#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:36:26 +0300 (Thu, 26 Apr 2018) $
#$Revision: 499 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000053.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_1000053
loop_
_publ_author_name
'Kolitsch, U.'
_publ_section_title
;
 The crystal structures of kidwellite and 'laubmannite', two complex
 fibrous iron phosphates Locality: Clara mine, Black Forest, Germany
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              147
_journal_page_last               165
_journal_paper_doi               10.1180/0026461046810177
_journal_volume                  68
_journal_year                    2004
_chemical_compound_source        R060324
_chemical_formula_sum            'As0.476 Cu0.356 Fe9 H19 Na O38 P5.524'
_chemical_name_mineral           Kidwellite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.07
_cell_angle_gamma                90
_cell_length_a                   20.117
_cell_length_b                   5.185
_cell_length_c                   13.978
_cell_volume                     1393.769
_exptl_crystal_density_diffrn    3.293
_cod_original_formula_sum        'Na Fe9 (P5.524 As.476) Cu.356 O38 H19'
_cod_database_code               9011825
_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            R060324.rod
_rod_data_source.block           3500000
_rod_database.code               1000053
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 9011825 COD http://www.crystallography.net/cod/9011825.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
119.9781 0.0000000E+00
120.4602 0.1575930
120.9423 0.2042240
121.4244 1.669250
121.9066 3.647095
122.3887 6.055542
122.8708 8.108032
123.3529 9.281433
123.8350 10.45459
124.3171 12.12872
124.7993 14.36920
125.2814 16.82019
125.7635 19.10632
126.2456 21.10944
126.7277 23.27179
127.2098 25.54749
127.6920 28.19653
128.1741 31.39136
128.6562 35.13745
129.1383 39.73822
129.6204 46.46637
130.1025 54.94873
130.5847 62.08447
131.0668 66.15826
131.5489 67.83191
132.0310 69.26617
132.5131 70.63416
132.9952 72.34387
133.4774 75.07568
133.9595 78.77246
134.4416 82.60962
134.9237 86.02142
135.4058 89.15149
135.8879 92.38464
136.3701 97.14661
136.8522 101.7066
137.3343 105.0234
137.8164 107.8516
138.2985 109.7672
138.7806 109.3411
139.2628 107.6915
139.7449 104.7588
140.2270 100.0184
140.7091 94.71973
141.1912 90.05707
141.6733 86.62531
142.1555 83.92731
142.6376 80.05188
143.1197 73.80286
143.6018 67.59973
144.0839 61.51978
144.5660 55.65564
145.0482 50.07941
145.5303 44.82086
146.0124 39.91016
146.4945 35.46570
146.9766 31.86322
147.4587 28.25946
147.9409 24.29193
148.4230 20.00562
148.9051 15.59229
149.3872 10.89581
149.8693 6.231506
150.3514 2.703979
150.8336 1.348267
151.3157 0.5825810
151.7978 1.395508
152.2799 4.889282
152.7620 7.821289
153.2441 8.084351
153.7263 6.728516
154.2084 5.368958
154.6905 4.695374
155.1726 4.373413
155.6547 3.793884
156.1368 3.266052
156.6190 1.915771
157.1011 1.010925
157.5832 5.007874
158.0653 9.144836
158.5474 12.96381
159.0295 16.28021
159.5117 19.29797
159.9938 22.03021
160.4759 24.55286
160.9580 26.65924
161.4401 28.52094
161.9222 30.59521
162.4044 33.54895
162.8865 37.76044
163.3686 40.93457
163.8507 42.40057
164.3328 43.46832
164.8149 44.52441
165.2971 45.70020
165.7792 47.06824
166.2613 48.82800
166.7434 51.34253
167.2255 53.13995
167.7076 54.14655
168.1898 54.63770
168.6719 54.70264
169.1540 54.39221
169.6361 53.87054
170.1182 53.41150
170.6003 53.28680
171.0825 52.42236
171.5646 49.65833
172.0467 46.56268
172.5288 45.28101
173.0109 46.60419
173.4930 48.73743
173.9752 48.57379
174.4573 46.01508
174.9394 43.20331
175.4215 40.33392
175.9036 37.64771
176.3857 35.85663
176.8679 35.50348
177.3500 35.56213
177.8321 35.19714
178.3142 33.80829
178.7963 32.19788
179.2784 30.78760
179.7606 29.53448
180.2427 28.26300
180.7248 26.97778
181.2069 25.59937
181.6890 24.02753
182.1711 22.23547
182.6533 20.47192
183.1354 19.00311
183.6175 17.86932
184.0996 16.72198
184.5817 15.16309
185.0638 13.77472
185.5460 13.11346
186.0281 13.26855
186.5102 13.56787
186.9923 12.96173
187.4744 10.95453
187.9565 9.361755
188.4387 8.636536
188.9208 8.201843
189.4029 7.689514
189.8850 6.974731
190.3671 6.155182
190.8492 5.360901
191.3314 4.398285
191.8135 3.842316
192.2956 4.052399
192.7777 4.466156
193.2598 4.582092
193.7419 4.205383
194.2241 3.494629
194.7062 2.857269
195.1883 2.568359
195.6704 2.036835
196.1525 0.7292180
196.6346 0.6434940
197.1168 1.113953
197.5989 0.2310490
198.0810 1.466156
198.5631 2.409058
199.0452 2.093262
199.5273 1.755859
200.0095 1.662628
200.4916 1.660583
200.9737 1.393066
201.4558 0.5985110
201.9379 0.3537290
202.4200 0.3519900
202.9022 0.8671570
203.3843 2.307037
203.8664 3.835388
204.3485 5.336304
204.8306 6.467651
205.3127 7.031982
205.7949 7.168762
206.2770 7.145386
206.7591 6.729767
207.2412 6.608398
207.7233 7.410095
208.2054 8.961090
208.6876 10.26221
209.1697 10.77972
209.6518 10.85181
210.1339 11.06436
210.6160 11.59509
211.0981 12.11810
211.5803 12.22363
212.0624 11.90823
212.5445 11.84491
213.0266 12.34946
213.5087 13.17804
213.9908 14.06155
214.4730 14.98737
214.9551 16.23676
215.4372 18.04254
215.9193 20.47217
216.4014 22.73764
216.8836 24.36707
217.3657 25.87335
217.8478 27.41919
218.3299 29.02585
218.8120 31.09048
219.2941 34.54797
219.7763 40.22900
220.2584 44.50323
220.7405 45.43027
221.2226 45.60556
221.7047 46.61386
222.1868 48.91296
222.6690 52.22214
223.1511 56.42792
223.6332 62.68436
224.1153 67.12939
224.5974 68.26935
225.0795 68.49463
225.5617 69.45380
226.0438 71.62607
226.5259 74.44690
227.0080 77.00977
227.4901 79.46933
227.9722 81.29001
228.4544 82.41974
228.9365 83.04645
229.4186 83.22736
229.9007 83.00806
230.3828 82.50134
230.8649 81.90585
231.3471 81.25781
231.8292 80.42322
232.3113 79.51459
232.7934 78.37796
233.2755 76.85339
233.7576 74.91156
234.2398 72.64368
234.7219 70.22717
235.2040 67.54956
235.6861 64.88116
236.1682 62.55750
236.6503 60.06369
237.1325 56.80356
237.6146 52.66141
238.0967 48.17023
238.5788 44.12125
239.0609 40.74725
239.5430 37.35904
240.0252 33.51529
240.5073 29.87476
240.9894 27.47913
241.4715 26.55511
241.9536 25.75763
242.4357 22.95853
242.9179 17.38568
243.4000 13.38947
243.8821 12.69217
244.3642 13.17999
244.8463 12.40472
245.3284 9.822021
245.8106 6.876709
246.2927 5.213348
246.7748 4.847198
247.2569 4.991394
247.7390 5.638184
248.2211 6.692291
248.7033 8.036346
249.1854 9.650635
249.6675 11.58780
250.1496 13.89059
250.6317 16.56921
251.1138 19.79480
251.5960 23.95444
252.0781 28.53479
252.5602 32.84073
253.0423 36.71548
253.5244 40.73892
254.0065 45.27682
254.4887 50.28113
254.9708 55.86255
255.4529 62.26169
255.9350 69.20853
256.4171 76.21875
256.8992 83.20312
257.3813 90.52829
257.8635 98.59494
258.3456 107.1924
258.8277 116.1872
259.3098 125.8018
259.7919 135.5450
260.2740 144.5785
260.7562 152.7216
261.2383 160.9734
261.7204 169.7846
262.2025 179.1016
262.6846 189.1442
263.1667 200.3488
263.6489 211.8746
264.1310 222.5872
264.6131 232.3258
265.0952 241.9767
265.5773 251.7422
266.0594 261.6069
266.5416 271.6671
267.0237 282.0149
267.5058 292.5218
267.9879 303.1229
268.4700 313.7485
268.9521 324.5236
269.4343 336.3615
269.9164 347.8623
270.3985 357.7134
270.8806 365.5620
271.3627 372.5347
271.8448 380.1698
272.3270 388.7583
272.8091 396.4390
273.2912 402.2174
273.7733 407.1718
274.2554 412.0561
274.7375 416.9680
275.2197 421.1100
275.7018 423.4343
276.1839 423.7847
276.6660 423.8808
277.1481 424.6100
277.6302 424.5491
278.1124 422.7579
278.5945 419.2055
279.0766 414.6578
279.5587 409.9174
280.0408 405.0672
280.5229 399.2213
281.0051 391.8197
281.4872 383.7919
281.9693 375.3993
282.4514 366.7111
282.9335 357.7112
283.4156 348.4408
283.8978 338.9010
284.3799 329.0126
284.8620 318.4608
285.3441 307.8410
285.8262 297.1756
286.3083 286.5985
286.7905 276.3751
287.2726 266.8910
287.7547 257.9927
288.2368 248.3562
288.7189 237.1407
289.2010 226.1324
289.6832 215.8237
290.1653 206.0775
290.6474 196.5767
291.1295 187.1949
291.6116 177.9726
292.0938 169.1421
292.5759 160.9012
293.0580 152.8727
293.5401 144.4363
294.0222 136.3401
294.5043 129.6490
294.9865 124.8669
295.4686 121.2462
295.9507 116.8895
296.4328 110.8772
296.9149 105.8270
297.3970 102.5750
297.8792 99.97925
298.3613 97.07898
298.8434 93.57184
299.3255 89.83685
299.8076 86.62573
300.2897 84.58832
300.7719 81.53207
301.2540 76.26068
301.7361 70.88864
302.2182 66.57623
302.7003 63.59387
303.1824 61.59229
303.6646 60.26151
304.1467 59.81668
304.6288 59.29190
305.1109 59.07907
305.5930 58.45206
306.0751 57.00287
306.5573 54.78702
307.0394 52.08435
307.5215 48.99826
308.0036 45.42548
308.4857 42.75601
308.9678 41.84943
309.4500 41.03522
309.9321 40.03076
310.4142 38.74219
310.8963 37.06964
311.3784 34.88657
311.8605 32.27646
312.3427 29.93903
312.8248 27.89474
313.3069 26.12006
313.7890 25.01215
314.2711 24.04495
314.7532 22.40985
315.2354 19.68265
315.7175 16.37042
316.1996 14.01666
316.6817 13.42877
317.1638 12.54645
317.6459 10.87692
318.1281 8.988434
318.6102 7.405884
319.0923 6.290955
319.5744 5.429443
320.0565 4.504272
320.5386 3.591156
321.0208 2.418030
321.5029 0.4645690
321.9850 1.334137
322.4671 2.248657
322.9492 2.293579
323.4313 2.135559
323.9135 2.484192
324.3956 3.400269
324.8777 4.546967
325.3598 6.622437
325.8419 8.291534
326.3240 8.764465
326.8062 8.344757
327.2883 7.931122
327.7704 8.217377
328.2525 9.166901
328.7346 10.15134
329.2167 11.52295
329.6989 12.50101
330.1810 12.93930
330.6631 12.86551
331.1452 12.30283
331.6273 11.24365
332.1094 9.766113
332.5916 7.996399
333.0737 5.186401
333.5558 3.437988
334.0379 4.063934
334.5200 5.246857
335.0021 5.130859
335.4843 3.142578
335.9664 0.4118960
336.4485 1.211884
336.9306 1.353973
337.4127 1.500244
337.8948 1.426392
338.3770 1.668976
338.8591 2.733978
339.3412 4.566071
339.8233 6.538391
340.3055 8.150452
340.7876 9.418182
341.2697 10.07019
341.7518 9.106903
342.2339 8.499390
342.7160 9.312958
343.1982 11.11429
343.6803 12.77594
344.1624 13.44766
344.6445 13.38184
345.1266 13.84680
345.6087 15.01648
346.0909 16.48495
346.5730 18.46249
347.0551 20.49734
347.5372 21.85040
348.0193 22.08356
348.5014 22.03745
348.9836 23.43289
349.4657 26.78180
349.9478 29.83411
350.4299 31.68625
350.9120 33.22028
351.3941 35.06796
351.8763 37.34189
352.3584 39.69339
352.8405 41.66159
353.3226 43.23486
353.8047 45.10641
354.2868 47.42331
354.7690 50.03256
355.2511 52.79816
355.7332 55.74344
356.2153 58.93338
356.6974 62.59741
357.1795 66.57361
357.6617 70.13049
358.1438 72.89761
358.6259 75.97025
359.1080 80.44864
359.5901 85.51709
360.0722 89.81485
360.5544 92.43958
361.0365 94.56033
361.5186 97.94678
362.0007 102.7234
362.4828 107.6669
362.9649 112.0996
363.4471 116.5930
363.9292 121.9359
364.4113 128.3900
364.8934 134.9142
365.3755 140.7276
365.8576 145.9193
366.3398 150.9260
366.8219 155.7386
367.3040 160.5998
367.7861 165.7992
368.2682 171.3055
368.7503 176.8677
369.2325 182.6165
369.7146 188.3229
370.1967 193.5867
370.6788 198.3802
371.1609 202.8027
371.6430 206.9598
372.1252 210.7831
372.6073 213.9626
373.0894 215.9459
373.5715 217.6653
374.0536 220.1210
374.5357 223.0989
375.0179 225.3163
375.5000 225.9850
375.9821 225.6079
376.4642 225.5496
376.9463 226.3820
377.4284 226.2393
377.9106 224.0544
378.3927 220.5206
378.8748 216.7904
379.3569 213.1223
379.8390 209.2448
380.3211 204.8730
380.8033 200.0406
381.2854 194.7595
381.7675 189.0941
382.2496 182.8869
382.7317 175.7201
383.2138 167.6620
383.6960 159.5699
384.1781 152.0720
384.6602 145.2216
385.1423 138.5745
385.6244 132.3377
386.1065 125.9001
386.5887 118.7171
387.0708 111.2705
387.5529 104.3318
388.0350 98.24612
388.5171 93.02271
388.9992 88.66248
389.4814 86.34528
389.9635 83.18329
390.4456 78.46103
390.9277 73.47046
391.4098 68.81152
391.8919 64.63934
392.3741 61.27881
392.8562 59.34100
393.3383 59.21060
393.8204 58.41577
394.3025 56.17923
394.7846 53.92282
395.2668 51.94791
395.7489 50.33887
396.2310 49.14008
396.7131 48.37616
397.1952 48.04254
397.6773 48.18958
398.1595 49.46454
398.6416 50.12204
399.1237 49.24011
399.6058 48.14639
400.0879 47.97586
400.5700 48.98395
401.0522 50.62366
401.5343 52.35294
402.0164 54.20813
402.4985 55.88742
402.9806 57.12439
403.4627 58.42035
403.9449 59.90649
404.4270 61.61920
404.9091 63.60013
405.3912 65.86957
405.8733 68.43094
406.3554 71.31403
406.8376 74.64780
407.3197 78.03046
407.8018 81.49927
408.2839 84.84314
408.7660 87.67615
409.2481 89.82980
409.7303 92.02084
410.2124 95.14536
410.6945 99.12878
411.1766 102.8653
411.6587 106.1116
412.1408 109.0628
412.6230 111.7070
413.1051 114.1265
413.5872 116.9864
414.0693 121.2001
414.5514 125.7956
415.0335 129.2305
415.5157 131.3912
415.9978 132.6738
416.4799 132.9082
416.9620 132.4873
417.4441 132.7037
417.9262 134.2908
418.4084 135.6037
418.8905 135.6282
419.3726 134.6554
419.8547 133.4435
420.3368 132.2689
420.8189 130.8872
421.3011 128.8306
421.7832 125.9411
422.2653 123.1215
422.7474 120.9032
423.2295 118.5046
423.7116 114.9655
424.1938 110.3866
424.6759 105.9345
425.1580 102.6263
425.6401 100.3471
426.1222 96.77728
426.6043 90.84659
427.0865 85.08176
427.5686 79.85696
428.0507 75.22607
428.5328 71.38223
429.0149 68.36713
429.4970 65.66788
429.9792 62.35477
430.4613 58.14468
430.9434 53.84683
431.4255 48.71765
431.9076 44.13782
432.3897 41.21933
432.8719 39.62289
433.3540 38.07520
433.8361 35.57660
434.3182 32.27670
434.8003 29.12543
435.2824 25.71591
435.7646 23.18723
436.2467 22.37469
436.7288 22.21078
437.2109 21.53833
437.6930 19.98969
438.1751 18.19748
438.6573 16.79044
439.1394 15.74954
439.6215 15.46222
440.1036 16.55469
440.5857 17.79498
441.0678 18.14191
441.5500 17.88052
442.0321 18.11801
442.5142 19.60184
442.9963 21.85864
443.4784 24.13101
443.9605 26.44028
444.4427 28.59250
444.9248 30.36981
445.4069 31.98163
445.8890 33.79620
446.3711 35.89963
446.8532 38.01797
447.3354 39.75613
447.8175 41.42435
448.2996 43.75241
448.7817 46.93698
449.2638 50.54681
449.7459 54.16394
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