#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:21:01 +0300 (Thu, 24 May 2018) $
#$Revision: 663 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000190.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_1000190
loop_
_publ_author_name
'Yakubovich, O. V.'
'Simonov, M. A.'
'Matvienko, E. N.'
'Belov, N. V.'
_publ_section_title
;
 The crystal structure of the synthetic finite Fe-term of the series
 triplite - zwieselite Fe2(PO4)F
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              576
_journal_page_last               579
_journal_volume                  238
_journal_year                    1978
_chemical_compound_source        R050279
_chemical_formula_sum            'F Fe2 O4 P'
_chemical_name_mineral           Zwieselite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2a'
_symmetry_space_group_name_H-M   'I 1 1 2/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                107.72
_cell_length_a                   11.999
_cell_length_b                   9.890
_cell_length_c                   6.489
_cell_volume                     733.516
_exptl_crystal_density_diffrn    4.087
_cod_original_formula_sum        'Fe2 P O4 F'
_cod_database_code               9009539
_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            R050279.rod
_rod_data_source.block           3500000
_rod_database.code               1000190
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 9009539 COD http://www.crystallography.net/cod/9009539.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
135.9318 0.0000000E+00
136.4139 0.1028750
136.8960 0.8582460
137.3782 2.148956
137.8603 3.623871
138.3424 4.862335
138.8245 5.485535
139.3066 5.371674
139.7887 5.427155
140.2709 5.776123
140.7530 6.289124
141.2351 6.522522
141.7172 6.371948
142.1993 6.150391
142.6814 6.020752
143.1636 5.904968
143.6457 6.046234
144.1278 6.510895
144.6099 7.254730
145.0920 7.956635
145.5741 8.428253
146.0563 9.034332
146.5384 10.05057
147.0205 11.63483
147.5026 13.37006
147.9847 15.48456
148.4668 18.03342
148.9490 19.50934
149.4311 19.00027
149.9132 17.98514
150.3953 17.83606
150.8774 19.36774
151.3595 20.87350
151.8417 22.14490
152.3238 23.22012
152.8059 23.92972
153.2880 24.03085
153.7701 23.86649
154.2522 23.78400
154.7344 23.87167
155.2165 23.95444
155.6986 24.03973
156.1807 24.19751
156.6628 24.06128
157.1449 22.98239
157.6271 21.70837
158.1092 21.25058
158.5913 23.38675
159.0734 25.13223
159.5555 24.95578
160.0376 21.76819
160.5198 19.32724
161.0019 19.38647
161.4840 20.86490
161.9661 21.90048
162.4482 21.37811
162.9303 20.57462
163.4125 20.26508
163.8946 20.83630
164.3767 21.31033
164.8588 20.92752
165.3409 20.09189
165.8230 19.75485
166.3052 20.74756
166.7873 22.17795
167.2694 23.34576
167.7515 23.96060
168.2336 24.54065
168.7157 25.69684
169.1978 27.30823
169.6800 28.33334
170.1621 28.36365
170.6442 28.18808
171.1263 28.43311
171.6084 29.31540
172.0905 30.22327
172.5727 30.52921
173.0548 30.45877
173.5369 30.44757
174.0190 31.11438
174.5011 31.88770
174.9832 31.93631
175.4654 30.76810
175.9475 29.08969
176.4296 27.32297
176.9117 25.53311
177.3938 24.33722
177.8759 24.80072
178.3581 26.13623
178.8402 26.82529
179.3223 26.11270
179.8044 24.85254
180.2865 24.13812
180.7686 23.83771
181.2508 23.77319
181.7329 23.16479
182.2150 22.34109
182.6971 22.03436
183.1792 22.15646
183.6613 22.41147
184.1435 21.70026
184.6256 19.98547
185.1077 18.11331
185.5898 16.72375
186.0719 15.80502
186.5540 15.21558
187.0362 15.16431
187.5183 15.35580
188.0004 14.87369
188.4825 13.64694
188.9646 12.33817
189.4467 11.80313
189.9289 11.93399
190.4110 11.80768
190.8931 10.86670
191.3752 9.410522
191.8573 8.793060
192.3394 9.154633
192.8216 9.639984
193.3037 8.992371
193.7858 7.224579
194.2679 5.934662
194.7500 6.018616
195.2321 7.163025
195.7143 7.280182
196.1964 6.190857
196.6785 4.623199
197.1606 3.403198
197.6427 2.516907
198.1248 1.924286
198.6070 1.733429
199.0891 1.901459
199.5712 1.765991
200.0533 1.282288
200.5354 0.6065370
201.0175 0.1610720
201.4997 1.088684
201.9818 1.640472
202.4639 1.449982
202.9460 0.5125120
203.4281 6.8878002E-02
203.9102 0.2135930
204.3924 0.6687010
204.8745 1.085541
205.3566 1.477905
205.8387 1.758209
206.3208 1.888733
206.8029 1.868408
207.2851 1.746826
207.7672 1.544861
208.2493 1.211151
208.7314 0.6035460
209.2135 0.3834840
209.6956 1.289734
210.1778 1.992035
210.6599 2.510223
211.1420 2.616180
211.6241 2.152832
212.1062 1.457947
212.5883 1.074554
213.0705 1.098724
213.5526 1.153595
214.0347 1.046234
214.5168 0.6936950
214.9989 0.7780150
215.4810 1.514404
215.9632 2.473969
216.4453 2.903351
216.9274 2.562378
217.4095 2.266327
217.8916 2.338989
218.3737 2.874908
218.8559 3.220856
219.3380 3.374664
219.8201 3.341095
220.3022 3.082031
220.7843 2.471954
221.2664 1.924103
221.7486 1.623352
222.2307 1.670380
222.7128 1.447113
223.1949 0.7814030
223.6770 5.7069999E-03
224.1591 0.3468930
224.6413 7.1533002E-02
225.1234 0.3242490
225.6055 3.5918999E-02
226.0876 0.9775390
226.5697 1.553650
227.0518 1.433563
227.5340 1.077454
228.0161 1.277008
228.4982 2.620544
228.9803 3.455536
229.4624 3.126587
229.9445 1.297180
230.4267 6.0608000E-02
230.9088 0.3399960
231.3909 0.3490910
231.8730 0.5997920
232.3551 1.225708
232.8372 1.859955
233.3194 2.406891
233.8015 2.864105
234.2836 3.276581
234.7657 3.662811
235.2478 3.993561
235.7299 4.187744
236.2121 4.000763
236.6942 4.111755
237.1763 4.769379
237.6584 6.068359
238.1405 7.252228
238.6226 8.396240
239.1048 9.342957
239.5869 9.825226
240.0690 9.422485
240.5511 9.313690
241.0332 9.936096
241.5153 11.43591
241.9975 12.30994
242.4796 12.15323
242.9617 11.71851
243.4438 11.84338
243.9259 12.70251
244.4080 13.82837
244.8902 15.31488
245.3723 17.23367
245.8544 18.36606
246.3365 18.36331
246.8186 17.91061
247.3007 17.66052
247.7829 17.64127
248.2650 17.77420
248.7471 18.08734
249.2292 18.58701
249.7113 19.00870
250.1934 19.28955
250.6756 19.55914
251.1577 19.95407
251.6398 20.57431
252.1219 21.11652
252.6040 21.58151
253.0861 21.95621
253.5683 21.98865
254.0504 21.52325
254.5325 20.90179
255.0146 20.35361
255.4967 19.75513
255.9788 19.54172
256.4609 19.99286
256.9431 20.97131
257.4252 21.29218
257.9073 20.69476
258.3894 19.80826
258.8715 19.02713
259.3536 18.23880
259.8358 17.69989
260.3179 17.49838
260.8000 17.65875
261.2821 18.12482
261.7642 19.17599
262.2463 19.97473
262.7285 19.88220
263.2106 18.51736
263.6927 17.50970
264.1748 17.09717
264.6569 17.13754
265.1390 17.08398
265.6212 16.91068
266.1033 16.72498
266.5854 16.58438
267.0675 16.48965
267.5496 16.46121
268.0317 16.53217
268.5139 16.65335
268.9960 16.59964
269.4781 16.17242
269.9602 16.09921
270.4423 16.92471
270.9244 18.92395
271.4066 20.38141
271.8887 21.16937
272.3708 21.49130
272.8529 21.70255
273.3350 21.78128
273.8171 21.82236
274.2993 21.86142
274.7814 21.89798
275.2635 21.90311
275.7456 21.82706
276.2277 21.79196
276.7098 22.10025
277.1920 22.85590
277.6741 23.36014
278.1562 23.21350
278.6383 22.41788
279.1204 22.12213
279.6025 22.50613
280.0847 22.95602
280.5668 22.51913
281.0489 21.08853
281.5310 19.82916
282.0131 19.20285
282.4952 19.17764
282.9774 19.09641
283.4595 18.92969
283.9416 18.63629
284.4237 18.24652
284.9058 17.80841
285.3879 17.32458
285.8701 16.70660
286.3522 15.94388
286.8343 15.39963
287.3164 15.20380
287.7985 14.95703
288.2806 14.02316
288.7628 12.42990
289.2449 10.94446
289.7270 9.546570
290.2091 8.544067
290.6912 9.088776
291.1733 11.18787
291.6555 13.09137
292.1376 13.18851
292.6197 11.86737
293.1018 10.93140
293.5839 10.74756
294.0660 10.97232
294.5482 11.01324
295.0303 10.87973
295.5124 10.88809
295.9945 11.45715
296.4766 12.35724
296.9587 12.90573
297.4409 13.01025
297.9230 12.84396
298.4051 12.52875
298.8872 12.16776
299.3693 11.90860
299.8514 11.88110
300.3336 12.01630
300.8157 12.21582
301.2978 12.47958
301.7799 12.75781
302.2620 12.95123
302.7441 13.12061
303.2263 13.44830
303.7084 13.99640
304.1905 14.68179
304.6726 15.54990
305.1547 16.61090
305.6368 17.41360
306.1190 17.17529
306.6011 16.42950
307.0832 16.12115
307.5653 16.93491
308.0474 18.07147
308.5295 19.07144
309.0117 19.92389
309.4938 20.18912
309.9759 19.06009
310.4580 17.36545
310.9401 16.12567
311.4222 15.73907
311.9044 15.71338
312.3865 15.89133
312.8686 16.21286
313.3507 16.45520
313.8328 16.31302
314.3149 16.13101
314.7971 16.23706
315.2792 16.86313
315.7613 17.42371
316.2434 17.61185
316.7255 17.52023
317.2076 17.36768
317.6898 17.22610
318.1719 17.00415
318.6540 16.65128
319.1361 16.10980
319.6182 15.68121
320.1003 15.98712
320.5825 16.34674
321.0646 15.82364
321.5467 12.66965
322.0288 9.934723
322.5109 8.965454
322.9930 10.05151
323.4752 10.99759
323.9573 11.29443
324.4394 11.29248
324.9215 11.30701
325.4036 11.70581
325.8857 11.78290
326.3679 11.25000
326.8500 10.13464
327.3321 9.172760
327.8142 8.185394
328.2963 7.513184
328.7784 7.363403
329.2606 8.785858
329.7427 9.437653
330.2248 8.695648
330.7069 7.020721
331.1890 6.253540
331.6711 7.261566
332.1533 8.242279
332.6354 8.432617
333.1175 7.477020
333.5996 6.466156
334.0817 5.041473
334.5638 3.715912
335.0460 3.619415
335.5281 5.688629
336.0102 7.233368
336.4923 7.163574
336.9744 5.152832
337.4565 4.094940
337.9387 4.429993
338.4208 5.114807
338.9029 4.688965
339.3850 2.676788
339.8671 1.441162
340.3492 1.848938
340.8313 3.604156
341.3134 4.177460
341.7956 3.290497
342.2777 2.144470
342.7598 1.793945
343.2419 2.284912
343.7240 2.672516
344.2061 2.812347
344.6883 2.772461
345.1704 2.669800
345.6525 2.497742
346.1346 2.376251
346.6167 2.445648
347.0988 2.656219
347.5810 2.655548
348.0631 2.342499
348.5452 2.014923
349.0273 2.315552
349.5094 3.101501
349.9915 3.496979
350.4737 2.702759
350.9558 1.260620
351.4379 0.3003540
351.9200 0.1783750
352.4021 8.2275003E-02
352.8842 1.306000
353.3664 3.346832
353.8485 4.570923
354.3306 4.223724
354.8127 3.023132
355.2948 1.409454
355.7769 0.4994200
356.2591 1.873291
356.7412 1.689697
357.2233 0.8317870
357.7054 0.3392330
358.1875 0.5975950
358.6696 0.9989010
359.1518 1.046722
359.6339 0.8962400
360.1160 0.9287720
360.5981 1.722626
361.0802 2.493622
361.5623 2.602386
362.0445 1.802734
362.5266 1.140472
363.0087 1.286072
363.4908 1.765228
363.9729 1.974152
364.4550 1.612823
364.9372 1.077484
365.4193 0.3899540
365.9014 0.4487920
366.3835 1.043152
366.8656 1.273132
367.3477 1.250519
367.8299 1.064331
368.3120 0.2861330
368.7941 0.1476440
369.2762 6.4971998E-02
369.7583 0.7627260
370.2404 1.202850
370.7226 0.9877320
371.2047 0.9024660
371.6868 1.369720
372.1689 3.048462
372.6510 3.734833
373.1331 2.976685
373.6153 1.490326
374.0974 0.3879390
374.5795 0.3807980
375.0616 0.6223140
375.5437 0.1266170
376.0258 1.122955
376.5080 2.052612
376.9901 2.540314
377.4722 2.936035
377.9543 3.665283
378.4364 4.807434
378.9185 5.679047
379.4007 6.141388
379.8828 6.242188
380.3649 6.010010
380.8470 5.406372
381.3291 4.814117
381.8112 4.267731
382.2934 3.854156
382.7755 4.476196
383.2576 6.468536
383.7397 8.712311
384.2218 9.498901
384.7039 9.048828
385.1861 8.529236
385.6682 8.432556
386.1503 8.641357
386.6324 8.902344
387.1145 9.208527
387.5966 9.725830
388.0788 10.90598
388.5609 12.35242
389.0430 13.33759
389.5251 13.40225
390.0072 13.23486
390.4893 13.45047
390.9715 13.96948
391.4536 14.51428
391.9357 14.82190
392.4178 15.14978
392.8999 15.77039
393.3820 16.85959
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394.3463 18.43558
394.8284 18.75473
395.3105 18.95935
395.7926 18.71381
396.2747 18.72961
396.7569 19.27148
397.2390 20.35999
397.7211 21.83200
398.2032 23.99692
398.6853 26.35876
399.1674 28.52188
399.6496 30.49146
400.1317 32.21936
400.6138 33.45312
401.0959 34.40411
401.5780 35.81732
402.0602 37.96429
402.5423 40.24606
403.0244 42.37170
403.5065 44.20880
403.9886 46.39706
404.4707 49.06656
404.9529 51.96228
405.4350 54.73218
405.9171 57.33856
406.3992 59.96164
406.8813 62.64984
407.3634 65.39764
407.8456 68.36880
408.3277 71.61713
408.8098 74.88245
409.2919 77.57669
409.7740 79.79364
410.2561 83.38715
410.7383 89.04190
411.2204 95.36600
411.7025 100.0222
412.1846 103.2020
412.6667 106.5186
413.1488 110.8601
413.6310 115.8599
414.1131 120.8575
414.5952 125.9178
415.0773 130.9744
415.5594 136.0017
416.0415 140.8979
416.5237 145.6612
417.0058 150.1515
417.4879 154.6403
417.9700 159.4648
418.4521 164.4437
418.9342 169.1264
419.4164 173.2046
419.8985 177.0598
420.3806 180.8995
420.8627 184.8267
421.3448 188.3773
421.8269 191.4753
422.3091 194.1525
422.7912 196.4402
423.2733 197.8671
423.7554 199.3714
424.2375 201.5986
424.7196 204.5648
425.2018 206.3351
425.6839 206.3603
426.1660 205.3965
426.6481 203.9042
427.1302 202.6758
427.6123 199.7404
428.0945 194.6947
428.5766 188.0068
429.0587 180.5566
429.5408 171.9561
430.0229 163.4657
430.5050 155.6665
430.9872 148.6600
431.4693 141.0838
431.9514 132.5668
432.4335 124.1534
432.9156 117.0775
433.3977 111.4074
433.8799 105.5672
434.3620 98.95847
434.8441 92.28928
435.3262 87.28717
435.8083 83.89948
436.2904 81.09879
436.7726 78.59744
437.2547 76.18378
437.7368 73.17810
438.2189 69.42099
438.7010 65.81934
439.1831 63.53094
439.6652 62.00015
440.1473 60.12173
440.6295 56.75003
441.1116 53.50385
441.5937 51.99951
442.0758 51.92465
442.5579 51.72812
443.0400 50.12112
443.5222 48.37631
444.0043 47.61102
444.4864 48.64209
444.9685 49.06689
445.4506 47.37927
445.9327 44.82126
446.4149 43.21567
446.8970 43.39139
447.3791 43.92703
447.8612 44.69641
448.3433 45.75034
448.8254 46.42114
449.3076 46.35410
449.7897 46.19876
450.2718 46.38147
450.7539 47.35730
451.2360 47.72952
451.7181 47.12927
452.2003 46.06342
452.6824 45.70163
453.1645 46.31516
453.6466 46.96667
454.1287 47.30295
454.6108 47.26855
455.0930 47.12552
455.5751 46.88708
456.0572 46.49625
456.5393 45.95657
457.0214 45.19604
457.5035 43.95551
457.9857 41.98810
458.4678 39.93933
458.9499 39.01321
459.4320 38.91248
459.9141 38.44370
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