#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:00:15 +0300 (Thu, 24 May 2018) $
#$Revision: 858 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100023.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_8100023
loop_
_publ_author_name
'Demartin, F.'
'Pilati, T.'
'Gay, H. D.'
'Gramaccioli, C. M.'
_publ_section_title
;
 The crystal structure of a mineral related to paulkerrite Locality:
 granitic pegmatites in Cerro Blanco, Tanti, Cordoba, Argentina
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              57
_journal_page_last               71
_journal_volume                  208
_journal_year                    1993
_chemical_compound_source        R130130
_chemical_formula_sum
'Al0.14 F0.8 Fe1.78 H23.2 K0.32 Mg0.08 Mn1.5 O32.76 P4 Ti1.56'
_chemical_name_mineral           Benyacarite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.561
_cell_length_b                   20.585
_cell_length_c                   12.516
_cell_volume                     2720.956
_exptl_crystal_density_diffrn    2.347
_cod_original_formula_sum
'Mn1.5 Fe1.78 Mg.08 Ti1.56 Al.14 P4 F.8 O32.76 K.32 H23.2'
_cod_database_code               9008434
_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            R130130.rod
_rod_data_source.block           3500000
_rod_database.code               8100023
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 9008434 COD http://www.crystallography.net/cod/9008434.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
212.3014 0.0000000E+00
212.7835 4.1655999E-02
213.2656 0.1553650
213.7477 0.8238830
214.2299 2.840302
214.7120 6.025970
215.1941 10.72968
215.6762 15.25720
216.1583 19.03915
216.6404 21.91296
217.1226 25.55112
217.6047 30.37253
218.0868 35.41357
218.5689 39.54816
219.0510 42.47650
219.5331 45.21881
220.0153 48.09119
220.4974 51.13940
220.9795 53.95093
221.4616 56.55566
221.9437 58.96436
222.4258 61.23065
222.9080 63.33441
223.3901 65.22437
223.8722 66.92419
224.3543 68.51300
224.8364 69.39801
225.3185 69.26831
225.8007 68.68890
226.2828 68.45660
226.7649 69.04376
227.2470 68.99597
227.7291 67.84296
228.2112 65.43988
228.6934 62.88196
229.1755 60.18652
229.6576 57.31244
230.1397 54.24243
230.6218 50.84821
231.1039 47.56439
231.5861 44.85895
232.0682 41.68658
232.5503 38.94061
233.0324 36.75092
233.5145 34.57635
233.9966 32.02954
234.4788 28.96436
234.9609 25.81763
235.4430 22.61090
235.9251 19.27002
236.4072 16.44446
236.8893 14.17358
237.3715 12.22467
237.8536 10.53180
238.3357 9.104187
238.8178 7.855469
239.2999 6.742737
239.7820 5.757446
240.2642 4.986694
240.7463 4.467529
241.2284 4.106262
241.7105 3.785583
242.1926 3.469788
242.6747 3.243835
243.1569 3.149536
243.6390 3.202209
244.1211 3.246704
244.6032 3.407471
245.0853 3.450867
245.5674 3.051208
246.0496 1.878479
246.5317 0.8834840
247.0138 0.2782590
247.4959 8.7096997E-02
247.9780 0.1723020
248.4601 1.021484
248.9423 1.694153
249.4244 0.9335940
249.9065 2.452728
250.3886 4.854645
250.8707 5.147095
251.3528 3.197083
251.8350 2.144531
252.3171 2.539032
252.7992 3.243103
253.2813 2.996216
253.7634 1.187744
254.2455 0.2102970
254.7277 0.6431880
255.2098 8.1786998E-02
255.6919 2.4567001E-02
256.1740 0.5498960
256.6561 1.276276
257.1382 1.627014
257.6204 1.427338
258.1025 1.282867
258.5846 1.429382
259.0667 1.829132
259.5488 1.524902
260.0309 5.4474000E-02
260.5131 1.421906
260.9952 1.755005
261.4773 0.4906010
261.9594 0.6590580
262.4415 1.444336
262.9236 1.887451
263.4058 2.059387
263.8879 1.749237
264.3700 1.533936
264.8521 1.995667
265.3342 3.475403
265.8163 4.462799
266.2985 4.618958
266.7806 4.091125
267.2627 3.731812
267.7448 3.648956
268.2269 3.505829
268.7090 2.907227
269.1912 1.586487
269.6733 0.9493710
270.1554 1.133850
270.6375 2.072937
271.1196 2.362061
271.6017 1.738739
272.0839 1.148468
272.5660 1.392029
273.0481 2.667206
273.5302 3.438721
274.0123 3.459473
274.4944 2.958282
274.9766 2.533844
275.4587 2.160645
275.9408 1.977814
276.4229 2.159607
276.9050 2.745483
277.3871 3.209717
277.8693 3.484009
278.3514 3.661255
278.8335 3.784088
279.3156 3.750122
279.7977 4.262665
280.2798 6.161530
280.7620 9.445984
281.2441 11.44794
281.7262 11.74295
282.2083 11.23538
282.6904 11.43665
283.1725 12.36469
283.6547 13.67368
284.1368 15.31125
284.6189 17.23709
285.1010 19.15579
285.5831 21.09055
286.0652 22.92981
286.5474 24.44745
287.0295 25.65033
287.5116 26.86212
287.9937 28.15851
288.4758 29.57288
288.9579 31.30939
289.4401 33.43881
289.9222 35.59225
290.4043 37.33496
290.8864 38.69482
291.3685 39.86740
291.8506 40.64737
292.3328 41.32446
292.8149 42.94131
293.2970 45.57227
293.7791 48.27481
294.2612 49.97571
294.7433 50.88226
295.2255 51.77057
295.7076 52.72711
296.1897 53.91473
296.6718 55.76593
297.1539 58.25980
297.6360 60.89691
298.1182 63.52820
298.6003 65.97351
299.0824 67.79004
299.5645 68.62915
300.0466 69.03348
300.5287 69.55789
301.0109 70.24258
301.4930 71.39557
301.9751 73.69788
302.4572 76.53824
302.9393 78.84705
303.4214 80.37653
303.9036 81.39288
304.3857 81.90118
304.8678 82.06012
305.3499 82.44592
305.8320 83.75629
306.3141 85.36484
306.7963 86.39801
307.2784 86.50626
307.7605 86.61032
308.2426 87.80612
308.7247 89.68073
309.2068 91.17426
309.6890 90.84207
310.1711 90.27875
310.6532 91.05643
311.1353 93.58508
311.6174 96.31036
312.0995 98.32330
312.5817 99.77362
313.0638 100.9617
313.5459 101.6115
314.0280 102.3415
314.5101 103.3942
314.9922 104.7643
315.4744 106.8474
315.9565 111.1581
316.4386 115.8638
316.9207 118.8387
317.4028 117.1979
317.8849 115.7920
318.3671 117.3570
318.8492 121.7441
319.3313 124.6568
319.8134 123.1552
320.2955 120.3394
320.7776 118.7067
321.2598 119.5932
321.7419 120.8301
322.2240 122.1280
322.7061 123.4281
323.1882 124.4750
323.6703 125.1362
324.1525 125.5760
324.6346 125.8710
325.1167 125.7484
325.5988 125.8623
326.0809 126.5265
326.5630 127.4967
327.0452 128.1066
327.5273 128.1525
328.0094 128.1120
328.4915 128.1854
328.9736 128.4296
329.4557 128.2369
329.9379 127.0729
330.4200 125.7222
330.9021 125.4182
331.3842 127.0938
331.8663 128.4743
332.3484 128.7905
332.8306 127.7238
333.3127 126.5406
333.7948 125.2616
334.2769 124.1693
334.7590 123.6266
335.2411 124.2056
335.7233 124.0462
336.2054 122.5516
336.6875 119.7989
337.1696 117.5450
337.6517 115.9795
338.1339 114.5015
338.6160 112.6682
339.0981 110.4122
339.5802 108.0594
340.0623 105.6768
340.5444 103.2259
341.0266 100.7224
341.5087 98.14285
341.9908 95.47083
342.4729 92.68326
342.9550 89.80127
343.4371 86.50854
343.9193 82.68625
344.4014 78.67328
344.8835 75.35141
345.3656 72.71411
345.8477 69.75348
346.3298 65.61380
346.8120 60.63510
347.2941 56.60040
347.7762 53.62198
348.2583 51.00082
348.7404 47.86209
349.2225 44.33423
349.7047 40.95224
350.1868 38.01328
350.6689 35.32178
351.1510 32.37689
351.6331 29.20099
352.1152 26.23788
352.5974 23.88657
353.0795 22.00125
353.5616 20.34366
354.0437 18.97943
354.5258 17.65286
355.0079 16.09467
355.4901 14.33496
355.9722 12.46744
356.4543 10.12808
356.9364 7.919006
357.4185 6.504486
357.9006 6.223572
358.3828 6.162476
358.8649 5.613708
359.3470 4.868225
359.8291 4.502472
360.3112 5.179932
360.7933 6.002869
361.2755 6.403320
361.7576 6.270386
362.2397 6.128082
362.7218 6.070099
363.2039 6.140106
363.6860 6.387177
364.1682 6.737518
364.6503 7.347748
365.1324 8.330933
365.6145 9.675323
366.0966 11.09302
366.5787 12.72510
367.0609 14.29993
367.5430 15.64371
368.0251 16.56250
368.5072 17.46899
368.9893 18.44791
369.4714 19.44458
369.9536 20.26212
370.4357 20.79630
370.9178 21.26318
371.3999 21.75385
371.8820 22.30768
372.3641 22.77820
372.8463 23.14075
373.3284 23.43686
373.8105 23.74057
374.2926 24.10370
374.7747 24.35135
375.2568 24.43936
375.7390 24.36172
376.2211 24.10492
376.7032 23.64075
377.1853 23.02435
377.6674 22.20026
378.1495 21.11688
378.6317 20.29987
379.1138 20.07239
379.5959 20.03448
380.0780 18.71356
380.5601 16.01974
381.0422 13.15692
381.5244 10.96552
382.0065 9.323181
382.4886 7.666687
382.9707 5.879578
383.4528 4.189880
383.9349 3.110992
384.4171 2.488739
384.8992 1.508392
385.3813 0.9998780
385.8634 3.912842
386.3455 5.041870
386.8276 4.248840
387.3098 3.327179
387.7919 4.090485
388.2740 5.779510
388.7561 7.061279
389.2382 7.917084
389.7203 7.815979
390.2025 5.379578
390.6846 1.205170
391.1667 1.930420
391.6488 1.790558
392.1309 0.2837830
392.6130 1.065155
393.0952 1.969482
393.5773 2.598602
394.0594 3.011108
394.5415 3.179596
395.0236 3.053925
395.5057 2.460846
395.9879 1.701904
396.4700 0.9059450
396.9521 0.1002500
397.4342 0.8833010
397.9163 1.832458
398.3984 3.088348
398.8806 4.962524
399.3627 9.392517
399.8448 12.21268
400.3269 12.00693
400.8090 9.327362
401.2911 8.442169
401.7733 10.45630
402.2554 12.93393
402.7375 14.53781
403.2196 14.61267
403.7017 15.52585
404.1838 17.64700
404.6660 20.35495
405.1481 22.38181
405.6302 23.53821
406.1123 24.74957
406.5944 26.40021
407.0765 28.46576
407.5587 30.31702
408.0408 31.94504
408.5229 33.41312
409.0050 34.66675
409.4871 35.73151
409.9692 37.11453
410.4514 39.15814
410.9335 41.32138
411.4156 42.37369
411.8977 42.38168
412.3798 42.17969
412.8619 42.40704
413.3441 42.80820
413.8262 42.78922
414.3083 42.19833
414.7904 41.62073
415.2725 41.77631
415.7546 42.36053
416.2368 42.72595
416.7189 42.37534
417.2010 41.84885
417.6831 41.55887
418.1652 41.51038
418.6473 41.49057
419.1295 41.43243
419.6116 41.33182
420.0937 41.17508
420.5758 40.72540
421.0579 40.54333
421.5400 41.11105
422.0222 42.08380
422.5043 42.60782
422.9864 41.72375
423.4685 41.03354
423.9506 41.18610
424.4327 42.45236
424.9149 43.82150
425.3970 45.75159
425.8791 47.49759
426.3612 48.23264
426.8433 46.81244
427.3254 46.22134
427.8076 47.14697
428.2897 49.35303
428.7718 51.16702
429.2539 52.46762
429.7360 53.58124
430.2181 54.61264
430.7003 55.50351
431.1824 56.70190
431.6645 58.27481
432.1466 60.07355
432.6287 61.78638
433.1108 63.40063
433.5930 65.28217
434.0751 67.78726
434.5572 70.64465
435.0393 72.77917
435.5214 74.16772
436.0035 75.64951
436.4857 78.24698
436.9678 81.48782
437.4499 84.21329
437.9320 85.98642
438.4141 87.52368
438.8962 89.46240
439.3784 91.78302
439.8605 94.43289
440.3426 97.73660
440.8247 101.1230
441.3068 104.2020
441.7889 106.9174
442.2711 109.2720
442.7532 111.0341
443.2353 112.4066
443.7174 113.6523
444.1995 115.1113
444.6816 116.5047
445.1638 117.6960
445.6459 118.6257
446.1280 119.4652
446.6101 120.5168
447.0922 121.3228
447.5743 121.7421
448.0565 121.8927
448.5386 121.9528
449.0207 121.5898
449.5028 121.0352
449.9849 120.7708
450.4670 120.9751
450.9492 121.0350
451.4313 120.8535
451.9134 120.4511
452.3955 119.9113
452.8776 119.3036
453.3597 118.5152
453.8419 117.3560
454.3240 115.8476
454.8061 114.4597
455.2882 113.2127
455.7703 112.2143
456.2524 111.9149
456.7346 112.2001
457.2167 112.2146
457.6988 111.2274
458.1809 109.8560
458.6630 109.3516
459.1451 109.6718
459.6273 109.8412
460.1094 108.4721
460.5915 106.6920
461.0736 106.0692
461.5557 107.3214
462.0378 108.9324
462.5200 109.8140
463.0021 110.3560
463.4842 111.3201
463.9663 113.4514
464.4484 115.6564
464.9305 117.3493
465.4127 118.4802
465.8948 119.7451
466.3769 121.3939
466.8590 123.1333
467.3411 124.7459
467.8232 125.4437
468.3054 127.1361
468.7875 130.4073
469.2696 134.5891
469.7517 138.0672
470.2338 140.5551
470.7159 142.8375
471.1981 145.1010
471.6802 147.3332
472.1623 150.0018
472.6444 153.2346
473.1265 156.4856
473.6086 159.1100
474.0908 161.1153
474.5729 163.1781
475.0550 165.5010
475.5371 167.8046
476.0192 169.5212
476.5013 170.6962
476.9835 171.6899
477.4656 172.8769
477.9477 173.9702
478.4298 174.4098
478.9119 174.1555
479.3940 173.6912
479.8762 173.5802
480.3583 173.4402
480.8404 172.7587
481.3225 171.2314
481.8046 169.3380
482.2867 167.3235
482.7689 165.1420
483.2510 162.6685
483.7331 159.9327
484.2152 156.8482
484.6973 153.2567
485.1794 148.9704
485.6616 144.9791
486.1437 141.6815
486.6258 138.5324
487.1079 135.1000
487.5900 131.4453
488.0721 127.3094
488.5543 122.4023
489.0364 117.0786
489.5185 112.4896
490.0006 108.8979
490.4827 105.3255
490.9648 101.4268
491.4470 97.19073
491.9291 92.67923
492.4112 87.83914
492.8933 83.11526
493.3754 79.02890
493.8575 75.46680
494.3397 72.00403
494.8218 68.59735
495.3039 65.23599
495.7860 61.98389
496.2681 58.82594
496.7502 55.71962
497.2324 52.49588
497.7145 49.36253
498.1966 46.57516
498.6787 44.11797
499.1608 41.66306
499.6429 38.86807
500.1251 36.06299
500.6072 33.44077
501.0893 30.95494
501.5714 28.83241
502.0535 27.37154
502.5356 26.28374
503.0178 24.90326
503.4999 23.04530
503.9820 20.99185
504.4641 18.71030
504.9462 16.17517
505.4283 14.08907
505.9105 12.54712
506.3926 11.34216
506.8747 10.40860
507.3568 9.820770
507.8389 9.005508
508.3210 7.854645
508.8032 6.597198
509.2853 5.737579
509.7674 5.241104
510.2495 4.534988
510.7316 3.030869
511.2137 1.295792
511.6959 0.7861790
512.1780 1.411499
512.6601 1.916718
513.1422 1.163620
513.6243 0.1642300
514.1064 1.220245
514.5886 1.848679
515.0707 2.226685
515.5528 2.245651
516.0349 2.132401
516.5170 2.222183
516.9991 2.900314
517.4813 3.507889
517.9634 3.795761
518.4455 3.793060
518.9276 3.788544
519.4097 3.826401
519.8918 3.853668
520.3740 3.861053
520.8561 3.893448
521.3382 3.757553
521.8203 3.375824
522.3024 2.922256
522.7845 2.625961
523.2667 2.535797
523.7488 2.331955
524.2309 1.905273
524.7130 1.371735
525.1951 1.056381
525.6772 0.9539790
526.1594 0.8171080
526.6415 0.4775540
527.1236 6.8049999E-03
527.6057 0.4877780
528.0878 1.006439
528.5699 1.393234
529.0521 1.459412
529.5342 1.338196
530.0163 1.185196
530.4984 0.9818120
530.9805 0.8732450
531.4626 0.9561310
531.9448 1.192078
532.4269 1.506195
532.9090 1.860764
533.3911 2.300797
533.8732 3.003067
534.3553 3.983368
534.8375 4.395905
535.3196 3.737228
535.8017 2.986572
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1285.975 1.182037
1286.457 1.522934
1286.939 1.468750
1287.422 0.7739870
1287.904 0.4780040
1288.386 0.8499070
1288.868 1.302483
1289.350 1.043625
1289.832 0.5987550
1290.314 0.5786900
1290.796 0.9213490
1291.279 1.130898
1291.761 1.194664
1292.243 1.238525
1292.725 1.281654
1293.207 1.252121
1293.689 0.9125370
1294.171 0.6587600
1294.653 0.9759980
1295.135 1.450241
1295.618 1.279961
1296.100 0.5498200
1296.582 6.9199003E-02
1297.064 7.8681998E-02
1297.546 4.2488001E-02
1298.028 0.1347500
1298.510 0.4018480
1298.992 0.8304440
1299.475 1.213425
1299.957 1.042381
1300.439 0.7934340
1300.921 0.3889540
1301.403 1.0700000E-04
1301.885 0.0000000E+00
