#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:26:36 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1094 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100044.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_8100044
loop_
_publ_author_name
'Venetopoulos, C. C.'
'Rentzeperis, P. J.'
_publ_section_title
;
 Redetermination of the crystal structure of clinohedrite, CaZnSiO4*H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              377
_journal_page_last               392
_journal_volume                  144
_journal_year                    1976
_chemical_compound_source        R050416
_chemical_formula_sum            'Ca H2 O5 Si Zn'
_chemical_name_mineral           Clinohedrite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.26
_cell_angle_gamma                90
_cell_length_a                   5.090
_cell_length_b                   15.829
_cell_length_c                   5.386
_cell_volume                     422.379
_exptl_crystal_density_diffrn    3.390
_cod_original_formula_sum        'Ca Zn Si O5 H2'
_cod_database_code               9008260
_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            R050416.rod
_rod_data_source.block           3500000
_rod_database.code               8100044
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 9008260 COD http://www.crystallography.net/cod/9008260.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
112.2902 0.0000000E+00
112.7723 7.1396001E-02
113.2544 2.313789
113.7366 6.325157
114.2187 12.22448
114.7008 19.89619
115.1829 29.02717
115.6650 40.22278
116.1471 53.78064
116.6293 67.59336
117.1114 76.59293
117.5935 81.66656
118.0756 81.77015
118.5577 74.28370
119.0398 61.39568
119.5220 47.64423
120.0041 34.20275
120.4862 22.09628
120.9683 12.85640
121.4504 6.856422
121.9325 2.909599
122.4147 0.4053500
122.8968 0.6153790
123.3789 0.7371900
123.8610 0.1540070
124.3431 1.702454
124.8252 3.635750
125.3074 5.816795
125.7895 8.506554
126.2716 12.19218
126.7537 17.08511
127.2358 22.55761
127.7179 28.07452
128.2001 33.94279
128.6822 40.48590
129.1643 47.68717
129.6464 55.70435
130.1285 66.20528
130.6107 79.10545
131.0928 94.98315
131.5749 115.2965
132.0570 138.8777
132.5391 164.2479
133.0212 190.9196
133.5034 220.7189
133.9855 237.1942
134.4676 241.5866
134.9497 235.0991
135.4318 214.4349
135.9139 180.9176
136.3960 143.1180
136.8782 109.8031
137.3603 81.30925
137.8424 58.90364
138.3245 45.00497
138.8066 36.70371
139.2887 31.45259
139.7709 28.89352
140.2530 28.27586
140.7351 29.08359
141.2172 31.13763
141.6993 33.82200
142.1814 36.88363
142.6636 40.52540
143.1457 44.84211
143.6278 49.47131
144.1099 55.48377
144.5920 62.97321
145.0741 71.98542
145.5563 83.55484
146.0384 98.78097
146.5205 117.8064
147.0026 138.9561
147.4847 169.9648
147.9668 197.7963
148.4490 216.1846
148.9311 223.4999
149.4132 220.6760
149.8953 207.2406
150.3774 175.5186
150.8595 148.0324
151.3417 124.8388
151.8238 106.6002
152.3059 94.24538
152.7880 88.11556
153.2701 87.14937
153.7522 88.87079
154.2344 95.69844
154.7165 102.9239
155.1986 112.6519
155.6807 122.1270
156.1628 128.3038
156.6449 129.7406
157.1271 126.4983
157.6092 118.0241
158.0913 101.0751
158.5734 83.64716
159.0555 66.82269
159.5376 51.06944
160.0198 37.61535
160.5019 27.29787
160.9840 19.96632
161.4661 14.02129
161.9482 9.793015
162.4303 6.482109
162.9125 3.667599
163.3946 1.346367
163.8767 0.4570580
164.3588 1.498680
164.8409 2.023491
165.3230 2.464096
165.8052 2.893362
166.2873 3.258062
166.7694 3.493063
167.2515 3.608799
167.7336 3.564808
168.2157 3.249102
168.6979 2.799534
169.1800 2.370483
169.6621 2.046082
170.1442 1.663158
170.6263 1.131451
171.1084 0.3901860
171.5906 0.3943960
172.0727 1.069799
172.5548 1.762392
173.0369 2.621920
173.5190 3.706066
174.0011 5.039633
174.4833 6.838406
174.9654 9.533062
175.4475 12.32831
175.9296 15.01313
176.4117 17.67211
176.8938 20.52442
177.3760 23.75352
177.8581 27.37259
178.3402 30.84953
178.8223 35.00262
179.3044 38.25975
179.7865 40.31676
180.2687 41.02828
180.7508 40.08969
181.2329 37.11745
181.7150 31.88986
182.1971 26.65281
182.6792 20.84870
183.1614 15.48701
183.6435 11.12493
184.1256 7.800047
184.6077 5.244814
185.0898 3.311279
185.5719 2.081577
186.0541 1.099239
186.5362 0.4356100
187.0183 2.4574000E-02
187.5004 0.3839530
187.9825 0.6569520
188.4646 0.7897760
188.9468 0.6506020
189.4289 0.3022860
189.9110 1.0597000E-02
190.3931 0.2151320
190.8752 0.3581730
191.3573 0.5071300
191.8395 0.6641830
192.3216 0.8352530
192.8037 0.9740090
193.2858 1.120123
193.7679 1.387577
194.2500 1.875483
194.7322 2.528843
195.2143 3.185589
195.6964 3.865364
196.1785 4.502588
196.6606 4.996737
197.1427 5.422596
197.6249 5.943239
198.1070 6.681963
198.5891 7.622538
199.0712 8.585131
199.5533 9.490131
200.0354 10.52745
200.5176 11.80797
200.9997 13.26911
201.4818 14.76962
201.9639 16.18887
202.4460 17.52369
202.9281 18.90883
203.4103 20.45143
203.8924 21.93885
204.3745 23.24143
204.8566 24.42525
205.3387 25.61828
205.8208 26.91378
206.3030 28.30153
206.7851 29.95800
207.2672 31.79206
207.7493 33.93720
208.2314 36.38110
208.7135 39.16568
209.1957 42.39664
209.6778 46.19534
210.1599 50.61709
210.6420 55.20889
211.1241 60.11447
211.6062 65.01201
212.0884 70.06694
212.5705 75.07978
213.0526 79.41849
213.5347 82.51231
214.0168 84.19156
214.4989 85.29948
214.9811 85.20638
215.4632 85.08247
215.9453 85.37462
216.4274 86.21247
216.9095 88.01761
217.3916 91.09486
217.8737 95.66172
218.3559 101.5189
218.8380 108.6113
219.3201 117.0798
219.8022 127.6334
220.2843 140.3102
220.7664 153.2520
221.2486 166.1567
221.7307 178.1877
222.2128 185.7681
222.6949 187.9027
223.1770 185.6269
223.6591 179.1887
224.1413 168.1969
224.6234 155.9898
225.1055 144.3219
225.5876 133.2098
226.0697 122.8148
226.5518 113.0071
227.0340 104.0811
227.5161 96.46496
227.9982 90.16307
228.4803 85.21830
228.9624 81.77016
229.4445 79.65586
229.9267 78.88156
230.4088 79.63891
230.8909 81.59453
231.3730 84.33741
231.8551 88.27900
232.3372 91.94013
232.8194 94.95189
233.3015 97.32105
233.7836 99.03921
234.2657 100.1207
234.7478 100.5232
235.2299 100.1624
235.7121 99.05711
236.1942 97.02990
236.6763 93.58383
237.1584 89.53864
237.6405 85.59567
238.1227 81.97385
238.6048 78.85920
239.0869 76.69353
239.5690 75.42443
240.0511 75.36754
240.5332 76.22733
241.0154 78.22713
241.4975 81.54579
241.9796 86.24393
242.4617 92.36705
242.9438 99.97262
243.4259 109.3139
243.9081 120.0800
244.3902 132.4977
244.8723 145.9194
245.3544 160.4963
245.8365 176.2708
246.3186 191.6571
246.8008 203.2853
247.2829 211.0277
247.7650 214.2343
248.2471 212.0371
248.7292 206.1752
249.2113 197.5081
249.6935 186.4906
250.1756 174.1864
250.6577 162.6078
251.1398 151.6933
251.6219 141.8839
252.1040 133.2022
252.5862 125.6507
253.0683 119.2340
253.5504 113.9799
254.0325 109.8788
254.5146 106.9705
254.9967 105.8445
255.4789 105.0539
255.9610 105.2186
256.4431 105.3696
256.9252 104.7366
257.4073 103.1215
257.8894 100.6947
258.3716 97.64606
258.8537 93.76669
259.3358 89.63235
259.8179 84.75468
260.3000 79.89745
260.7821 75.57619
261.2643 71.90277
261.7464 68.97239
262.2285 66.89826
262.7106 65.82890
263.1927 65.33412
263.6748 65.32137
264.1570 65.94042
264.6391 67.50731
265.1212 70.00609
265.6033 72.87768
266.0854 75.83910
266.5675 78.83169
267.0497 80.63577
267.5318 81.52039
268.0139 80.99404
268.4960 78.50555
268.9781 74.06499
269.4602 68.25762
269.9424 61.06719
270.4245 52.72166
270.9066 45.07947
271.3887 38.13554
271.8708 31.92178
272.3529 26.47039
272.8351 21.77056
273.3172 17.88663
273.7993 15.00954
274.2814 13.01511
274.7635 11.17752
275.2456 9.432861
275.7278 7.912674
276.2099 6.777962
276.6920 5.996046
277.1741 5.295189
277.6562 4.534313
278.1383 3.803246
278.6205 3.262228
279.1026 2.951305
279.5847 2.733187
280.0668 2.487282
280.5489 2.238001
281.0310 2.140564
281.5132 2.273447
281.9953 2.574390
282.4774 2.931986
282.9595 3.349165
283.4416 3.800358
283.9237 4.207729
284.4059 4.616362
284.8880 5.237370
285.3701 6.171383
285.8522 7.275421
286.3343 8.357380
286.8164 9.420219
287.2986 10.61794
287.7807 12.06279
288.2628 13.71384
288.7449 15.46292
289.2270 17.40760
289.7091 19.24735
290.1913 20.84983
290.6734 22.19868
291.1555 23.20582
291.6376 23.95239
292.1197 24.31317
292.6018 23.95137
293.0840 22.75064
293.5661 21.03581
294.0482 18.79886
294.5303 16.25365
295.0124 13.72237
295.4945 11.22331
295.9767 8.889183
296.4588 7.023455
296.9409 5.736584
297.4230 4.537821
297.9051 3.011755
298.3872 1.461689
298.8694 0.2876760
299.3515 0.3159960
299.8336 0.6427400
300.3157 1.108105
300.7978 1.764511
301.2799 2.254768
301.7621 2.257673
302.2442 2.123493
302.7263 2.196465
303.2084 2.572796
303.6905 2.948383
304.1726 2.961391
304.6548 2.593380
305.1369 2.309490
305.6190 2.323036
306.1011 2.375786
306.5832 2.300381
307.0653 2.082088
307.5475 1.730213
308.0296 1.211451
308.5117 0.5395150
308.9938 0.1292250
309.4759 0.7395080
309.9580 1.389584
310.4402 2.104025
310.9223 2.893734
311.4044 3.799768
311.8865 4.912552
312.3686 6.173946
312.8507 7.322496
313.3329 8.234756
313.8150 9.248039
314.2971 10.63204
314.7792 12.23043
315.2613 13.77538
315.7434 15.18854
316.2256 16.45261
316.7077 17.57212
317.1898 18.62787
317.6719 19.32348
318.1540 19.44537
318.6361 19.18682
319.1183 18.66652
319.6004 17.85204
320.0825 16.96993
320.5646 16.33097
321.0467 15.96524
321.5288 15.65377
322.0110 15.42241
322.4931 15.15908
322.9752 14.77664
323.4573 14.26253
323.9394 13.65408
324.4215 12.97372
324.9037 12.22624
325.3858 11.43188
325.8679 10.59856
326.3500 9.708893
326.8321 8.700834
327.3142 7.602505
327.7964 6.585754
328.2785 5.768921
328.7606 5.132294
329.2427 4.567690
329.7248 4.053377
330.2069 3.651335
330.6891 3.410021
331.1712 3.293161
331.6533 3.227858
332.1354 3.170088
332.6175 3.148973
333.0996 3.235996
333.5818 3.456377
334.0639 3.705120
334.5460 3.924385
335.0281 4.143785
335.5102 4.386820
335.9923 4.642456
336.4745 4.965912
336.9566 5.387962
337.4387 5.899616
337.9208 6.648016
338.4029 7.901903
338.8850 9.263754
339.3671 10.28131
339.8492 10.89725
340.3314 11.55476
340.8135 12.56222
341.2956 13.90055
341.7777 15.41675
342.2598 17.14365
342.7419 18.96779
343.2241 20.74392
343.7062 22.50529
344.1883 24.40528
344.6704 26.64383
345.1525 29.05288
345.6346 31.28827
346.1168 33.33536
346.5989 35.19054
347.0810 36.74019
347.5631 38.09269
348.0452 39.44174
348.5273 40.98579
349.0095 42.41206
349.4916 43.38420
349.9737 43.89664
350.4558 44.07108
350.9379 43.92846
351.4200 43.46051
351.9022 42.68171
352.3843 41.51868
352.8664 40.25632
353.3485 39.05099
353.8306 37.89825
354.3127 36.77625
354.7949 35.65808
355.2770 34.59807
355.7591 33.54987
356.2412 32.49589
356.7233 31.85946
357.2054 32.03248
357.6876 32.62548
358.1697 33.02181
358.6518 33.11871
359.1339 33.11811
359.6160 33.21419
360.0981 33.39424
360.5803 33.53037
361.0624 33.70792
361.5445 33.73002
362.0266 33.42941
362.5087 32.84816
362.9908 32.19087
363.4730 31.66576
363.9551 31.03677
364.4372 29.62476
364.9193 27.01941
365.4014 24.42789
365.8835 22.33446
366.3657 20.62398
366.8478 19.03644
367.3299 17.47786
367.8120 16.00520
368.2941 14.69449
368.7762 13.52638
369.2584 12.58128
369.7405 12.03952
370.2226 11.63488
370.7047 11.06732
371.1868 10.30762
371.6689 9.611471
372.1511 9.204710
372.6332 9.106739
373.1153 9.081917
373.5974 9.095694
374.0795 9.228977
374.5616 9.563915
375.0438 10.04258
375.5259 10.51096
376.0080 10.86957
376.4901 11.19120
376.9722 11.74043
377.4543 12.49720
377.9365 13.49139
378.4186 14.94384
378.9007 16.54663
379.3828 17.90054
379.8649 18.90838
380.3470 19.82925
380.8292 21.01472
381.3113 22.51636
381.7934 24.20179
382.2755 26.17561
382.7576 28.22082
383.2397 30.21422
383.7219 32.16211
384.2040 34.07751
384.6861 35.92558
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385.6503 39.98081
386.1324 42.97789
386.6146 46.10000
387.0967 49.20216
387.5788 52.37749
388.0609 55.73948
388.5430 59.32605
389.0251 63.16383
389.5073 67.30638
389.9894 71.66732
390.4715 76.58342
390.9536 82.18299
391.4357 88.14991
391.9178 94.31805
392.4000 100.6578
392.8821 107.2709
393.3642 114.3340
393.8463 121.8842
394.3284 129.3055
394.8105 136.8832
395.2927 144.0327
395.7748 150.8691
396.2569 157.0993
396.7390 162.4318
397.2211 166.8344
397.7032 169.9986
398.1854 171.2731
398.6675 170.6900
399.1496 168.0855
399.6317 162.6780
400.1138 155.6433
400.5959 147.4769
401.0781 138.3121
401.5602 128.7395
402.0423 119.1621
402.5244 109.6280
403.0065 100.4099
403.4886 91.41405
403.9708 83.02840
404.4529 75.42730
404.9350 68.56617
405.4171 62.29840
405.8992 56.60494
406.3813 51.48681
406.8635 46.96906
407.3456 43.07553
407.8277 39.50942
408.3098 36.11541
408.7919 32.95272
409.2740 30.11369
409.7562 27.64469
410.2383 25.36465
410.7204 23.12347
411.2025 20.96764
411.6846 18.99899
412.1667 17.22524
412.6489 15.66950
413.1310 14.43847
413.6131 13.51260
414.0952 12.57993
414.5773 11.52041
415.0594 10.47546
415.5416 9.587509
416.0237 8.855452
416.5058 8.192446
416.9879 7.547253
417.4700 6.923946
417.9521 6.341986
418.4343 5.792595
418.9164 5.286573
419.3985 4.816389
419.8806 4.393572
420.3627 4.062498
420.8448 3.834465
421.3270 3.627495
421.8091 3.311914
422.2912 2.823376
422.7733 2.415545
423.2554 2.087921
423.7375 1.834267
424.2197 1.708572
424.7018 1.665798
425.1839 1.581482
425.6660 1.362118
426.1481 1.029232
426.6302 0.7169300
427.1124 0.3592800
427.5945 0.1174580
428.0766 6.9362998E-02
428.5587 0.1149650
429.0408 0.1779630
429.5229 0.2277790
430.0051 0.2331160
430.4872 0.1251790
430.9693 0.1420360
431.4514 0.3265270
431.9335 0.3145540
432.4156 0.3141800
432.8978 0.4376680
433.3799 0.6431640
433.8620 0.8128070
434.3441 0.8582920
434.8262 0.8284880
435.3083 0.8814570
435.7905 1.071444
436.2726 1.192373
436.7547 1.120215
437.2368 0.9722580
437.7189 0.8342970
438.2010 0.7203270
438.6832 0.6401230
439.1653 0.6239170
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