#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:43:47 +0300 (Thu, 07 Jun 2018) $
#$Revision: 962 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100030.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_8100030
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 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            R120105.rod
_rod_data_source.block           3500000
_rod_database.code               8100030
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
193.9810 0.0000000E+00
194.4631 0.3392330
194.9452 3.402710
195.4273 4.117920
195.9094 0.2386470
196.3915 1.585083
196.8737 3.0884000E-02
197.3558 3.879639
197.8379 6.286743
198.3200 7.059326
198.8021 6.995728
199.2842 6.337646
199.7664 5.010376
200.2485 4.675659
200.7306 5.996704
201.2127 8.615723
201.6948 10.49902
202.1769 11.44910
202.6591 12.38660
203.1412 14.32129
203.6233 17.46387
204.1054 20.13708
204.5875 21.74524
205.0696 22.46155
205.5518 23.84253
206.0339 25.80957
206.5160 28.50232
206.9981 32.24805
207.4802 37.16638
207.9623 42.11169
208.4445 46.49854
208.9266 50.41785
209.4087 55.96680
209.8908 63.44092
210.3729 71.97961
210.8550 80.66211
211.3372 89.21155
211.8193 98.45154
212.3014 108.5282
212.7835 119.3265
213.2656 131.2260
213.7477 144.1554
214.2299 158.3097
214.7120 173.6444
215.1941 190.1901
215.6762 208.1327
216.1583 227.7628
216.6404 248.8970
217.1226 271.2367
217.6047 295.2289
218.0868 319.8839
218.5689 345.4880
219.0510 375.3976
219.5331 398.9299
220.0153 415.2726
220.4974 425.1592
220.9795 419.8737
221.4616 394.6434
221.9437 359.5153
222.4258 325.3530
222.9080 290.7283
223.3901 260.5052
223.8722 236.4528
224.3543 218.4106
224.8364 205.3162
225.3185 198.3033
225.8007 195.1991
226.2828 193.2845
226.7649 192.1571
227.2470 192.9603
227.7291 196.6005
228.2112 203.7769
228.6934 208.8600
229.1755 212.3090
229.6576 213.2841
230.1397 210.3582
230.6218 201.8842
231.1039 192.4834
231.5861 183.1140
232.0682 173.5013
232.5503 165.3215
233.0324 159.1199
233.5145 153.9873
233.9966 148.6176
234.4788 142.3492
234.9609 137.1622
235.4430 133.6696
235.9251 132.0382
236.4072 130.9843
236.8893 130.8804
237.3715 131.0148
237.8536 130.5336
238.3357 129.4216
238.8178 127.6318
239.2999 124.8541
239.7820 120.8357
240.2642 117.6283
240.7463 115.2297
241.2284 113.5734
241.7105 112.3878
242.1926 110.6722
242.6747 111.1854
243.1569 115.0326
243.6390 122.6783
244.1211 129.9775
244.6032 137.1317
245.0853 143.8281
245.5674 149.5983
246.0496 153.8351
246.5317 158.3800
247.0138 164.2688
247.4959 172.1295
247.9780 177.7358
248.4601 180.0176
248.9423 180.8990
249.4244 182.9889
249.9065 187.0469
250.3886 191.1912
250.8707 194.9690
251.3528 198.4106
251.8350 202.2234
252.3171 206.9265
252.7992 212.4607
253.2813 218.7689
253.7634 225.7113
254.2455 233.5118
254.7277 242.6771
255.2098 253.2400
255.6919 262.4231
256.1740 270.1626
256.6561 276.5293
257.1382 281.7607
257.6204 286.8259
258.1025 288.4189
258.5846 285.3970
259.0667 277.9363
259.5488 269.3362
260.0309 258.9520
260.5131 248.6135
260.9952 240.1658
261.4773 234.0826
261.9594 228.4656
262.4415 222.9863
262.9236 217.6964
263.4058 213.6616
263.8879 211.7428
264.3700 209.6249
264.8521 205.8226
265.3342 200.8674
265.8163 192.4220
266.2985 179.6003
266.7806 163.0358
267.2627 145.5634
267.7448 126.7982
268.2269 108.2982
268.7090 90.82581
269.1912 73.78406
269.6733 59.37683
270.1554 48.00732
270.6375 39.23682
271.1196 31.63843
271.6017 25.38672
272.0839 20.34497
272.5660 16.72620
273.0481 14.72742
273.5302 12.21057
274.0123 8.710571
274.4944 4.902588
274.9766 2.758179
275.4587 2.551880
275.9408 2.988647
276.4229 3.302490
276.9050 3.441772
277.3871 3.789185
277.8693 4.399048
278.3514 5.144775
278.8335 5.532837
279.3156 5.455688
279.7977 5.946045
280.2798 7.805298
280.7620 11.01318
281.2441 13.85046
281.7262 15.97278
282.2083 18.15417
282.6904 21.80151
283.1725 26.94983
283.6547 32.83618
284.1368 39.33264
284.6189 46.31885
285.1010 53.23926
285.5831 60.09851
286.0652 66.82971
286.5474 73.43677
287.0295 79.91174
287.5116 85.93762
287.9937 91.57239
288.4758 96.75891
288.9579 101.0671
289.4401 104.7340
289.9222 106.7656
290.4043 105.4219
290.8864 101.0105
291.3685 95.93188
291.8506 91.10852
292.3328 86.30066
292.8149 80.93311
293.2970 74.97778
293.7791 68.54761
294.2612 61.42676
294.7433 53.84998
295.2255 46.84241
295.7076 40.80383
296.1897 35.54651
296.6718 31.17017
297.1539 27.66089
297.6360 23.93848
298.1182 18.67822
298.6003 12.49890
299.0824 6.767700
299.5645 1.541382
300.0466 2.728149
300.5287 5.112183
301.0109 5.775513
301.4930 5.899048
301.9751 6.422729
302.4572 6.953125
302.9393 6.724243
303.4214 5.215698
303.9036 3.506836
304.3857 2.850952
304.8678 3.011475
305.3499 3.117432
305.8320 2.698853
306.3141 1.895508
306.7963 1.009766
307.2784 0.2490230
307.7605 1.124878
308.2426 4.345581
308.7247 8.698730
309.2068 12.47888
309.6890 13.97888
310.1711 14.96655
310.6532 16.82788
311.1353 19.69080
311.6174 23.35706
312.0995 28.14001
312.5817 33.50513
313.0638 38.67456
313.5459 43.36743
314.0280 47.79712
314.5101 52.82544
314.9922 58.67346
315.4744 62.18213
315.9565 60.89429
316.4386 56.76318
316.9207 52.03577
317.4028 47.90344
317.8849 42.92444
318.3671 35.78101
318.8492 26.59485
319.3313 18.66772
319.8134 13.26965
320.2955 9.462158
320.7776 6.537720
321.2598 4.138672
321.7419 2.734619
322.2240 2.943726
322.7061 4.422974
323.1882 5.475952
323.6703 5.971191
324.1525 5.784058
324.6346 4.797729
325.1167 2.001587
325.5988 0.2299800
326.0809 1.836914
326.5630 2.734375
327.0452 2.692993
327.5273 0.1336670
328.0094 2.343628
328.4915 2.506470
328.9736 1.030518
329.4557 2.905884
329.9379 1.923218
330.4200 0.3420410
330.9021 1.327515
331.3842 0.2210690
331.8663 1.124146
332.3484 2.390015
332.8306 3.680420
333.3127 4.327393
333.7948 4.307739
334.2769 3.685425
334.7590 2.460083
335.2411 0.3162840
335.7233 1.818970
336.2054 3.903442
336.6875 5.935791
337.1696 7.016113
337.6517 6.593872
338.1339 6.336792
338.6160 8.090820
339.0981 12.63110
339.5802 15.24182
340.0623 14.50525
340.5444 11.69409
341.0266 11.23438
341.5087 13.46423
341.9908 16.27014
342.4729 18.56824
342.9550 20.30872
343.4371 21.39087
343.9193 21.74609
344.4014 21.45776
344.8835 20.15149
345.3656 17.84338
345.8477 16.44446
346.3298 17.51733
346.8120 20.46558
347.2941 22.49170
347.7762 23.47693
348.2583 24.13831
348.7404 25.45679
349.2225 27.26233
349.7047 28.77979
350.1868 29.75513
350.6689 30.23865
351.1510 30.34827
351.6331 30.06787
352.1152 29.29346
352.5974 26.97180
353.0795 24.19434
353.5616 23.13684
354.0437 25.26953
354.5258 28.20886
355.0079 29.60413
355.4901 29.70349
355.9722 29.65991
356.4543 30.10620
356.9364 30.82446
357.4185 31.56860
357.9006 32.09290
358.3828 32.80762
358.8649 34.11816
359.3470 35.93164
359.8291 38.00000
360.3112 40.25134
360.7933 42.73523
361.2755 45.54126
361.7576 48.66980
362.2397 52.06946
362.7218 55.97278
363.2039 59.98950
363.6860 63.71301
364.1682 66.42566
364.6503 69.47656
365.1324 73.28210
365.6145 77.85791
366.0966 82.51782
366.5787 86.91882
367.0609 91.52820
367.5430 96.64832
368.0251 101.2625
368.5072 107.7366
368.9893 117.7181
369.4714 129.8611
369.9536 139.4395
370.4357 144.0438
370.9178 148.6710
371.3999 155.3309
371.8820 165.1439
372.3641 174.3593
372.8463 183.4061
373.3284 191.4412
373.8105 197.2050
374.2926 200.1182
374.7747 202.3242
375.2568 204.4926
375.7390 206.4933
376.2211 206.5890
376.7032 204.8817
377.1853 201.1824
377.6674 194.5490
378.1495 184.5858
378.6317 175.7418
379.1138 168.6455
379.5959 162.9435
380.0780 157.6156
380.5601 152.7092
381.0422 149.1241
381.5244 147.7026
382.0065 148.2855
382.4886 149.6863
382.9707 151.5934
383.4528 154.4102
383.9349 159.1080
384.4171 165.6084
384.8992 173.0173
385.3813 181.2986
385.8634 190.2955
386.3455 199.7614
386.8276 209.4480
387.3098 220.2061
387.7919 232.9919
388.2740 247.6245
388.7561 263.5879
389.2382 280.9814
389.7203 299.2059
390.2025 317.5627
390.6846 335.9993
391.1667 354.9987
391.6488 375.1753
392.1309 395.5265
392.6130 415.4644
393.0952 434.9900
393.5773 453.3210
394.0594 470.4293
394.5415 485.8729
395.0236 498.8318
395.5057 510.5291
395.9879 518.4563
396.4700 521.3732
396.9521 518.9141
397.4342 513.6431
397.9163 506.1902
398.3984 495.9570
398.8806 482.3519
399.3627 462.7516
399.8448 442.5930
400.3269 422.2637
400.8090 401.7593
401.2911 381.6515
401.7733 361.8164
402.2554 342.2229
402.7375 322.8945
403.2196 304.1809
403.7017 284.6783
404.1838 264.0664
404.6660 243.0312
405.1481 223.2272
405.6302 204.5557
406.1123 187.0983
406.5944 170.8545
407.0765 155.7758
407.5587 142.1278
408.0408 129.8746
408.5229 118.8566
409.0050 108.8512
409.4871 99.89783
409.9692 92.30615
410.4514 86.45947
410.9335 81.52478
411.4156 75.46191
411.8977 68.45093
412.3798 62.15186
412.8619 57.99487
413.3441 55.34351
413.8262 53.27417
414.3083 51.92480
414.7904 50.00928
415.2725 45.75879
415.7546 40.03955
416.2368 34.55151
416.7189 29.76843
417.2010 25.80261
417.6831 22.76404
418.1652 20.65979
418.6473 19.21704
419.1295 19.10059
419.6116 19.17578
420.0937 18.33252
420.5758 15.10999
421.0579 12.66321
421.5400 12.97998
422.0222 14.85461
422.5043 15.33838
422.9864 11.94324
423.4685 8.652222
423.9506 7.293091
424.4327 8.963135
424.9149 9.263184
425.3970 6.740234
425.8791 3.512451
426.3612 1.601440
426.8433 1.122803
427.3254 1.880493
427.8076 4.715942
428.2897 9.047241
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429.2539 7.165161
429.7360 3.523193
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430.7003 2.759521
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431.6645 0.5375980
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433.1108 0.7722170
433.5930 2.749512
434.0751 3.074707
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435.0393 0.3363040
435.5214 2.179199
436.0035 3.984497
436.4857 2.986328
436.9678 0.2653810
437.4499 1.563843
437.9320 1.771118
438.4141 1.194214
438.8962 0.2033690
439.3784 0.9289550
439.8605 1.374146
440.3426 0.2746580
440.8247 1.405762
441.3068 2.969604
441.7889 4.330933
442.2711 5.491821
442.7532 7.147339
443.2353 8.297729
443.7174 7.905762
444.1995 3.653198
444.6816 5.7128999E-02
445.1638 2.092041
445.6459 2.588135
446.1280 2.287720
446.6101 3.9917000E-02
447.0922 2.039307
447.5743 2.519897
448.0565 0.4796140
448.5386 0.5678710
449.0207 7.7758998E-02
449.5028 1.069580
449.9849 1.732788
450.4670 1.794800
450.9492 1.678345
451.4313 1.385864
451.9134 0.9930420
452.3955 1.148682
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453.8419 1.881836
454.3240 0.3814700
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468.7875 24.46265
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470.7159 36.57385
471.1981 39.72754
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474.5729 62.33154
475.0550 66.03796
475.5371 69.44922
476.0192 71.50964
476.5013 72.28076
476.9835 72.29028
477.4656 71.61267
477.9477 70.42883
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478.9119 68.06958
479.3940 66.06323
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481.8046 42.17468
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485.1794 16.06653
485.6616 12.52002
486.1437 7.215210
486.6258 2.221558
487.1079 0.9099120
487.5900 1.800781
488.0721 1.466187
488.5543 0.7104490
489.0364 3.822388
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490.0006 4.015015
490.4827 2.652832
490.9648 2.049683
491.4470 2.064453
491.9291 1.675415
492.4112 0.7156980
492.8933 5.1270002E-03
493.3754 0.5506590
493.8575 2.146973
494.3397 3.875732
494.8218 5.724976
495.3039 7.423828
495.7860 8.178345
496.2681 8.337769
496.7502 9.078003
497.2324 11.54407
497.7145 14.60449
498.1966 16.82031
498.6787 18.13354
499.1608 20.71924
499.6429 27.27344
500.1251 34.78809
500.6072 40.70044
501.0893 42.59326
501.5714 45.20679
502.0535 49.96460
502.5356 56.08569
503.0178 61.87573
503.4999 67.68384
503.9820 73.00293
504.4641 77.71436
504.9462 81.71484
505.4283 85.79321
505.9105 90.70654
506.3926 94.49561
506.8747 95.85229
507.3568 94.70508
507.8389 91.45459
508.3210 85.61768
508.8032 78.68262
509.2853 73.07593
509.7674 68.75269
510.2495 65.19165
510.7316 62.40894
511.2137 60.07373
511.6959 57.35059
512.1780 54.25977
512.6601 51.28662
513.1422 48.81201
513.6243 46.75073
514.1064 45.10938
514.5886 44.04419
515.0707 43.06958
515.5528 41.90601
516.0349 40.55933
516.5170 39.19385
516.9991 36.49072
517.4813 35.25854
517.9634 37.66870
518.4455 43.12695
518.9276 46.55420
519.4097 45.55835
519.8918 43.96924
520.3740 43.24219
520.8561 43.57104
521.3382 44.12256
521.8203 45.12891
522.3024 46.01636
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1273.922 3.479980
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1276.333 4.524902
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1277.297 5.458496
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1278.261 8.394775
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1279.708 2.679443
1280.190 3.164307
1280.672 5.340088
1281.154 8.450684
1281.636 10.77222
1282.118 12.05737
1282.600 12.19727
1283.083 10.48218
1283.565 8.806885
1284.047 7.691162
1284.529 6.597900
1285.011 4.037842
1285.493 1.403320
1285.975 1.518311
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1286.939 5.473633
1287.422 3.949219
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1288.386 1.983643
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1289.350 0.8386230
1289.832 0.3811040
1290.314 1.753906
1290.796 4.423828
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1292.243 4.612549
1292.725 6.445068
1293.207 8.322998
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1296.100 0.1486820
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1297.064 4.987793
1297.546 8.593750
1298.028 8.817383
1298.510 7.452148
1298.992 4.124268
1299.475 0.1325680
1299.957 6.3721001E-02
1300.439 2.254150
1300.921 4.870850
1301.403 4.202881
1301.885 0.0000000E+00
