#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:28:41 +0300 (Thu, 26 Apr 2018) $
#$Revision: 478 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000035.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_1000035
loop_
_publ_author_name
'Mikenda, W.'
'Pertlik, F.'
'Povondra, P.'
'Ulrych, J.'
_publ_section_title
;
 On zeophyllite from Radejcin, Ceske stredohori Mts.: X-ray and
 IR-investigations Locality: Alter Berg, Radzein Note: z-coordinate of Si2
 was changed from 0.70304 to 0.07304 to match reported bond lengths
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              199
_journal_page_last               209
_journal_paper_doi               10.1007/BF01172484
_journal_volume                  61
_journal_year                    1997
_chemical_compound_source        R060150
_chemical_formula_sum            'Ca13 F10 H12 O34 Si10'
_chemical_name_mineral           Zeophyllite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.377
_cell_length_b                   9.377
_cell_length_c                   36.57
_cell_volume                     2784.732
_exptl_crystal_density_diffrn    2.769
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ca13 Si10 O34 F10 H12'
_cod_database_code               9012398
_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            R060150.rod
_rod_data_source.block           3500000
_rod_database.code               1000035
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 9012398 COD http://www.crystallography.net/cod/9012398.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
95.41687 0.0000000E+00
95.89898 7.656982
96.38110 16.81323
96.86321 24.60107
97.34533 27.96240
97.82745 19.00439
98.30956 12.17529
98.79168 9.807617
99.27380 7.114746
99.75591 5.588135
100.2380 5.747070
100.7201 4.524902
101.2023 2.386719
101.6844 0.2048340
102.1665 0.8210450
102.6486 7.6416001E-02
103.1307 1.541504
103.6128 1.743164
104.0950 7.3239999E-03
104.5771 0.6892090
105.0592 0.4497070
105.5413 2.913086
106.0234 6.649414
106.5055 11.76929
106.9877 17.97070
107.4698 24.51880
107.9519 32.00122
108.4340 38.66968
108.9161 43.41333
109.3982 46.76587
109.8804 49.90332
110.3625 53.60229
110.8446 57.61157
111.3267 62.41284
111.8088 68.13403
112.2909 74.40967
112.7731 81.64551
113.2552 89.56860
113.7373 97.09717
114.2194 102.6182
114.7015 104.9133
115.1836 107.0869
115.6658 109.1487
116.1479 111.0808
116.6300 112.9563
117.1121 114.8186
117.5942 116.4385
118.0763 117.0244
118.5584 115.6150
119.0406 115.2595
119.5227 117.8994
120.0048 122.5557
120.4869 126.3604
120.9690 127.9153
121.4511 128.0574
121.9333 128.6230
122.4154 129.7566
122.8975 132.1606
123.3796 135.6746
123.8617 139.9912
124.3438 143.9675
124.8260 144.6951
125.3081 143.2300
125.7902 140.7302
126.2723 137.2407
126.7544 133.8660
127.2365 131.8782
127.7187 130.9092
128.2008 132.6431
128.6829 137.2324
129.1650 143.5684
129.6471 150.9373
130.1292 158.8616
130.6114 167.2900
131.0935 176.7654
131.5756 188.3286
132.0577 200.2295
132.5398 213.2576
133.0219 226.4392
133.5041 238.0398
133.9862 246.8931
134.4683 253.3994
134.9504 253.2612
135.4325 244.6553
135.9146 232.3804
136.3968 218.2942
136.8789 202.9321
137.3610 186.8940
137.8431 170.9717
138.3252 155.0510
138.8073 139.4578
139.2895 123.0461
139.7716 107.3496
140.2537 94.60547
140.7358 85.77222
141.2179 78.32568
141.7000 68.57764
142.1821 56.71802
142.6643 46.35474
143.1464 39.53882
143.6285 35.55688
144.1106 31.84033
144.5927 28.13989
145.0748 24.21436
145.5570 19.56201
146.0391 14.21191
146.5212 9.307617
147.0033 5.962158
147.4854 4.303711
147.9675 2.884277
148.4497 1.836426
148.9318 0.6572270
149.4139 1.160645
149.8960 3.664551
150.3781 6.220703
150.8602 7.737793
151.3424 7.555664
151.8245 7.822998
152.3066 9.622559
152.7887 11.39893
153.2708 10.82031
153.7529 8.371826
154.2351 4.836182
154.7172 2.167969
155.1993 1.695068
155.6814 0.5085450
156.1635 2.484375
156.6456 5.959229
157.1278 8.200684
157.6099 8.281494
158.0920 6.820801
158.5741 6.442627
159.0562 9.176758
159.5383 10.54785
160.0205 8.135742
160.5026 3.509521
160.9847 4.4188999E-02
161.4668 0.1918950
161.9489 2.175781
162.4310 4.048340
162.9131 5.817871
163.3953 6.980713
163.8774 6.738525
164.3595 5.263916
164.8416 4.299072
165.3237 5.229004
165.8058 7.413086
166.2880 9.237305
166.7701 10.48560
167.2522 11.35669
167.7343 11.92480
168.2164 12.07983
168.6985 12.47144
169.1807 13.58862
169.6628 15.14380
170.1449 16.84766
170.6270 18.58838
171.1091 20.41162
171.5912 22.52856
172.0734 25.33032
172.5555 27.66968
173.0376 28.67822
173.5197 29.11426
174.0018 30.14941
174.4839 32.72876
174.9661 36.45679
175.4482 38.81152
175.9303 38.37402
176.4124 38.08960
176.8945 38.48682
177.3766 39.61816
177.8588 41.59277
178.3409 44.67432
178.8230 48.88086
179.3051 51.74438
179.7872 51.74902
180.2693 51.88818
180.7515 53.27686
181.2336 55.57959
181.7157 57.77319
182.1978 58.95508
182.6799 58.99756
183.1620 59.14380
183.6441 59.70288
184.1263 60.04858
184.6084 59.70312
185.0905 58.75513
185.5726 57.70605
186.0547 56.90698
186.5368 56.36328
187.0190 56.86499
187.5011 59.58154
187.9832 62.50049
188.4653 64.32202
188.9474 64.89111
189.4296 64.41577
189.9117 62.60938
190.3938 59.55933
190.8759 57.44849
191.3580 56.45459
191.8401 56.56738
192.3223 58.29761
192.8044 62.03857
193.2865 65.62720
193.7686 66.11572
194.2507 64.49683
194.7328 63.85083
195.2150 65.99854
195.6971 69.59448
196.1792 71.81055
196.6613 71.85767
197.1434 71.73657
197.6255 73.31543
198.1077 75.95337
198.5898 78.01025
199.0719 78.50952
199.5540 77.69214
200.0361 76.60840
200.5182 75.22778
201.0004 73.59937
201.4825 71.71558
201.9646 69.65283
202.4467 67.63452
202.9288 65.97070
203.4109 64.60742
203.8930 62.62354
204.3752 58.78857
204.8573 55.67041
205.3394 55.46729
205.8215 56.94409
206.3036 57.10693
206.7857 53.11182
207.2679 44.64355
207.7500 37.14185
208.2321 30.37500
208.7142 24.93481
209.1963 21.94556
209.6784 20.71289
210.1606 19.43140
210.6427 16.34204
211.1248 11.13452
211.6069 8.564941
212.0890 10.72144
212.5711 13.37720
213.0533 15.28125
213.5354 16.19629
214.0175 16.03198
214.4996 14.35059
214.9817 10.69189
215.4638 8.498535
215.9460 8.396973
216.4281 8.825684
216.9102 9.030762
217.3923 9.020996
217.8744 9.294189
218.3565 10.43457
218.8387 12.56055
219.3208 13.61572
219.8029 13.37280
220.2850 12.52515
220.7671 11.19434
221.2492 9.515625
221.7314 8.018311
222.2135 7.118896
222.6956 6.899902
223.1777 7.123291
223.6598 7.726318
224.1419 8.804932
224.6240 10.87598
225.1062 13.86987
225.5883 16.40356
226.0704 17.13257
226.5525 16.25195
227.0346 15.76611
227.5167 15.47510
227.9989 15.84473
228.4810 17.94678
228.9631 21.90625
229.4452 25.20874
229.9273 25.12354
230.4094 22.94751
230.8916 22.31982
231.3737 24.89868
231.8558 28.69653
232.3379 31.58130
232.8200 33.47559
233.3021 34.96240
233.7843 36.04150
234.2664 37.00391
234.7485 38.24487
235.2306 39.42456
235.7127 41.29517
236.1948 45.46899
236.6770 52.69312
237.1591 59.16675
237.6412 62.53320
238.1233 64.19336
238.6054 65.50830
239.0875 66.92212
239.5697 68.12939
240.0518 68.54907
240.5339 67.94531
241.0160 67.27881
241.4981 67.25317
241.9802 67.21094
242.4624 66.43066
242.9445 64.58618
243.4266 62.16113
243.9087 59.94971
244.3908 57.97900
244.8729 56.13501
245.3550 54.07227
245.8372 52.25220
246.3193 51.32178
246.8014 51.54492
247.2835 52.05078
247.7656 51.22632
248.2477 48.51660
248.7299 45.73755
249.2120 42.60571
249.6941 39.89233
250.1762 38.45654
250.6583 38.51929
251.1404 39.20239
251.6226 38.99658
252.1047 37.50732
252.5868 36.06470
253.0689 34.82129
253.5510 33.65967
254.0331 32.59863
254.5153 31.61011
254.9974 30.45264
255.4795 28.68384
255.9616 26.02686
256.4437 23.37964
256.9258 20.08740
257.4080 17.29395
257.8901 16.01050
258.3722 16.28564
258.8543 17.12183
259.3364 17.16162
259.8185 16.02173
260.3007 15.00659
260.7828 13.81616
261.2649 12.93701
261.7470 12.46948
262.2291 12.50977
262.7112 13.28735
263.1934 15.19824
263.6755 18.85205
264.1576 21.33374
264.6397 22.30347
265.1218 22.62939
265.6039 22.75903
266.0861 22.71851
266.5682 22.17261
267.0503 20.54834
267.5324 17.32739
268.0145 16.69971
268.4966 21.20605
268.9788 25.45044
269.4609 26.47144
269.9430 24.67578
270.4251 22.27563
270.9072 20.94189
271.3893 20.70557
271.8715 21.45654
272.3536 24.18140
272.8357 26.70312
273.3178 27.83838
273.7999 27.95605
274.2820 28.18237
274.7642 29.27417
275.2463 31.16211
275.7284 33.06226
276.2105 34.81812
276.6926 36.74878
277.1747 38.59204
277.6568 40.70947
278.1389 44.31323
278.6211 50.55640
279.1032 58.08179
279.5853 60.68970
280.0674 53.70654
280.5495 48.35620
281.0316 49.01880
281.5138 53.01855
281.9959 55.45215
282.4780 54.06812
282.9601 50.45068
283.4422 48.82129
283.9243 50.65283
284.4065 51.40234
284.8886 49.37720
285.3707 45.93311
285.8528 43.07275
286.3349 41.47095
286.8170 40.45703
287.2992 38.77734
287.7813 36.08643
288.2634 34.04858
288.7455 33.08521
289.2276 32.84888
289.7097 33.35767
290.1919 34.67432
290.6740 35.56567
291.1561 34.21216
291.6382 30.28223
292.1203 26.80981
292.6024 24.09595
293.0846 21.96997
293.5667 20.47925
294.0488 19.56470
294.5309 18.55664
295.0130 16.58643
295.4951 13.66846
295.9773 11.85156
296.4594 12.21851
296.9415 13.12109
297.4236 13.12793
297.9057 12.13574
298.3878 11.08228
298.8700 10.79639
299.3521 11.15015
299.8342 11.19678
300.3163 10.04663
300.7984 9.393311
301.2805 10.81982
301.7627 13.82935
302.2448 16.15308
302.7269 16.61279
303.2090 15.52100
303.6911 13.99902
304.1732 11.81104
304.6554 9.638184
305.1375 7.452637
305.6196 5.506348
306.1017 4.679688
306.5838 5.673584
307.0659 7.297607
307.5481 7.093262
308.0302 4.750488
308.5123 2.437012
308.9944 0.4440920
309.4765 0.9787600
309.9586 1.081787
310.4408 0.5290530
310.9229 2.606445
311.4050 3.401367
311.8871 2.877441
312.3692 2.508789
312.8513 2.923584
313.3335 3.463623
313.8156 3.135010
314.2977 1.756592
314.7798 0.3696290
315.2619 9.4237998E-02
315.7440 0.3374020
316.2262 0.9741210
316.7083 2.499023
317.1904 3.676025
317.6725 2.829590
318.1546 0.1213380
318.6367 1.739014
319.1188 0.5915530
319.6010 2.913818
320.0831 5.164795
320.5652 5.463379
321.0473 5.263428
321.5294 5.211426
322.0115 5.299316
322.4937 5.426758
322.9758 5.521484
323.4579 5.692383
323.9400 6.332275
324.4221 7.875000
324.9042 8.917725
325.3864 8.592285
325.8685 7.493652
326.3506 6.727783
326.8327 6.668701
327.3148 6.950195
327.7969 7.102539
328.2791 7.212646
328.7612 6.862305
329.2433 5.431885
329.7254 3.760986
330.2075 2.975342
330.6896 3.268799
331.1718 3.759766
331.6539 3.592773
332.1360 2.702637
332.6181 1.640137
333.1002 0.4782710
333.5823 2.069092
334.0645 1.525879
334.5466 0.9353030
335.0287 3.351074
335.5108 4.311035
335.9929 4.021973
336.4750 4.271484
336.9572 5.369873
337.4393 6.566895
337.9214 7.823730
338.4035 8.947021
338.8856 9.553955
339.3677 9.278076
339.8499 8.180420
340.3320 6.754150
340.8141 4.156250
341.2962 2.824707
341.7783 4.567383
342.2604 7.477295
342.7426 8.916504
343.2247 8.014648
343.7068 5.787598
344.1889 3.649902
344.6710 1.583740
345.1531 6.6161998E-02
345.6353 0.5222170
346.1174 0.7453610
346.5995 0.9045410
347.0816 1.041504
347.5637 1.197998
348.0458 1.390381
348.5280 1.678467
349.0101 2.231689
349.4922 3.151367
349.9743 4.125488
350.4564 5.217529
350.9385 6.206787
351.4207 6.711670
351.9028 6.516602
352.3849 5.714355
352.8670 4.689209
353.3491 2.734863
353.8312 1.396240
354.3134 2.033203
354.7955 2.911865
355.2776 1.503906
355.7597 2.989258
356.2418 8.426270
356.7239 11.06787
357.2061 8.772949
357.6882 7.912598
358.1703 8.953125
358.6524 10.91748
359.1345 13.40161
359.6166 16.22803
360.0987 19.17773
360.5808 21.95972
361.0630 24.45776
361.5451 27.19458
362.0272 31.03589
362.5093 34.13501
362.9914 35.45142
363.4735 35.57397
363.9557 35.64624
364.4378 36.36523
364.9199 37.55493
365.4020 38.46631
365.8841 39.27686
366.3662 39.51953
366.8484 38.72021
367.3305 37.59644
367.8126 37.13477
368.2947 37.60254
368.7768 37.99414
369.2589 36.37329
369.7411 31.22070
370.2232 28.11963
370.7053 29.47998
371.1874 30.85156
371.6695 29.30713
372.1516 25.26318
372.6338 21.43530
373.1159 20.50293
373.5980 22.35205
374.0801 22.95435
374.5622 20.80127
375.0443 19.22021
375.5265 19.46313
376.0086 20.91138
376.4907 22.77637
376.9728 24.95361
377.4549 26.83838
377.9370 26.96313
378.4192 24.81421
378.9013 22.34473
379.3834 18.92407
379.8655 16.10425
380.3476 15.46436
380.8297 17.29810
381.3119 19.88696
381.7940 21.89307
382.2761 23.31323
382.7582 23.54004
383.2403 21.77026
383.7224 19.60107
384.2046 18.10889
384.6867 17.17578
385.1688 16.23145
385.6509 14.59229
386.1330 12.82397
386.6151 12.44556
387.0973 13.87109
387.5794 15.18481
388.0615 14.97681
388.5436 14.02515
389.0257 13.40845
389.5078 13.41333
389.9900 13.60229
390.4721 13.58105
390.9542 13.35938
391.4363 13.27148
391.9184 13.80347
392.4005 14.19897
392.8827 13.06177
393.3648 10.23901
393.8469 8.076904
394.3290 8.590088
394.8111 10.00806
395.2932 8.981934
395.7754 4.779785
396.2575 0.8120120
396.7396 0.4001460
397.2217 3.276611
397.7038 5.121582
398.1859 5.636230
398.6681 5.184814
399.1501 3.208740
399.6323 0.2805180
400.1144 1.664063
400.5965 1.643799
401.0786 5.0537001E-02
401.5607 2.275635
402.0428 6.772949
402.5250 9.391113
403.0071 8.227051
403.4892 5.325928
403.9713 2.760742
404.4534 1.088623
404.9355 0.2238770
405.4177 0.1765140
405.8998 1.198242
406.3819 1.832031
406.8640 1.958984
407.3461 1.834473
407.8282 1.222412
408.3104 0.4450680
408.7925 0.2897950
409.2746 1.339355
409.7567 3.296631
410.2388 4.598633
410.7209 4.212891
411.2031 4.582764
411.6852 7.027344
412.1673 9.542969
412.6494 9.943359
413.1315 7.942383
413.6136 5.327881
414.0958 4.472168
414.5779 6.003662
415.0600 6.737549
415.5421 6.469727
416.0242 5.581055
416.5063 3.749023
416.9885 1.378174
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