#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:00:10 +0300 (Thu, 26 Apr 2018) $
#$Revision: 588 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000128.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_1000128
loop_
_publ_author_name
'Nagashima, M.'
'Akasada, M.'
_publ_section_title
;
 X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on
 the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal
 synthesis Sample: q=1.0, run 41
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1237
_journal_page_last               1246
_journal_paper_doi               10.2138/am.2010.3418
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2.09 Ca2 Fe0.91 H O13 Si3'
_chemical_name_mineral           Epidote
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.432
_cell_angle_gamma                90
_cell_length_a                   8.8902
_cell_length_b                   5.6366
_cell_length_c                   10.1600
_cell_volume                     459.786
_exptl_crystal_density_diffrn    3.472
_cod_original_formula_sum        'Ca2 Al2.09 Fe.91 Si3 O13 H'
_cod_database_code               9016199
_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            R110129.rod
_rod_data_source.block           3500000
_rod_database.code               1000128
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 9016199 COD http://www.crystallography.net/cod/9016199.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
160.0641 0.0000000E+00
160.5462 9.8820003E-03
161.0283 0.2517170
161.5104 0.6312730
161.9926 0.9954830
162.4747 1.308094
162.9568 1.579924
163.4389 1.793091
163.9210 1.930033
164.4031 2.085855
164.8853 2.273073
165.3674 2.520500
165.8495 2.963541
166.3316 3.642368
166.8137 4.210520
167.2958 4.318924
167.7780 4.074427
168.2601 3.829607
168.7422 3.783720
169.2243 4.005898
169.7064 4.279638
170.1885 4.366577
170.6707 4.494879
171.1528 5.028112
171.6349 5.668266
172.1170 5.809147
172.5991 5.378662
173.0812 4.666183
173.5634 4.046410
174.0455 3.588852
174.5276 3.192730
175.0097 2.854074
175.4918 2.553383
175.9739 2.241636
176.4561 1.853882
176.9382 1.345995
177.4203 0.9057900
177.9024 0.4907020
178.3845 0.1654640
178.8666 8.5910000E-03
179.3488 7.6469998E-03
179.8309 6.2771000E-02
180.3130 4.2996999E-02
180.7951 6.2905997E-02
181.2772 0.2368390
181.7593 0.6199050
182.2415 0.9729100
182.7236 1.123262
183.2057 1.029556
183.6878 0.7557620
184.1699 0.3826160
184.6520 0.2023680
185.1342 0.6549130
185.6163 0.8340720
186.0984 0.9339430
186.5805 1.190329
187.0626 1.681070
187.5447 2.245375
188.0269 2.615738
188.5090 2.789478
188.9911 2.853474
189.4732 2.752314
189.9553 2.562941
190.4374 2.415648
190.9196 2.347000
191.4017 2.332800
191.8838 2.326805
192.3659 2.319069
192.8480 2.374460
193.3301 2.532576
193.8123 2.780228
194.2944 3.071712
194.7765 3.398407
195.2586 3.766939
195.7407 4.177887
196.2228 4.630432
196.7050 5.104465
197.1871 5.564817
197.6692 6.015568
198.1513 6.554312
198.6334 7.278419
199.1155 8.034500
199.5977 8.768627
200.0798 9.465939
200.5619 10.03727
201.0440 10.37176
201.5261 10.44115
202.0082 10.48268
202.4904 10.54672
202.9725 10.57244
203.4546 10.61411
203.9367 10.63899
204.4188 10.46124
204.9009 9.742359
205.3831 8.177685
205.8652 7.020676
206.3473 6.691975
206.8294 6.462910
207.3115 5.880356
207.7936 4.894749
208.2758 3.792852
208.7579 2.972828
209.2400 2.514986
209.7221 2.202587
210.2042 2.140564
210.6863 2.124517
211.1685 2.021235
211.6506 1.802477
212.1327 1.519867
212.6148 1.237860
213.0969 0.9144570
213.5790 0.7017440
214.0612 0.6596780
214.5433 0.6818620
215.0254 0.6704330
215.5075 0.6065140
215.9896 0.5616660
216.4717 0.6420060
216.9539 0.9144690
217.4360 1.168198
217.9181 1.355728
218.4002 1.544374
218.8823 1.829521
219.3644 2.233622
219.8466 2.644360
220.3287 2.874884
220.8108 2.870667
221.2929 3.010546
221.7750 3.431704
222.2571 3.991091
222.7393 4.529245
223.2214 5.017014
223.7035 5.456150
224.1856 5.827709
224.6677 6.137356
225.1498 6.436172
225.6320 6.747293
226.1141 7.053236
226.5962 7.325573
227.0783 7.558865
227.5604 7.758419
228.0425 7.938797
228.5247 8.097538
229.0068 8.206860
229.4889 8.274063
229.9710 8.283279
230.4531 8.199020
230.9352 8.020901
231.4174 7.733482
231.8995 7.242481
232.3816 6.627426
232.8637 6.113775
233.3458 5.852386
233.8279 5.779993
234.3101 5.674311
234.7922 5.466843
235.2743 5.342827
235.7564 5.384098
236.2385 5.561359
236.7206 5.837358
237.2028 6.208780
237.6849 6.672052
238.1670 7.213415
238.6491 7.896500
239.1312 8.544575
239.6133 9.142563
240.0955 9.646986
240.5776 9.997490
241.0597 10.13823
241.5418 10.12247
242.0239 10.16435
242.5060 10.37024
242.9882 10.43912
243.4703 10.35939
243.9524 10.09421
244.4345 9.562511
244.9166 8.681770
245.3987 7.540569
245.8809 6.580353
246.3630 5.976738
246.8451 5.338310
247.3272 4.493176
247.8093 3.591440
248.2914 2.844797
248.7736 2.373827
249.2557 2.112076
249.7378 1.786886
250.2199 1.172089
250.7020 0.7892670
251.1841 0.7289430
251.6663 0.9224870
252.1484 1.342321
252.6305 1.982365
253.1126 2.735962
253.5947 3.275553
254.0768 3.205891
254.5590 3.393944
255.0411 4.071531
255.5232 4.960789
256.0053 5.743567
256.4874 6.283749
256.9695 6.704842
257.4517 7.304054
257.9338 8.312801
258.4159 9.237762
258.8980 10.11578
259.3801 10.89308
259.8622 11.43300
260.3444 11.69773
260.8265 11.92356
261.3086 12.56029
261.7907 13.94107
262.2728 15.25263
262.7549 16.36157
263.2371 17.46236
263.7192 18.72402
264.2013 20.19739
264.6834 21.85329
265.1655 23.67091
265.6476 25.74460
266.1298 27.74709
266.6119 29.53670
267.0940 31.33708
267.5761 33.29131
268.0582 35.44565
268.5403 37.86098
269.0225 40.63712
269.5046 43.85582
269.9867 47.17122
270.4688 50.66771
270.9509 54.19260
271.4330 57.63537
271.9152 60.97298
272.3973 64.24117
272.8794 67.53063
273.3615 70.83376
273.8436 73.57769
274.3257 75.84718
274.8079 77.50542
275.2900 78.59420
275.7721 79.07314
276.2542 78.45091
276.7363 76.17673
277.2184 72.28190
277.7006 68.20490
278.1827 63.85904
278.6648 59.42852
279.1469 54.94882
279.6290 50.47964
280.1111 46.24992
280.5933 42.26080
281.0754 38.71112
281.5575 35.94796
282.0396 34.30399
282.5217 33.01337
283.0038 31.64394
283.4860 30.21752
283.9681 28.84343
284.4502 27.50546
284.9323 26.35261
285.4144 25.62900
285.8965 25.44342
286.3787 25.36227
286.8608 25.14312
287.3429 24.82787
287.8250 24.55525
288.3071 24.34022
288.7892 24.22705
289.2714 24.28131
289.7535 24.52098
290.2356 24.85246
290.7177 25.19734
291.1998 25.59545
291.6819 26.17628
292.1641 27.00415
292.6462 27.96181
293.1283 28.96980
293.6104 30.01712
294.0925 30.99700
294.5746 31.76801
295.0568 32.45604
295.5389 33.36594
296.0210 34.61827
296.5031 35.83418
296.9852 36.76009
297.4673 37.41638
297.9495 37.75287
298.4316 37.71778
298.9137 37.36639
299.3958 36.77205
299.8779 35.93502
300.3600 34.85728
300.8422 33.43301
301.3243 31.77682
301.8064 30.06707
302.2885 28.19664
302.7706 26.40673
303.2527 24.98563
303.7349 23.94253
304.2170 23.05531
304.6991 22.23145
305.1812 21.51252
305.6633 20.91708
306.1454 20.39397
306.6276 20.13834
307.1097 20.44848
307.5918 21.28972
308.0739 22.06033
308.5560 22.47372
309.0381 22.81078
309.5203 23.38861
310.0024 24.23291
310.4845 25.15534
310.9666 26.05562
311.4487 26.93370
311.9308 27.80762
312.4130 28.76538
312.8951 29.57451
313.3772 30.09649
313.8593 30.33671
314.3414 30.24085
314.8235 29.76657
315.3057 28.93869
315.7878 27.76545
316.2699 26.16366
316.7520 24.42279
317.2341 22.60661
317.7162 20.81566
318.1984 19.29714
318.6805 18.22181
319.1626 17.43951
319.6447 16.72256
320.1268 16.06261
320.6089 15.51373
321.0911 15.19270
321.5732 15.00173
322.0553 14.78746
322.5374 14.43842
323.0195 14.05902
323.5016 13.85283
323.9838 13.84252
324.4659 13.89669
324.9480 13.99236
325.4301 14.08444
325.9122 14.12629
326.3943 14.11422
326.8765 14.08830
327.3586 14.12624
327.8407 14.19505
328.3228 14.11316
328.8049 13.84014
329.2870 13.38837
329.7692 12.76446
330.2513 11.98261
330.7334 11.14972
331.2155 10.33713
331.6976 9.511120
332.1797 8.569851
332.6619 7.463575
333.1440 6.352547
333.6261 5.370541
334.1082 4.485085
334.5903 3.624784
335.0724 2.754700
335.5546 1.913231
336.0367 1.142067
336.5188 0.4657400
337.0009 9.8100998E-02
337.4830 0.4938850
337.9651 0.7824150
338.4473 1.088547
338.9294 1.486660
339.4115 1.822567
339.8936 1.990747
340.3757 2.009148
340.8578 1.885349
341.3400 1.519644
341.8221 1.120239
342.3042 1.028681
342.7863 1.292839
343.2684 1.498180
343.7505 1.425720
344.2327 1.159409
344.7148 0.8829350
345.1969 0.6385710
345.6790 0.3803520
346.1611 5.6570000E-03
346.6432 0.4930210
347.1254 0.8449820
347.6075 0.8875060
348.0896 0.8160210
348.5717 0.8635430
349.0538 1.051739
349.5359 1.302200
350.0181 1.594097
350.5002 1.904503
350.9823 2.139988
351.4644 2.219795
351.9465 2.286812
352.4286 2.463886
352.9108 2.723255
353.3929 2.928244
353.8750 2.993784
354.3571 2.981339
354.8392 3.047070
355.3214 3.215136
355.8035 3.391516
356.2856 3.525431
356.7677 3.647795
357.2498 3.806725
357.7319 4.013247
358.2141 4.276049
358.6962 4.628317
359.1783 5.086838
359.6604 5.526741
360.1425 5.893093
360.6246 6.262611
361.1068 6.697292
361.5889 7.208248
362.0710 7.785212
362.5531 8.442368
363.0352 9.177114
363.5173 9.808083
363.9995 10.18922
364.4816 10.62367
364.9637 11.39328
365.4458 12.33993
365.9279 13.03801
366.4100 13.24430
366.8922 13.10442
367.3743 13.08870
367.8564 13.57346
368.3385 13.64762
368.8206 12.92990
369.3027 11.85317
369.7849 10.92959
370.2670 10.30139
370.7491 9.731010
371.2312 8.867718
371.7133 7.536932
372.1954 6.469629
372.6776 5.816174
373.1597 5.280689
373.6418 4.705059
374.1239 4.076405
374.6060 3.431683
375.0881 2.781771
375.5703 2.133299
376.0524 1.624996
376.5345 1.316944
377.0166 1.072601
377.4987 0.9417210
377.9808 0.8346390
378.4630 0.5703890
378.9451 6.3184999E-02
379.4272 0.4983220
379.9093 0.6353610
380.3914 8.8776000E-02
380.8735 0.5109410
381.3557 0.3786200
381.8378 0.1124060
382.3199 5.8980002E-03
382.8020 7.6866001E-02
383.2841 0.2732810
383.7662 0.4927710
384.2484 0.7363590
384.7305 1.003092
385.2126 1.378595
385.6947 1.694519
386.1768 1.809719
386.6589 1.828524
387.1411 1.992092
387.6232 2.494709
388.1053 3.172722
388.5874 3.403883
389.0695 2.930326
389.5516 2.483671
390.0338 2.230474
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390.9980 1.980719
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392.4443 1.451733
392.9265 0.8152540
393.4086 0.2474440
393.8907 0.1941950
394.3728 0.5640680
394.8549 0.9155460
395.3370 1.254457
395.8192 1.538857
396.3013 1.768341
396.7834 1.933008
397.2655 1.959011
397.7476 1.795067
398.2297 1.577576
398.7119 1.299170
399.1940 1.009586
399.6761 0.8274480
400.1582 0.8712790
400.6403 0.9158360
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402.5688 0.7729470
403.0509 1.165352
403.5330 1.789532
404.0151 2.651426
404.4973 3.651838
404.9794 4.781574
405.4615 5.982721
405.9436 7.169113
406.4257 8.323063
406.9078 9.494053
407.3900 10.69724
407.8721 11.93990
408.3542 13.26740
408.8363 14.70343
409.3184 16.20258
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410.2827 19.31077
410.7648 20.83804
411.2469 22.22879
411.7290 23.66736
412.2111 25.65250
412.6932 28.45667
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413.6575 32.82602
414.1396 34.49488
414.6217 36.74739
415.1038 39.68694
415.5859 42.94053
416.0681 46.11993
416.5502 49.18200
417.0323 52.72443
417.5144 56.93036
417.9965 61.33299
418.4786 65.79095
418.9608 70.29395
419.4429 74.90814
419.9250 79.66701
420.4071 84.52174
420.8892 89.35408
421.3713 94.24950
421.8535 98.94194
422.3356 103.9602
422.8177 108.4507
423.2998 111.7786
423.7819 113.8601
424.2640 114.9365
424.7462 115.2808
425.2283 114.9162
425.7104 113.4877
426.1925 110.7088
426.6746 107.0496
427.1567 102.1009
427.6389 96.48969
428.1210 91.11475
428.6031 86.37692
429.0852 82.17311
429.5673 78.25713
430.0494 74.48167
430.5316 71.49294
431.0137 69.87860
431.4958 68.87007
431.9779 68.04559
432.4600 67.37171
432.9421 67.06120
433.4243 67.36063
433.9064 68.17685
434.3885 69.08730
434.8706 70.02045
435.3527 71.18094
435.8348 72.74704
436.3170 74.61698
436.7991 76.66602
437.2812 78.82399
437.7633 81.20116
438.2454 84.02013
438.7275 87.21124
439.2097 90.35735
439.6918 93.24316
440.1739 96.10629
440.6560 99.22023
441.1381 102.5435
441.6202 106.3643
442.1024 110.9478
442.5845 115.9516
443.0666 120.8918
443.5487 125.7564
444.0308 130.9330
444.5129 136.7392
444.9951 143.1199
445.4772 149.7253
445.9593 156.5789
446.4414 163.5468
446.9235 170.5497
447.4056 177.6542
447.8878 185.1092
448.3699 192.9854
448.8520 200.8447
449.3341 208.0778
449.8162 214.5797
450.2983 220.6092
450.7805 226.2268
451.2626 231.3863
451.7447 236.1063
452.2268 240.3421
452.7089 244.0986
453.1910 247.4222
453.6732 250.1450
454.1553 251.5424
454.6374 251.7470
455.1195 250.2327
455.6016 247.3587
456.0837 242.7867
456.5659 236.0331
457.0480 227.0520
457.5301 216.6969
458.0122 205.7280
458.4943 194.1023
458.9764 181.6489
459.4586 167.5885
459.9407 153.8820
460.4228 141.6313
460.9049 130.4095
461.3870 119.3993
461.8691 108.0861
462.3513 97.26255
462.8334 88.09444
463.3155 80.53935
463.7976 73.47672
464.2797 66.48566
464.7618 59.97696
465.2440 54.49348
465.7261 50.01390
466.2082 45.86152
466.6903 41.71193
467.1724 37.79863
467.6545 34.42942
468.1367 31.62901
468.6188 29.17173
469.1009 26.96171
469.5830 24.98701
470.0651 23.11854
470.5472 21.35669
471.0294 19.69992
471.5115 18.16547
471.9936 16.75631
472.4757 15.45861
472.9578 14.27049
473.4399 13.21285
473.9221 12.33319
474.4042 11.67532
474.8863 10.96647
475.3684 10.10303
475.8505 9.269924
476.3326 8.503134
476.8148 7.824219
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