#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:29:02 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1134 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100053.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_8100053
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        R120105
_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            R120105.rod
_rod_data_source.block           3500000
_rod_database.code               8100053
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
103.7346 0.0000000E+00
104.2167 4.097900
104.6988 12.29730
105.1810 21.81036
105.6631 29.38440
106.1452 31.55835
106.6273 30.63501
107.1094 32.79565
107.5915 27.87143
108.0737 19.47754
108.5558 11.91965
109.0379 6.102417
109.5200 1.960419
110.0021 0.6882630
110.4842 2.103180
110.9664 0.3432310
111.4485 5.143524
111.9306 13.57697
112.4127 25.78433
112.8948 40.67462
113.3769 55.72775
113.8591 68.05542
114.3412 76.93915
114.8233 84.22626
115.3054 91.32336
115.7875 96.44409
116.2696 97.81628
116.7517 94.78326
117.2339 88.00690
117.7160 78.27298
118.1981 64.34573
118.6802 51.15454
119.1623 39.50430
119.6444 29.46982
120.1266 21.44565
120.6087 15.83060
121.0908 12.76584
121.5729 11.90210
122.0550 13.50766
122.5371 16.63626
123.0193 20.49582
123.5014 25.03479
123.9835 29.88989
124.4656 36.09717
124.9477 42.29028
125.4298 46.88919
125.9120 48.72122
126.3941 49.19553
126.8762 51.66647
127.3583 56.40652
127.8404 63.27539
128.3225 72.17630
128.8047 82.75665
129.2868 94.74878
129.7689 108.2651
130.2510 123.1192
130.7331 136.5620
131.2152 152.5697
131.6974 164.0444
132.1795 170.1425
132.6616 170.3299
133.1437 164.2847
133.6258 151.8744
134.1079 131.5185
134.5901 112.2121
135.0722 92.04510
135.5543 73.34579
136.0364 57.88748
136.5185 46.24701
137.0006 37.56665
137.4828 31.32990
137.9649 27.98962
138.4470 25.30841
138.9291 23.64917
139.4112 22.59952
139.8933 21.42026
140.3755 19.82394
140.8576 18.63565
141.3397 18.98572
141.8218 20.67429
142.3039 23.22784
142.7860 26.98318
143.2681 31.57904
143.7503 35.95306
144.2324 40.10056
144.7145 43.40701
145.1966 45.53308
145.6787 46.48138
146.1608 46.72946
146.6430 46.16400
147.1251 44.60895
147.6072 44.20285
148.0893 45.72415
148.5714 48.34659
149.0535 51.55426
149.5357 55.32172
150.0178 60.18854
150.4999 67.00980
150.9820 76.55853
151.4641 86.65994
151.9462 98.05475
152.4284 109.2738
152.9105 120.1442
153.3926 130.4413
153.8747 138.7662
154.3568 141.5208
154.8389 136.4367
155.3211 127.3903
155.8032 112.5562
156.2853 94.54062
156.7674 75.86371
157.2495 57.61496
157.7316 40.29483
158.2138 26.34332
158.6959 16.49258
159.1780 8.536346
159.6601 2.410065
160.1422 2.126343
160.6243 5.480804
161.1065 7.693207
161.5886 7.970398
162.0707 8.255035
162.5528 8.700409
163.0349 9.024567
163.5170 9.088715
163.9991 8.894562
164.4813 8.454651
164.9634 7.768494
165.4455 6.786285
165.9276 5.548676
166.4097 4.072937
166.8918 2.332550
167.3740 0.1927800
167.8561 2.389771
168.3382 4.934845
168.8203 7.324951
169.3024 9.702148
169.7845 12.14087
170.2667 14.46045
170.7488 16.93430
171.2309 20.26898
171.7130 24.60034
172.1951 29.66953
172.6772 35.66006
173.1594 42.14743
173.6415 48.62231
174.1236 54.88232
174.6057 60.85962
175.0878 66.04855
175.5699 70.16315
176.0521 73.68933
176.5342 76.61575
177.0163 79.07593
177.4984 81.22250
177.9805 83.17145
178.4626 84.93414
178.9448 86.39447
179.4269 89.45477
179.9090 90.42703
180.3911 87.99603
180.8732 82.44153
181.3553 74.58023
181.8375 64.82071
182.3196 52.82516
182.8017 42.42670
183.2838 33.25818
183.7659 25.53107
184.2480 19.64804
184.7301 15.46802
185.2123 12.38547
185.6944 9.982330
186.1765 8.374420
186.6586 6.755554
187.1407 4.711731
187.6228 2.955505
188.1050 2.153030
188.5871 2.353317
189.0692 2.875610
189.5513 3.101746
190.0334 3.033646
190.5155 3.028564
190.9977 3.144058
191.4798 3.334717
191.9619 3.484543
192.4440 3.539932
192.9261 3.790283
193.4082 4.837387
193.8904 6.406082
194.3725 7.543594
194.8546 7.567993
195.3367 7.068726
195.8188 7.197205
196.3009 8.128967
196.7831 9.530914
197.2652 11.26802
197.7473 13.25505
198.2294 15.26263
198.7115 17.08582
199.1936 18.83566
199.6758 20.94641
200.1579 23.61458
200.6400 26.44572
201.1221 29.18582
201.6042 31.87630
202.0863 34.60220
202.5685 37.44353
203.0506 40.38870
203.5327 43.24254
204.0148 45.75969
204.4969 48.42863
204.9790 51.30103
205.4612 54.44122
205.9433 57.99164
206.4254 62.11858
206.9075 66.85576
207.3896 71.55737
207.8717 75.54951
208.3539 80.12988
208.8360 85.74963
209.3181 92.33305
209.8002 99.53568
210.2823 107.0244
210.7644 114.6664
211.2466 123.4509
211.7287 132.7538
212.2108 143.5858
212.6929 155.9991
213.1750 170.2441
213.6571 186.9318
214.1393 206.5954
214.6214 229.3614
215.1035 255.1316
215.5856 282.4113
216.0677 313.1213
216.5498 349.0459
217.0320 389.6137
217.5141 433.7323
217.9962 481.6133
218.4783 534.5579
218.9604 574.0229
219.4425 606.7690
219.9247 623.1448
220.4068 614.3588
220.8889 581.5522
221.3710 534.6422
221.8531 478.9529
222.3352 414.0156
222.8174 357.4913
223.2995 310.5987
223.7816 270.9441
224.2637 238.1140
224.7458 211.7680
225.2279 189.4939
225.7100 169.7131
226.1922 152.6785
226.6743 138.1116
227.1564 126.7513
227.6385 117.4203
228.1206 109.3513
228.6027 102.5179
229.0849 96.81424
229.5670 92.78384
230.0491 89.91737
230.5312 86.74373
231.0133 82.74101
231.4954 78.48869
231.9776 74.56094
232.4597 70.95114
232.9418 67.72543
233.4239 65.31979
233.9060 63.25197
234.3881 60.71353
234.8703 57.01468
235.3524 53.17223
235.8345 50.66876
236.3166 49.75002
236.7987 49.09744
237.2808 47.99710
237.7630 46.78738
238.2451 45.82037
238.7272 45.17212
239.2093 44.85938
239.6914 44.78586
240.1735 44.74821
240.6557 45.64647
241.1378 48.06215
241.6199 51.38626
242.1020 55.17300
242.5841 59.29065
243.0662 63.74875
243.5484 68.69354
244.0305 74.44006
244.5126 79.79175
244.9947 84.81633
245.4768 89.14044
245.9589 92.28177
246.4410 94.06250
246.9232 94.98393
247.4053 95.92429
247.8874 97.03700
248.3695 97.75409
248.8516 97.72481
249.3337 97.46516
249.8159 97.24911
250.2980 97.17789
250.7801 97.39581
251.2622 98.25703
251.7443 100.2206
252.2264 101.7789
252.7086 102.9136
253.1907 103.5835
253.6728 103.4654
254.1549 102.5924
254.6370 101.6926
255.1191 102.0919
255.6013 105.0941
256.0834 106.5126
256.5655 106.0794
257.0476 104.5335
257.5297 102.1324
258.0118 99.03433
258.4940 95.49335
258.9761 91.82968
259.4582 88.01961
259.9403 84.12321
260.4224 79.66101
260.9045 75.43800
261.3867 71.86499
261.8688 69.02005
262.3509 66.90283
262.8330 65.59619
263.3151 65.48247
263.7972 64.77625
264.2794 63.83160
264.7615 62.15250
265.2436 59.15921
265.7257 55.04509
266.2078 50.63129
266.6899 46.70670
267.1721 43.36472
267.6542 40.01891
268.1363 36.25040
268.6184 32.84528
269.1005 30.29417
269.5826 28.51721
270.0648 27.10541
270.5469 25.74060
271.0290 24.41780
271.5111 23.28813
271.9932 22.04996
272.4753 21.23206
272.9575 21.29842
273.4396 22.02255
273.9217 22.79837
274.4038 23.23073
274.8859 23.33388
275.3680 23.38152
275.8501 23.37039
276.3322 23.32216
276.8144 23.22079
277.2965 23.09155
277.7786 22.97034
278.2607 22.86104
278.7428 22.78778
279.2249 22.88112
279.7071 23.03821
280.1892 23.40785
280.6713 23.93449
281.1534 24.70851
281.6355 25.91222
282.1176 27.64182
282.5998 29.82201
283.0819 32.26620
283.5640 34.98091
284.0461 37.82614
284.5282 40.66110
285.0103 43.63200
285.4925 47.03073
285.9746 50.99152
286.4567 55.18568
286.9388 59.14619
287.4209 62.90044
287.9030 66.42215
288.3852 69.91675
288.8673 73.06850
289.3494 75.41843
289.8315 76.85355
290.3136 77.70772
290.7957 78.38159
291.2779 78.90515
291.7600 78.90100
292.2421 78.16165
292.7242 76.96352
293.2063 75.56180
293.6884 73.98552
294.1706 72.18195
294.6527 70.13135
295.1348 67.78799
295.6169 65.00473
296.0990 61.46460
296.5811 57.71219
297.0633 54.13664
297.5454 50.76328
298.0275 47.40063
298.5096 43.81635
298.9917 40.15054
299.4738 37.06502
299.9560 35.11980
300.4381 33.26222
300.9202 30.71375
301.4023 27.64288
301.8844 24.79671
302.3665 22.53996
302.8487 20.80486
303.3308 19.28343
303.8129 17.92580
304.2950 16.80748
304.7771 16.09941
305.2592 15.66507
305.7414 15.11699
306.2235 14.25624
306.7056 13.31682
307.1877 12.71761
307.6698 12.37508
308.1519 12.47386
308.6341 13.35980
309.1162 14.66916
309.5983 15.71835
310.0804 16.27916
310.5625 16.77815
311.0446 17.75064
311.5268 19.17006
312.0089 20.93521
312.4910 23.28221
312.9731 25.84682
313.4552 28.42679
313.9373 31.01291
314.4195 33.01941
314.9016 33.91464
315.3837 33.66254
315.8658 32.57903
316.3479 30.44119
316.8300 27.64980
317.3121 24.18831
317.7943 20.14223
318.2764 16.45413
318.7585 13.75244
319.2406 11.97952
319.7227 10.41626
320.2048 9.316650
320.6870 8.161224
321.1691 6.471619
321.6512 4.442963
322.1333 2.740753
322.6154 1.708771
323.0975 1.176727
323.5797 0.7335820
324.0618 0.3504030
324.5439 8.4853999E-02
325.0260 7.7591002E-02
325.5081 0.1847840
325.9902 0.1289670
326.4724 0.1838070
326.9545 0.6627200
327.4366 1.241287
327.9187 1.983200
328.4008 2.482040
328.8829 2.478867
329.3651 2.276474
329.8472 2.205887
330.3293 2.324646
330.8114 2.562759
331.2935 2.909149
331.7756 3.373138
332.2578 3.625656
332.7399 3.487518
333.2220 3.261734
333.7041 3.170609
334.1862 3.210770
334.6683 3.263153
335.1505 3.254288
335.6326 3.183533
336.1147 3.065521
336.5968 2.963654
337.0789 2.757309
337.5610 2.288193
338.0432 1.670731
338.5253 1.161835
339.0074 0.8690030
339.4895 0.7797390
339.9716 0.9180450
340.4537 1.557175
340.9359 1.899994
341.4180 1.605362
341.9001 1.000031
342.3822 0.5216060
342.8643 0.2959590
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343.8286 0.3469090
344.3107 1.263321
344.7928 1.911072
345.2749 2.008850
345.7570 2.025406
346.2391 2.373840
346.7213 3.052856
347.2034 3.754272
347.6855 4.229874
348.1676 4.475113
348.6497 4.405884
349.1318 3.528656
349.6140 2.885101
350.0961 3.245590
350.5782 4.205673
351.0603 4.737106
351.5424 4.181931
352.0245 2.870956
352.5067 2.227371
352.9888 2.954895
353.4709 3.475616
353.9530 3.344360
354.4351 3.008316
354.9172 3.037582
355.3994 3.623138
355.8815 4.461380
356.3636 5.053757
356.8457 5.361771
357.3278 5.450531
357.8099 4.945633
358.2920 4.517441
358.7741 4.744965
359.2563 5.592178
359.7384 6.509491
360.2205 6.917526
360.7026 6.714554
361.1847 6.998535
361.6668 8.262344
362.1490 9.467300
362.6311 10.22475
363.1132 10.67343
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364.0774 11.60344
364.5595 12.25305
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366.0059 15.50250
366.4880 16.97240
366.9701 18.57076
367.4522 20.25810
367.9344 22.01257
368.4165 23.81569
368.8986 25.63921
369.3807 27.45920
369.8628 29.36455
370.3449 31.17970
370.8271 33.22095
371.3092 35.82384
371.7913 38.88182
372.2734 41.98723
372.7555 44.83160
373.2376 47.41370
373.7198 49.64326
374.2019 51.57300
374.6840 53.05000
375.1661 54.17064
375.6482 54.79405
376.1303 54.65843
376.6125 53.56581
377.0946 51.82002
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378.0588 47.86864
378.5409 46.18066
379.0230 45.06476
379.5052 44.44975
379.9873 44.36179
380.4694 44.80101
380.9515 45.63222
381.4336 46.72975
381.9157 48.09959
382.3979 49.78337
382.8800 51.62624
383.3621 54.03630
383.8442 57.29210
384.3263 61.26050
384.8084 65.55510
385.2906 69.89383
385.7727 74.38586
386.2548 79.33087
386.7369 84.78513
387.2190 90.56372
387.7011 96.24658
388.1833 102.3084
388.6654 109.5901
389.1475 118.5060
389.6296 128.1832
390.1117 138.0053
390.5938 148.0468
391.0760 158.1862
391.5581 168.3488
392.0402 178.6044
392.5223 189.2852
393.0044 200.4822
393.4865 211.0438
393.9687 220.8868
394.4508 229.7044
394.9329 237.0445
395.4150 242.9451
395.8971 247.0292
396.3792 248.7925
396.8614 248.1920
397.3435 246.4645
397.8256 243.8125
398.3077 239.8438
398.7898 233.9362
399.2719 226.4689
399.7540 218.6396
400.2361 211.0463
400.7183 203.4111
401.2004 195.0462
401.6825 185.9557
402.1646 176.3165
402.6467 165.9818
403.1288 155.1524
403.6110 143.8375
404.0931 132.1558
404.5752 120.7439
405.0573 110.3583
405.5394 101.2120
406.0215 92.52864
406.5037 84.04251
406.9858 76.22699
407.4679 69.44350
407.9500 63.51031
408.4321 57.91286
408.9142 52.24452
409.3964 46.67760
409.8785 41.92184
410.3606 38.45157
410.8427 35.28432
411.3248 32.36098
411.8069 29.67531
412.2891 27.24385
412.7712 25.06322
413.2533 23.08029
413.7354 21.24467
414.2175 19.57388
414.6996 17.93898
415.1818 16.30560
415.6639 14.74683
416.1460 13.26784
416.6281 11.88707
417.1102 10.65143
417.5923 9.557220
418.0745 8.637817
418.5566 8.020905
419.0387 7.830444
419.5208 7.682114
420.0029 7.661057
420.4850 7.522263
420.9672 6.937485
421.4493 5.816238
421.9314 4.636414
422.4135 3.842407
422.8956 3.428940
423.3777 3.286804
423.8599 3.612976
424.3420 3.915222
424.8241 3.812683
425.3062 3.378082
425.7883 2.862427
426.2704 2.250687
426.7526 1.672028
427.2347 1.358383
427.7168 1.321396
428.1989 1.318848
428.6810 1.192368
429.1631 1.041840
429.6453 1.112610
430.1274 1.576553
430.6095 1.869064
431.0916 1.503265
431.5737 0.8069760
432.0558 0.4445190
432.5380 0.5871890
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