224629
239.3991 3.269089
239.8812 3.285346
240.3633 3.293700
240.8454 3.284272
241.3275 3.278025
241.8097 3.287704
242.2918 3.313170
242.7739 3.360814
243.2560 3.465637
243.7381 3.582329
244.2202 3.620854
244.7024 3.532866
245.1845 3.430582
245.6666 3.427011
246.1487 3.522476
246.6308 3.589063
247.1129 3.558366
247.5951 3.474829
248.0772 3.383580
248.5593 3.278717
249.0414 3.188866
249.5235 3.160465
250.0056 3.201054
250.4878 3.218349
250.9699 3.145799
251.4520 3.051380
251.9341 2.999022
252.4162 2.999560
252.8983 3.016245
253.3805 3.009918
253.8626 2.979874
254.3447 2.946957
254.8268 2.906846
255.3089 2.868538
255.7910 2.837703
256.2732 2.815530
256.7553 2.803911
257.2374 2.805408
257.7195 2.824164
258.2016 2.858762
258.6837 2.904729
259.1659 2.960346
259.6480 3.040015
260.1301 3.140054
260.6122 3.227866
261.0943 3.261304
261.5764 3.231464
262.0586 3.215224
262.5407 3.217283
263.0228 3.240595
263.5049 3.293091
263.9870 3.365791
264.4691 3.436660
264.9513 3.488967
265.4334 3.527658
265.9155 3.540946
266.3976 3.500699
266.8797 3.459046
267.3618 3.435085
267.8440 3.427419
268.3261 3.426698
268.8082 3.430834
269.2903 3.440529
269.7724 3.410082
270.2545 3.286802
270.7367 3.169443
271.2188 3.079875
271.7009 3.018338
272.1830 2.982030
272.6651 2.974043
273.1472 2.990078
273.6294 2.974023
274.1115 2.921151
274.5936 2.839818
275.0757 2.695669
275.5578 2.528916
276.0399 2.403809
276.5221 2.361957
277.0042 2.389752
277.4863 2.406742
277.9684 2.459049
278.4505 2.445071
278.9326 2.289064
279.4148 2.075845
279.8969 1.927440
280.3790 1.905841
280.8611 1.960411
281.3432 1.925776
281.8253 1.696383
282.3075 1.498646
282.7896 1.335179
283.2717 1.213433
283.7538 1.161316
284.2359 1.186502
284.7180 1.236463
285.2002 1.197741
285.6823 0.9498310
286.1644 0.7781050
286.6465 0.7193830
287.1286 0.7127230
287.6107 0.7149700
288.0929 0.7112660
288.5750 0.6972320
289.0571 0.6636960
289.5392 0.5923810
290.0213 0.5460700
290.5034 0.5699800
290.9856 0.5858560
291.4677 0.5109890
291.9498 0.3483530
292.4319 0.1904140
292.9140 0.1517200
293.3961 0.2769410
293.8783 0.3273180
294.3604 0.2643030
294.8425 0.1700160
295.3246 6.8364002E-02
295.8067 2.6377000E-02
296.2888 8.2837000E-02
296.7710 6.7553997E-02
297.2531 2.4352999E-02
297.7352 8.3477996E-02
298.2173 9.1926999E-02
298.6994 9.2161998E-02
299.1815 0.1057890
299.6637 0.1268760
300.1458 0.1373880
300.6279 0.1259250
301.1100 9.3342997E-02
301.5921 4.3193001E-02
302.0742 6.5761998E-02
302.5564 0.1428430
303.0385 0.1434920
303.5206 9.7098999E-02
304.0027 5.7445001E-02
304.4848 5.1378999E-02
304.9669 6.6481002E-02
305.4491 6.4897999E-02
305.9312 1.6631000E-02
306.4133 6.9249999E-03
306.8954 2.5409000E-02
307.3775 7.9187997E-02
307.8596 0.1156190
308.3418 0.1217190
308.8239 0.1028350
309.3060 6.4383000E-02
309.7881 1.9757999E-02
310.2702 6.6422999E-02
310.7523 3.1881001E-02
311.2345 1.9037001E-02
311.7166 2.1942999E-02
312.1987 3.4619998E-02
312.6808 0.1160730
313.1629 0.1906660
313.6451 0.2677300
314.1272 0.2734320
314.6093 0.1332930
315.0914 1.7961999E-02
315.5735 8.5873999E-02
316.0556 7.2263002E-02
316.5378 3.1066000E-02
317.0199 2.7099999E-03
317.5020 2.8855000E-02
317.9841 5.2049000E-02
318.4662 9.0627000E-02
318.9483 0.1032710
319.4305 4.9144998E-02
319.9126 4.4921000E-02
320.3947 0.1133220
320.8768 0.1176810
321.3589 6.6976003E-02
321.8410 1.6910000E-03
322.3232 0.1131380
322.8053 0.1958840
323.2874 0.2205990
323.7695 0.2078720
324.2516 0.1790840
324.7337 0.1376930
325.2159 8.6620003E-02
325.6980 4.4532999E-02
326.1801 7.5699999E-03
326.6622 1.1115000E-02
327.1443 3.3640000E-03
327.6264 1.9408001E-02
328.1086 5.1362999E-02
328.5907 9.0705998E-02
329.0728 0.1251650
329.5549 0.1351970
330.0370 0.1028240
330.5191 0.1117250
331.0013 0.2044880
331.4834 0.2977530
331.9655 0.3322820
332.4476 0.3122920
332.9297 0.2837200
333.4118 0.2776320
333.8940 0.2901580
334.3761 0.3142350
334.8582 0.3754540
335.3403 0.4203180
335.8224 0.4164140
336.3045 0.3788750
336.7867 0.3388570
337.2688 0.3115510
337.7509 0.3025480
338.2330 0.3418380
338.7151 0.5213830
339.1972 0.6356670
339.6793 0.6169550
340.1614 0.5289780
340.6436 0.4473880
341.1257 0.4001600
341.6078 0.3787920
342.0899 0.3670710
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343.0541 0.3753960
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344.0184 0.3854920
344.5005 0.3921190
344.9826 0.4006270
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347.3932 0.3882820
347.8753 0.2846490
348.3574 0.3051750
348.8395 0.4160300
349.3217 0.5118350
349.8038 0.5126100
350.2859 0.4286960
350.7680 0.3803030
351.2501 0.4050540
351.7322 0.4258300
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360.8925 0.2455400
361.3746 0.1797360
361.8567 0.1350120
362.3388 0.1496190
362.8209 0.2114830
363.3030 0.2195170
363.7852 0.1167130
364.2673 3.5877001E-02
364.7494 3.7380001E-03
365.2315 4.0600002E-03
365.7136 2.4679000E-02
366.1957 6.2785998E-02
366.6779 0.1072520
367.1600 0.1328550
367.6421 0.1376600
368.1242 0.1330150
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369.0884 7.8849003E-02
369.5706 5.4659002E-02
370.0527 4.1777998E-02
370.5348 4.4709001E-02
371.0169 8.6787999E-02
371.4990 0.1746410
371.9811 0.1927410
372.4633 5.0482001E-02
372.9454 7.5212002E-02
373.4275 7.6387003E-02
373.9096 8.6629996E-03
374.3917 7.0359997E-02
374.8738 2.7194999E-02
375.3560 8.1882000E-02
375.8381 0.1285040
376.3202 8.2414001E-02
376.8023 4.4461999E-02
377.2844 6.7882001E-02
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378.7308 0.1947250
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380.6592 9.5078997E-02
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382.1056 0.1715160
382.5877 2.0917000E-02
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383.5519 0.1866130
384.0341 0.1914040
384.5162 0.1598910
384.9983 8.4144004E-02
385.4804 4.8730001E-03
385.9625 4.6948001E-02
386.4446 7.9838000E-02
386.9268 0.1095980
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387.8910 0.1929040
388.3731 0.1614670
388.8552 6.4616002E-02
389.3373 9.4290003E-03
389.8195 8.3600998E-02
390.3016 0.2017630
390.7837 0.1900400
391.2658 5.9800001E-04
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392.2300 0.2205350
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401.8724 1.483700
402.3545 1.609655
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403.3187 1.819015
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405.7293 2.273851
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406.6935 2.696961
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407.6578 2.876513
408.1399 2.977507
408.6220 3.183413
409.1041 3.374354
409.5862 3.506323
410.0684 3.614533
410.5505 3.751813
411.0326 3.939774
411.5147 4.155252
411.9968 4.353358
412.4789 4.522539
412.9611 4.698202
413.4432 4.876909
413.9253 5.066504
414.4074 5.278663
414.8895 5.509874
415.3716 5.739898
415.8538 5.948565
416.3359 6.137824
416.8180 6.342320
417.3001 6.578902
417.7822 6.806482
418.2643 6.993873
418.7465 7.169957
419.2286 7.376846
419.7107 7.634907
420.1928 7.916232
420.6749 8.177086
421.1570 8.412253
421.6392 8.668418
422.1213 8.997761
422.6034 9.314314
423.0855 9.530399
423.5676 9.654033
424.0497 9.795936
424.5319 10.05857
425.0140 10.39113
425.4961 10.64130
425.9782 10.77546
426.4603 10.90818
426.9424 11.12300
427.4246 11.39201
427.9067 11.66248
428.3888 11.91377
428.8709 12.17662
429.3530 12.49836
429.8351 12.85984
430.3173 13.16085
430.7994 13.33750
431.2815 13.47621
431.7636 13.73905
432.2457 14.13727
432.7278 14.50246
433.2100 14.73049
433.6921 14.94018
434.1742 15.27320
434.6563 15.73645
435.1384 16.21909
435.6205 16.62340
436.1027 16.95852
436.5848 17.38906
437.0669 17.86123
437.5490 18.47363
438.0311 19.30905
438.5132 20.29098
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