#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:44:16 +0300 (Thu, 26 Apr 2018) $
#$Revision: 544 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000093.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_1000093
loop_
_publ_author_name
'Romming, C.'
'Kocharian, A. K.'
'Raade, G.'
_publ_section_title
;
 The crystal structure of kamphaugite-(Y)
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              685
_journal_page_last               690
_journal_volume                  5
_journal_year                    1993
_chemical_compound_source        R080085
_chemical_formula_sum            'C2 H3 Ca O8 Y'
_chemical_name_mineral           Kamphaugite-(Y)
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.434
_cell_length_b                   7.434
_cell_length_c                   21.793
_cell_volume                     1204.376
_exptl_crystal_density_diffrn    3.126
_cod_original_formula_sum        'Y Ca C2 O8 H3'
_cod_database_code               9005138
_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            R080085.rod
_rod_data_source.block           3500000
_rod_database.code               1000093
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 9005138 COD http://www.crystallography.net/cod/9005138.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
110.3617 0.0000000E+00
110.8439 0.3747710
111.3260 1.178467
111.8081 1.761536
112.2902 1.958710
112.7723 1.857864
113.2544 1.564117
113.7366 0.7165220
114.2187 0.3379360
114.7008 0.6682280
115.1829 1.289795
115.6650 1.854675
116.1471 2.237762
116.6293 2.495056
117.1114 2.762711
117.5935 3.163544
118.0756 3.355865
118.5577 3.021637
119.0398 2.397507
119.5220 2.086868
120.0041 2.486893
120.4862 3.258957
120.9683 3.609238
121.4504 3.333298
121.9325 2.992325
122.4147 3.059525
122.8968 3.571350
123.3789 4.068665
123.8610 4.377045
124.3431 4.524170
124.8252 4.489670
125.3074 4.190689
125.7895 3.830139
126.2716 3.833847
126.7537 4.483383
127.2358 4.998322
127.7179 5.218567
128.2001 5.223251
128.6822 4.939346
129.1643 4.270538
129.6464 3.293320
130.1285 3.001907
130.6106 4.457886
131.0928 5.627411
131.5749 5.936813
132.0570 5.557236
132.5391 5.103775
133.0212 4.882950
133.5033 4.835556
133.9855 4.499496
134.4676 3.394623
134.9497 2.417130
135.4318 2.170197
135.9139 2.687546
136.3960 3.637344
136.8782 4.243546
137.3603 4.366653
137.8424 4.423218
138.3245 4.428192
138.8066 4.482971
139.2887 4.762848
139.7709 5.081985
140.2530 5.637268
140.7351 6.269821
141.2172 6.691559
141.6993 6.806625
142.1814 6.350784
142.6636 5.470657
143.1457 5.077087
143.6278 6.289856
144.1099 7.437561
144.5920 7.307968
145.0741 6.124893
145.5563 4.830856
146.0384 4.249588
146.5205 4.478821
147.0026 4.636780
147.4847 4.477783
147.9668 4.245377
148.4490 4.081802
148.9311 4.015549
149.4132 3.984329
149.8953 3.858505
150.3774 3.494156
150.8595 3.354141
151.3417 3.592743
151.8238 3.956238
152.3059 4.371857
152.7880 4.787354
153.2701 5.016251
153.7522 4.572372
154.2344 2.100418
154.7165 0.4963230
155.1986 0.3654330
155.6807 1.016525
156.1628 1.611099
156.6449 1.734085
157.1271 1.498825
157.6092 1.356323
158.0913 1.358032
158.5734 1.373032
159.0555 1.393173
159.5376 1.403839
160.0198 1.375519
160.5019 1.307678
160.9840 1.169296
161.4661 0.8795470
161.9482 0.1000670
162.4303 0.4839630
162.9125 0.2693020
163.3946 0.7110750
163.8767 1.711273
164.3588 2.393433
164.8409 2.763138
165.3230 2.835739
165.8052 2.539139
166.2873 2.009766
166.7694 1.343445
167.2515 0.4418330
167.7336 0.2597430
168.2157 0.2122880
168.6979 8.2213998E-02
169.1800 0.1039580
169.6621 0.4735790
170.1442 1.388550
170.6263 1.890747
171.1084 1.758492
171.5906 1.529678
172.0727 1.323326
172.5548 1.157814
173.0369 1.072906
173.5190 1.120842
174.0011 1.267517
174.4833 1.217415
174.9654 0.5000920
175.4475 5.9967000E-02
175.9296 0.4264760
176.4117 1.213669
176.8938 1.699684
177.3759 1.303314
177.8581 5.9280000E-03
178.3402 1.016876
178.8223 1.690529
179.3044 2.148827
179.7865 2.269379
180.2686 2.170570
180.7508 2.160957
181.2329 2.531075
181.7150 3.332802
182.1971 3.867905
182.6792 3.906410
183.1613 3.910477
183.6435 4.145630
184.1256 4.620285
184.6077 5.193542
185.0898 5.793076
185.5719 6.407890
186.0540 6.787567
186.5362 6.831146
187.0183 6.689621
187.5004 6.380730
187.9825 5.884499
188.4646 5.568939
188.9467 5.996857
189.4289 6.963211
189.9110 7.626053
190.3931 7.531403
190.8752 7.101418
191.3573 6.994240
191.8394 7.314301
192.3216 7.801483
192.8037 8.167702
193.2858 8.519440
193.7679 9.156830
194.2500 10.49268
194.7321 12.24468
195.2143 13.48669
195.6964 13.97015
196.1785 14.26221
196.6606 14.55261
197.1427 14.90854
197.6248 15.48853
198.1070 16.51180
198.5891 17.91390
199.0712 19.04071
199.5533 19.65970
200.0354 20.23741
200.5175 20.93468
200.9997 21.72662
201.4818 22.54131
201.9639 23.32355
202.4460 24.07477
202.9281 24.76616
203.4102 25.46932
203.8924 26.03039
204.3745 26.36874
204.8566 26.51845
205.3387 26.54222
205.8208 26.46101
206.3029 26.23322
206.7851 26.31424
207.2672 27.08310
207.7493 27.77492
208.2314 28.02293
208.7135 27.89383
209.1956 27.70283
209.6778 27.74458
210.1599 28.07120
210.6420 28.21114
211.1241 27.88465
211.6062 27.64371
212.0883 27.86467
212.5705 28.47625
213.0526 29.10620
213.5347 29.45083
214.0168 29.46619
214.4989 29.22407
214.9810 28.27374
215.4632 27.42583
215.9453 27.46797
216.4274 28.35193
216.9095 29.04448
217.3916 28.50143
217.8737 26.70218
218.3559 25.61143
218.8380 25.80861
219.3201 26.36185
219.8022 26.51321
220.2843 26.19151
220.7664 25.66522
221.2486 25.12156
221.7307 24.50352
222.2128 23.70629
222.6949 22.40813
223.1770 21.07341
223.6591 20.32872
224.1413 20.26736
224.6234 20.22768
225.1055 19.58428
225.5876 18.61009
226.0697 17.87742
226.5518 17.66039
227.0340 17.69822
227.5161 17.63259
227.9982 17.45351
228.4803 17.12886
228.9624 16.54977
229.4445 15.87897
229.9267 15.30391
230.4088 14.86045
230.8909 14.57190
231.3730 14.54914
231.8551 14.93090
232.3372 15.21491
232.8194 15.21909
233.3015 15.04754
233.7836 14.74686
234.2657 14.28333
234.7478 13.78160
235.2299 13.53719
235.7121 13.65628
236.1942 13.96120
236.6763 14.44897
237.1584 15.03064
237.6405 15.64253
238.1226 16.27261
238.6048 16.87004
239.0869 17.25911
239.5690 17.15500
240.0511 17.37142
240.5332 18.46308
241.0153 19.72176
241.4975 20.31982
241.9796 19.89388
242.4617 18.95196
242.9438 18.80927
243.4259 20.19263
243.9080 21.25545
244.3902 21.66389
244.8723 21.75359
245.3544 21.82814
245.8365 22.00802
246.3186 22.22899
246.8007 22.35334
247.2829 22.35386
247.7650 22.27247
248.2471 22.00777
248.7292 21.71976
249.2113 21.62415
249.6934 21.77785
250.1756 21.96806
250.6577 21.76559
251.1398 20.72845
251.6219 19.92204
252.1040 19.31085
252.5861 18.93933
253.0683 18.95713
253.5504 19.37900
254.0325 19.92891
254.5146 20.15508
254.9967 19.87682
255.4788 19.56023
255.9610 19.11521
256.4431 18.68630
256.9252 18.43579
257.4073 18.42386
257.8894 18.50836
258.3716 18.46202
258.8537 18.32315
259.3358 17.88141
259.8179 16.87750
260.3000 15.77283
260.7821 14.90518
261.2643 14.32252
261.7464 13.88315
262.2285 13.43112
262.7106 12.94423
263.1927 12.62048
263.6748 12.48184
264.1570 12.48096
264.6391 12.74945
265.1212 13.26267
265.6033 13.53070
266.0854 12.93916
266.5675 11.45087
267.0497 10.57379
267.5318 10.91604
268.0139 11.50175
268.4960 11.42093
268.9781 10.65861
269.4602 10.01398
269.9423 10.16223
270.4244 11.01286
270.9066 11.63728
271.3887 12.07841
271.8708 12.21829
272.3529 11.72688
272.8350 10.66806
273.3171 9.830055
273.7993 9.685890
274.2814 10.19274
274.7635 10.93276
275.2456 12.15601
275.7277 13.32162
276.2098 14.04759
276.6920 14.38349
277.1741 14.59383
277.6562 14.78389
278.1383 14.91911
278.6204 14.93690
279.1025 14.76241
279.5847 14.60508
280.0668 14.59780
280.5489 14.75410
281.0310 15.01947
281.5131 15.39922
281.9952 15.86391
282.4774 16.36275
282.9595 16.91495
283.4416 17.47458
283.9237 18.07634
284.4058 18.67566
284.8879 19.08017
285.3701 19.22047
285.8522 19.16745
286.3343 18.95920
286.8164 18.60944
287.2985 18.32039
287.7806 18.20512
288.2628 18.23196
288.7449 18.30459
289.2270 18.40353
289.7091 18.56325
290.1912 18.86742
290.6733 19.26787
291.1555 19.59226
291.6376 19.68172
292.1197 19.64407
292.6018 19.76920
293.0839 20.15446
293.5660 20.49656
294.0482 20.50481
294.5303 20.33689
295.0124 20.28194
295.4945 20.49287
295.9766 20.86043
296.4587 21.19268
296.9409 21.47731
297.4230 21.76994
297.9051 22.21562
298.3872 22.65466
298.8693 22.92038
299.3514 23.03927
299.8336 22.83903
300.3157 21.95914
300.7978 20.27081
301.2799 18.64413
301.7620 17.33621
302.2441 16.28624
302.7263 15.61784
303.2084 15.45111
303.6905 15.07166
304.1726 13.46338
304.6547 10.55669
305.1368 8.172058
305.6190 6.877342
306.1011 6.197899
306.5832 5.978355
307.0653 6.172318
307.5474 6.202858
308.0295 5.397217
308.5117 3.854378
308.9938 2.775253
309.4759 2.533348
309.9580 2.559364
310.4401 2.514198
310.9222 2.397568
311.4044 2.235962
311.8865 1.997383
312.3686 1.716354
312.8507 1.583878
313.3328 1.779442
313.8149 1.803955
314.2971 1.114014
314.7792 0.1060030
315.2613 0.4478000
315.7434 5.2048001E-02
316.2255 1.056305
316.7076 1.299484
317.1898 0.4920730
317.6719 0.2708280
318.1540 0.4135440
318.6361 0.2920300
319.1182 0.2823940
319.6003 0.5178450
320.0825 0.8374790
320.5646 1.009041
321.0467 1.003296
321.5288 1.038033
322.0109 1.283348
322.4930 1.532158
322.9752 1.575058
323.4573 1.374176
323.9394 1.181580
324.4215 1.311371
324.9036 1.753082
325.3857 1.970825
325.8679 1.656898
326.3500 1.308609
326.8321 1.312195
327.3142 1.627419
327.7963 1.955223
328.2784 2.137268
328.7606 2.175697
329.2427 2.080528
329.7248 1.839790
330.2069 1.475555
330.6890 0.8941120
331.1711 0.2133790
331.6533 0.3199620
332.1354 0.6319270
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333.0996 0.4308400
333.5817 0.3544920
334.0638 1.010010
334.5460 1.091560
335.0281 0.9054570
335.5102 0.7950130
335.9923 0.9035800
336.4744 0.9812470
336.9565 0.6418610
337.4387 0.1476520
337.9208 0.7735600
338.4029 1.054459
338.8850 1.046265
339.3671 0.7113040
339.8492 1.6060000E-02
340.3314 0.5901720
340.8135 0.7258450
341.2956 0.4553830
341.7777 0.1466900
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342.7419 0.4863970
343.2241 0.3671650
343.7062 4.8485000E-02
344.1883 0.3721540
344.6704 0.4488220
345.1525 0.3015750
345.6346 7.4211001E-02
346.1168 0.7487260
346.5989 1.422539
347.0810 1.881699
347.5631 2.187294
348.0452 2.426941
348.5273 2.633430
349.0095 2.773376
349.4916 2.718605
349.9737 2.460907
350.4558 2.420166
350.9379 3.009026
351.4200 3.800964
351.9022 4.081696
352.3843 3.669029
352.8664 3.161774
353.3485 2.845123
353.8306 2.735703
354.3127 2.950897
354.7949 3.647629
355.2770 4.478699
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356.7233 5.426308
357.2054 5.598709
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360.0981 7.748650
360.5803 8.443596
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362.0266 10.84365
362.5087 11.31090
362.9908 11.98660
363.4730 13.20665
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364.4372 15.70182
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367.8120 20.06606
368.2941 20.39364
368.7762 21.38625
369.2584 22.58659
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370.2226 25.63157
370.7047 27.19083
371.1868 28.71582
371.6689 30.16138
372.1511 31.52360
372.6332 32.76462
373.1153 33.66121
373.5974 33.70486
374.0795 34.06630
374.5616 35.62834
375.0438 37.93652
375.5259 39.76680
376.0080 40.41725
376.4901 40.32487
376.9722 40.97878
377.4543 43.02040
377.9365 44.92271
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378.9007 48.08571
379.3828 49.15198
379.8649 49.79347
380.3470 50.35240
380.8292 51.32150
381.3113 52.85689
381.7934 54.44713
382.2755 56.16380
382.7576 57.81763
383.2397 59.35069
383.7219 60.78201
384.2040 62.09795
384.6861 63.26862
385.1682 64.27451
385.6503 65.03175
386.1324 65.31816
386.6146 65.61601
387.0967 66.06940
387.5788 66.57286
388.0609 67.04208
388.5430 67.44467
389.0251 67.67989
389.5073 67.43526
389.9894 66.21835
390.4715 65.51134
390.9536 65.59116
391.4357 65.94969
391.9178 66.34305
392.3999 66.73441
392.8820 67.12209
393.3642 67.50978
393.8463 67.89034
394.3284 68.11130
394.8105 68.12262
395.2926 68.06633
395.7747 67.79967
396.2569 67.50662
396.7390 67.46404
397.2211 67.80472
397.7032 68.48907
398.1853 69.58122
398.6674 71.44794
399.1496 72.67232
399.6317 72.05611
400.1138 71.12703
400.5959 71.16701
401.0780 72.37651
401.5602 73.69812
402.0423 74.07762
402.5244 73.60977
403.0065 73.31178
403.4886 73.33434
403.9707 73.49985
404.4529 73.63017
404.9350 73.78047
405.4171 74.13309
405.8992 75.17258
406.3813 76.24927
406.8634 76.11481
407.3456 74.61713
407.8277 73.31836
408.3098 73.22754
408.7919 73.68555
409.2740 73.56058
409.7561 72.64311
410.2383 71.52769
410.7204 70.56737
411.2025 69.68870
411.6846 68.64919
412.1667 67.35712
412.6488 65.96427
413.1310 64.68256
413.6131 63.50550
414.0952 62.17987
414.5773 60.52816
415.0594 58.79849
415.5415 57.26476
416.0237 55.91457
416.5058 54.50780
416.9879 52.87006
417.4700 51.05103
417.9521 49.32144
418.4342 47.55876
418.9164 46.01012
419.3985 44.82889
419.8806 43.87390
420.3627 42.98082
420.8448 42.09117
421.3269 41.17487
421.8091 40.19685
422.2912 39.20248
422.7733 37.99074
423.2554 36.20992
423.7375 34.53652
424.2196 33.46204
424.7018 32.88789
425.1839 32.40965
425.6660 31.75053
426.1481 30.92723
426.6302 30.01665
427.1123 28.98910
427.5945 27.91035
428.0766 26.63351
428.5587 25.39240
429.0408 24.34911
429.5229 23.57441
430.0050 23.12995
430.4872 23.28625
430.9693 24.36088
431.4514 24.71001
431.9335 23.60076
432.4156 22.34150
432.8977 21.35561
433.3799 20.63908
433.8620 20.05271
434.3441 19.53539
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