#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:11:12 +0300 (Thu, 26 Apr 2018) $
#$Revision: 454 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000025.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_1000025
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 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            R050279.rod
_rod_data_source.block           3500000
_rod_database.code               1000025
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
134.6170 0.0000000E+00
135.0991 5.9113000E-02
135.5812 6.9397002E-02
136.0633 1.055450
136.5455 1.941620
137.0276 1.855957
137.5097 0.9732970
137.9918 0.6224980
138.4739 1.183838
138.9560 2.124786
139.4382 2.968140
139.9203 3.716217
140.4024 4.231995
140.8845 4.091614
141.3666 3.633575
141.8487 3.501465
142.3309 4.306519
142.8130 5.693695
143.2951 6.373077
143.7772 5.622559
144.2593 5.172516
144.7414 6.243164
145.2236 8.305878
145.7057 10.05511
146.1878 10.21463
146.6699 8.634247
147.1520 7.955658
147.6341 9.091095
148.1163 10.42566
148.5984 11.46625
149.0805 12.17157
149.5626 12.73856
150.0447 13.38181
150.5268 14.15601
151.0090 14.85294
151.4911 15.60260
151.9732 16.23660
152.4553 16.58478
152.9374 16.62457
153.4195 16.52435
153.9017 16.52875
154.3838 16.68405
154.8659 16.84787
155.3480 16.93735
155.8301 17.06763
156.3122 17.44055
156.7944 18.14551
157.2765 18.90250
157.7586 19.12564
158.2407 18.70755
158.7228 18.34799
159.2049 18.32672
159.6871 18.50598
160.1692 18.54898
160.6513 18.28165
161.1334 17.92722
161.6155 17.80432
162.0976 17.92053
162.5798 18.17249
163.0619 18.58386
163.5440 19.13867
164.0261 19.55862
164.5082 19.66931
164.9903 19.66409
165.4725 19.68710
165.9546 19.72626
166.4367 19.88818
166.9188 20.41602
167.4009 21.63403
167.8830 22.95773
168.3652 24.01071
168.8473 24.86908
169.3294 25.71173
169.8115 26.56454
170.2936 27.28458
170.7757 27.90274
171.2579 28.97470
171.7400 29.66608
172.2221 29.63312
172.7042 29.47247
173.1863 29.21103
173.6684 28.98608
174.1506 28.85312
174.6327 28.68381
175.1148 28.55609
175.5969 28.21597
176.0790 27.43207
176.5611 26.49939
177.0433 25.80551
177.5254 25.59723
178.0075 25.72717
178.4896 25.42447
178.9717 24.56085
179.4538 23.49689
179.9360 22.09857
180.4181 20.55063
180.9002 19.26239
181.3823 18.50598
181.8644 18.14481
182.3465 17.59409
182.8287 16.73743
183.3108 15.82727
183.7929 14.93079
184.2750 14.06454
184.7571 13.31152
185.2392 12.83130
185.7214 12.49261
186.2035 11.86017
186.6856 10.57489
187.1677 9.333405
187.6498 8.921204
188.1319 9.381195
188.6141 9.627686
189.0962 8.819946
189.5783 7.485352
190.0604 6.313354
190.5425 5.449066
191.0246 4.806763
191.5068 4.245941
191.9889 3.732300
192.4710 3.471741
192.9531 3.709106
193.4352 4.125183
193.9173 4.391205
194.3995 4.408966
194.8816 4.167267
195.3637 3.553558
195.8458 2.220459
196.3279 1.177307
196.8100 0.8058170
197.2922 0.7953490
197.7743 0.8288880
198.2564 0.7644960
198.7385 0.5888670
199.2206 0.2389530
199.7027 0.4938960
200.1849 1.142365
200.6670 1.666992
201.1491 2.045563
201.6312 2.231628
202.1133 2.185974
202.5954 1.950226
203.0776 1.769104
203.5597 1.746765
204.0418 1.669434
204.5239 1.561188
205.0060 1.367554
205.4881 0.9320980
205.9703 0.1176760
206.4524 0.9743960
206.9345 1.410309
207.4166 0.5375060
207.8987 0.2011410
208.3808 0.2818300
208.8630 6.5521002E-02
209.3451 0.2829590
209.8272 1.7426001E-02
210.3093 0.7211910
210.7914 0.9573670
211.2735 0.4953000
211.7557 8.6760998E-02
212.2378 0.6951900
212.7199 1.264374
213.2020 1.594147
213.6841 1.496368
214.1662 1.078979
214.6484 0.8800350
215.1305 1.045319
215.6126 1.263397
216.0947 1.384674
216.5768 1.414948
217.0589 1.377563
217.5410 1.220581
218.0232 1.038879
218.5053 1.063904
218.9874 1.428101
219.4695 1.842560
219.9516 2.067047
220.4337 2.106201
220.9159 2.150574
221.3980 2.366913
221.8801 2.601379
222.3622 2.597137
222.8443 2.191711
223.3264 1.779816
223.8086 1.816986
224.2907 2.343994
224.7728 2.908508
225.2549 3.575073
225.7370 4.054535
226.2191 3.967926
226.7013 3.129639
227.1834 2.073364
227.6655 1.478333
228.1476 1.427948
228.6297 1.488892
229.1118 1.488190
229.5940 1.568573
230.0761 1.914215
230.5582 2.589355
231.0403 3.328613
231.5224 3.714386
232.0045 3.638550
232.4867 3.522980
232.9688 3.210968
233.4509 3.028564
233.9330 3.335632
234.4151 4.211853
234.8972 5.251404
235.3794 5.770508
235.8615 5.506653
236.3436 5.314636
236.8257 5.163879
237.3078 5.167938
237.7899 5.462067
238.2721 6.062225
238.7542 6.810455
239.2363 7.424774
239.7184 7.715332
240.2005 8.267578
240.6826 9.495148
241.1648 10.68216
241.6469 11.16464
242.1290 10.85837
242.6111 10.32434
243.0932 10.46512
243.5753 11.92850
244.0575 12.73245
244.5396 12.28323
245.0217 11.66348
245.5038 11.76636
245.9859 12.70422
246.4680 13.82741
246.9502 14.24078
247.4323 13.53880
247.9144 13.08902
248.3965 13.00458
248.8786 13.06648
249.3607 13.10889
249.8429 13.10912
250.3250 13.16672
250.8071 13.41757
251.2892 13.94107
251.7713 14.37259
252.2534 14.70857
252.7356 14.95747
253.2177 15.16917
253.6998 15.32802
254.1819 15.29796
254.6640 14.89865
255.1461 14.05278
255.6283 13.37888
256.1104 12.85455
256.5925 12.51561
257.0746 12.43561
257.5567 12.56839
258.0388 12.77925
258.5210 13.05832
259.0031 13.38257
259.4852 13.21738
259.9673 12.20618
260.4494 11.01157
260.9315 10.02295
261.4137 9.258316
261.8958 8.738174
262.3779 8.531265
262.8600 8.613098
263.3421 8.690216
263.8242 8.737076
264.3064 8.819763
264.7885 8.947266
265.2706 9.104874
265.7527 9.318115
266.2348 9.772232
266.7169 10.30322
267.1991 10.39697
267.6812 9.617569
268.1633 8.822998
268.6454 8.841339
269.1275 9.626984
269.6096 10.26314
270.0918 10.23792
270.5739 9.815475
271.0560 9.542313
271.5381 9.455414
272.0202 9.440979
272.5023 9.458023
272.9845 9.504333
273.4666 9.498947
273.9487 9.322174
274.4308 9.170395
274.9129 9.374634
275.3951 10.02621
275.8772 10.48900
276.3593 10.15019
276.8414 9.158463
277.3235 8.450562
277.8056 8.343704
278.2878 8.505341
278.7699 8.610718
279.2520 8.661118
279.7341 8.669052
280.2162 8.679779
280.6983 8.663635
281.1805 8.465591
281.6626 7.951569
282.1447 7.422867
282.6268 7.123947
283.1089 7.012665
283.5910 6.912155
284.0732 6.734329
284.5553 6.483841
285.0374 6.166534
285.5195 5.720108
286.0016 5.329987
286.4837 5.147186
286.9659 5.092636
287.4480 4.997467
287.9301 4.697937
288.4122 4.322205
288.8943 4.242142
289.3764 4.569473
289.8586 4.948532
290.3407 5.335098
290.8228 5.637283
291.3049 5.688080
291.7870 5.332077
292.2691 4.818176
292.7513 4.684219
293.2334 4.995987
293.7155 5.323105
294.1976 5.555389
294.6797 5.765091
295.1618 6.034760
295.6440 6.392197
296.1261 6.706757
296.6082 6.784302
297.0903 6.567017
297.5724 6.383316
298.0545 6.311325
298.5367 6.326508
299.0188 6.488647
299.5009 6.786209
299.9830 7.066238
300.4651 7.219788
300.9472 7.288925
301.4294 7.375809
301.9115 7.364899
302.3936 7.337982
302.8757 7.313721
303.3578 7.382370
303.8399 7.590897
304.3221 8.107452
304.8042 8.951111
305.2863 9.426422
305.7684 9.231003
306.2505 8.913193
306.7326 8.628769
307.2148 8.435562
307.6969 8.424118
308.1790 8.685562
308.6611 9.174210
309.1432 9.668991
309.6253 10.26738
310.1075 10.71939
310.5896 10.96387
311.0717 11.02345
311.5538 10.91833
312.0359 10.63678
312.5180 10.22449
313.0002 9.757690
313.4823 9.088333
313.9644 8.688919
314.4465 8.863602
314.9286 9.247284
315.4107 9.493423
315.8929 9.482712
316.3750 9.307892
316.8571 9.094666
317.3392 8.812790
317.8213 8.581573
318.3034 8.412125
318.7856 8.306519
319.2677 8.348846
319.7498 8.526703
320.2319 8.617081
320.7140 8.260910
321.1961 7.362793
321.6783 6.803223
322.1604 7.152115
322.6425 7.434692
323.1246 7.131668
323.6067 6.312439
324.0888 5.377014
324.5710 4.536392
325.0531 3.811249
325.5352 3.481781
326.0173 3.924225
326.4994 4.301208
326.9815 4.242950
327.4637 3.889343
327.9458 3.474503
328.4279 3.060944
328.9100 2.729889
329.3921 2.802872
329.8742 3.597870
330.3564 4.140305
330.8385 3.957687
331.3206 3.458405
331.8027 3.071564
332.2848 2.956940
332.7669 2.950287
333.2491 2.776138
333.7312 2.373398
334.2133 2.037201
334.6954 1.845367
335.1775 1.743439
335.6596 1.769760
336.1418 1.913300
336.6239 1.984970
337.1060 1.672165
337.5881 0.9540100
338.0702 0.6063540
338.5523 1.043762
339.0345 1.543915
339.5165 1.704025
339.9987 1.566391
340.4808 1.348572
340.9629 1.136475
341.4450 0.9505770
341.9271 0.9510500
342.4092 1.326370
342.8914 1.549850
343.3735 1.210800
343.8556 0.5993500
344.3377 0.1858220
344.8198 0.2273560
345.3019 0.4905240
345.7841 0.5412450
346.2662 0.3165590
346.7483 0.1277160
347.2304 0.1102450
347.7125 0.1853640
348.1946 0.3749080
348.6768 0.7314610
349.1589 0.9051360
349.6410 0.2798310
350.1231 1.129166
350.6052 1.886307
351.0873 1.160583
351.5695 0.1637270
352.0516 3.6009999E-03
352.5337 0.6379700
353.0158 1.229279
353.4979 1.198517
353.9800 0.7028200
354.4622 0.2285160
354.9443 0.2823180
355.4264 0.5524290
355.9085 0.1217500
356.3906 0.6979520
356.8727 1.178162
357.3549 0.7127230
357.8370 2.8214000E-02
358.3191 0.1142880
358.8012 1.283386
359.2833 2.084488
359.7654 1.417923
360.2476 8.6760998E-02
360.7297 0.6258700
361.2118 0.4146270
361.6939 5.3513002E-02
362.1760 0.3524020
362.6581 0.4926910
363.1403 0.5068210
363.6224 0.3384250
364.1045 0.1340180
364.5866 0.1134490
365.0687 0.2862850
365.5508 0.4150390
366.0330 0.3849030
366.5151 0.2523650
366.9972 9.9136002E-02
367.4793 7.0846997E-02
367.9614 0.2109070
368.4435 0.2315220
368.9257 0.1646580
369.4078 0.2095030
369.8899 0.4908750
370.3720 0.8232880
370.8541 0.9924470
371.3362 1.025970
371.8184 1.238953
372.3005 1.953293
372.7826 2.893906
373.2647 3.136993
373.7468 2.200745
374.2289 1.395416
374.7111 1.305939
375.1932 1.698761
375.6753 2.163269
376.1574 2.583908
376.6395 2.922684
377.1216 3.082184
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378.0859 3.002747
378.5680 3.250015
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379.5322 3.812485
380.0143 3.971313
380.4965 4.074203
380.9786 4.125229
381.4607 4.122238
381.9428 4.282486
382.4249 4.610870
382.9070 5.070328
383.3892 5.803726
383.8713 6.651230
384.3534 7.242767
384.8355 7.364304
385.3176 7.207245
385.7997 7.334946
386.2819 8.187454
386.7640 8.781387
387.2461 8.817429
387.7282 8.729767
388.2103 8.968597
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389.1746 10.36810
389.6567 10.85689
390.1388 10.98161
390.6209 11.22658
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391.5851 12.01178
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392.5494 13.50992
393.0315 14.28734
393.5136 14.85588
393.9957 15.31032
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394.9600 18.25673
395.4421 19.86699
395.9242 20.41348
396.4063 20.65593
396.8884 21.45943
397.3705 23.08163
397.8527 24.97430
398.3348 26.18750
398.8169 26.38303
399.2990 27.12166
399.7811 28.84409
400.2632 30.86014
400.7454 32.97438
401.2275 35.10677
401.7096 37.15814
402.1917 38.97728
402.6738 40.63322
403.1559 42.57164
403.6381 44.91194
404.1202 47.32384
404.6023 49.64099
405.0844 51.95612
405.5665 54.34442
406.0486 56.77538
406.5308 59.47205
407.0129 62.94861
407.4950 67.29065
407.9771 71.13554
408.4592 73.85483
408.9413 76.40735
409.4235 79.61392
409.9056 83.41650
410.3877 87.09436
410.8698 90.17957
411.3519 92.91924
411.8340 95.87308
412.3162 99.08434
412.7983 102.5230
413.2804 106.2704
413.7625 110.2324
414.2446 114.1341
414.7267 118.0043
415.2089 121.8142
415.6910 125.4427
416.1731 128.8758
416.6552 132.2115
417.1373 135.5066
417.6194 138.8855
418.1016 142.5752
418.5837 146.6798
419.0658 150.2322
419.5479 152.3725
420.0300 154.0889
420.5121 156.7550
420.9943 160.5573
421.4764 164.5051
421.9585 167.7820
422.4406 170.3237
422.9227 172.3032
423.4048 173.4529
423.8870 174.3764
424.3691 175.6898
424.8512 176.9406
425.3333 177.2332
425.8154 176.1514
426.2975 173.8671
426.7797 170.7075
427.2618 166.2158
427.7439 161.4706
428.2260 156.6952
428.7081 151.5388
429.1902 145.5212
429.6724 138.7237
430.1545 131.6858
430.6366 124.8690
431.1187 118.3035
431.6008 111.9772
432.0829 105.8313
432.5651 99.96506
433.0472 94.30981
433.5293 88.97870
434.0114 84.11949
434.4935 79.75430
434.9756 75.71928
435.4578 71.81485
435.9399 67.93332
436.4220 64.61630
436.9041 62.35794
437.3862 60.35196
437.8683 58.23314
438.3505 55.91650
438.8326 53.58940
439.3147 51.22668
439.7968 48.97185
440.2789 47.52194
440.7610 47.21802
441.2432 46.96394
441.7253 46.07330
442.2074 44.96970
442.6895 44.20457
443.1716 44.00433
443.6537 43.83630
444.1359 43.06206
444.6180 41.81879
445.1001 40.99852
445.5822 40.93967
446.0643 41.25058
446.5464 41.59155
447.0286 41.92766
447.5107 41.97179
447.9928 41.34166
448.4749 40.56725
448.9570 40.27226
449.4391 40.45769
449.9213 40.76738
450.4034 41.09135
450.8855 41.39217
451.3676 41.23277
451.8497 40.09351
452.3318 39.20476
452.8140 39.27122
453.2961 39.64154
453.7782 39.32974
454.2603 38.12379
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