#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:29 +0300 (Thu, 24 May 2018) $
#$Revision: 721 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000226.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_1000226
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 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            R060324.rod
_rod_data_source.block           3500000
_rod_database.code               1000226
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
160.8812 0.0000000E+00
161.3633 0.8223880
161.8455 2.107056
162.3276 2.322632
162.8097 10.68262
163.2918 23.54980
163.7739 39.33337
164.2560 56.83472
164.7382 67.10535
165.2203 80.83679
165.7024 97.69714
166.1845 115.4601
166.6666 134.0291
167.1487 152.6855
167.6309 170.7010
168.1130 188.7142
168.5951 207.7246
169.0772 230.0331
169.5593 252.7278
170.0414 273.3125
170.5236 291.1667
171.0057 307.4430
171.4878 323.7633
171.9699 339.6644
172.4520 353.2401
172.9341 362.7831
173.4163 369.8109
173.8984 375.9443
174.3805 381.2041
174.8626 386.1735
175.3447 392.3728
175.8268 399.2690
176.3090 404.4581
176.7911 404.6854
177.2732 402.3627
177.7553 401.7408
178.2374 405.7401
178.7195 409.7620
179.2017 407.1311
179.6838 398.3589
180.1659 388.4664
180.6480 380.4017
181.1301 374.0898
181.6122 369.4575
182.0944 367.7090
182.5765 366.9009
183.0586 363.3464
183.5407 356.9956
184.0228 349.6912
184.5049 343.4033
184.9871 337.6896
185.4692 331.1055
185.9513 321.9697
186.4334 312.0719
186.9155 305.9978
187.3976 304.0383
187.8798 302.8907
188.3619 298.9036
188.8440 292.4957
189.3261 286.6726
189.8082 282.7988
190.2903 280.1976
190.7725 276.3618
191.2546 271.0809
191.7367 265.4093
192.2188 260.5540
192.7009 256.4144
193.1830 252.0376
193.6652 246.7990
194.1473 240.8795
194.6294 235.6750
195.1115 231.1008
195.5936 227.4865
196.0757 225.7283
196.5579 225.8975
197.0400 225.8483
197.5221 224.8237
198.0042 222.8698
198.4863 220.0194
198.9684 215.9064
199.4506 211.7719
199.9327 209.6453
200.4148 209.6605
200.8969 210.2305
201.3790 211.2361
201.8611 214.1041
202.3433 218.7064
202.8254 225.3921
203.3075 232.3071
203.7896 237.2626
204.2717 239.7849
204.7538 242.4625
205.2360 244.3621
205.7181 244.5834
206.2002 244.2428
206.6823 244.9240
207.1644 245.8278
207.6465 245.4208
208.1287 243.5099
208.6108 241.0844
209.0929 238.6047
209.5750 236.1555
210.0571 233.3116
210.5392 230.0795
211.0214 226.5088
211.5035 222.5742
211.9856 218.2068
212.4677 213.9285
212.9498 210.0424
213.4319 206.7653
213.9140 203.2893
214.3962 199.7140
214.8783 195.8333
215.3604 191.0088
215.8425 184.4452
216.3246 178.5243
216.8067 174.6061
217.2889 173.7299
217.7710 171.2764
218.2531 166.9138
218.7352 159.8064
219.2173 151.7845
219.6994 142.0544
220.1816 133.0481
220.6637 125.8268
221.1458 121.0603
221.6279 115.9177
222.1100 109.6653
222.5921 103.2753
223.0743 99.40112
223.5564 99.54907
224.0385 99.69043
224.5206 97.82300
225.0027 92.79138
225.4848 88.82178
225.9670 85.97290
226.4491 84.28369
226.9312 84.00598
227.4133 86.02881
227.8954 88.02649
228.3775 88.68860
228.8597 86.77869
229.3418 86.53540
229.8239 88.69531
230.3060 92.28528
230.7881 94.65979
231.2702 95.48499
231.7524 95.49194
232.2345 94.89575
232.7166 93.20972
233.1987 92.03809
233.6808 92.20312
234.1629 92.69043
234.6451 90.52222
235.1272 84.27454
235.6093 77.61145
236.0914 72.42957
236.5735 70.52979
237.0556 65.94958
237.5378 57.22559
238.0199 46.32031
238.5020 38.37683
238.9841 35.18628
239.4662 32.20837
239.9483 27.45337
240.4305 20.28503
240.9126 12.88831
241.3947 4.800781
241.8768 3.407227
242.3589 10.25928
242.8410 15.26624
243.3232 19.73755
243.8053 24.34961
244.2874 30.01733
244.7695 33.64050
245.2516 34.77515
245.7337 34.09045
246.2159 32.95483
246.6980 30.95667
247.1801 29.13696
247.6622 28.30444
248.1443 29.92456
248.6264 28.25403
249.1086 22.48328
249.5907 13.81519
250.0728 4.731689
250.5549 4.383423
251.0370 14.56897
251.5191 26.43555
252.0013 40.40869
252.4834 54.17944
252.9655 67.10400
253.4476 80.04822
253.9297 94.78284
254.4118 112.1390
254.8940 129.3892
255.3761 145.1168
255.8582 158.3535
256.3403 174.3085
256.8224 193.8876
257.3046 215.5165
257.7867 236.3113
258.2688 256.4443
258.7509 275.7775
259.2330 293.9075
259.7151 310.6639
260.1973 328.2091
260.6794 346.6031
261.1615 365.2942
261.6436 383.1620
262.1257 400.4847
262.6078 417.0018
263.0900 432.2828
263.5721 446.3108
264.0542 460.0220
264.5363 473.6183
265.0184 487.0063
265.5005 500.4745
265.9827 513.9948
266.4648 527.0868
266.9469 539.3987
267.4290 550.8340
267.9111 563.0549
268.3932 576.4429
268.8754 589.4443
269.3575 599.9987
269.8396 607.5334
270.3217 615.3684
270.8038 624.6750
271.2859 635.3342
271.7681 644.0167
272.2502 649.8641
272.7323 655.1946
273.2144 662.8652
273.6965 673.7299
274.1786 682.4374
274.6608 687.7551
275.1429 689.9698
275.6250 691.4246
276.1071 691.9343
276.5892 691.6091
277.0714 690.9861
277.5535 690.3271
278.0356 687.5208
278.5177 681.6343
278.9998 673.4963
279.4819 667.1118
279.9641 663.1357
280.4462 657.9712
280.9283 647.6946
281.4104 632.2000
281.8925 618.5699
282.3746 608.6766
282.8568 600.7404
283.3389 589.5660
283.8210 574.8790
284.3031 558.9656
284.7852 543.2410
285.2673 527.7799
285.7495 511.6744
286.2316 494.6053
286.7137 477.0664
287.1958 460.0217
287.6779 443.4521
288.1600 427.2637
288.6422 411.8203
289.1243 396.7587
289.6064 380.6650
290.0885 363.0212
290.5706 344.7992
291.0527 327.2670
291.5349 310.4573
292.0170 294.5283
292.4991 280.4913
292.9812 267.5886
293.4633 253.2466
293.9454 236.9280
294.4276 220.5350
294.9097 206.6947
295.3918 195.1218
295.8739 184.6324
296.3560 174.6476
296.8381 165.3580
297.3203 157.6702
297.8024 151.6985
298.2845 146.5278
298.7666 141.5852
299.2487 136.7701
299.7308 131.2948
300.2130 124.5005
300.6951 117.1208
301.1772 110.0577
301.6593 103.3116
302.1414 96.96265
302.6235 91.80261
303.1057 87.42993
303.5878 82.88794
304.0699 77.34924
304.5520 71.93115
305.0341 67.93237
305.5162 65.21094
305.9984 62.80676
306.4805 60.61267
306.9626 58.73547
307.4447 57.13745
307.9268 55.60754
308.4089 54.49194
308.8911 54.19446
309.3732 54.23413
309.8553 53.69006
310.3374 52.14307
310.8195 49.67163
311.3016 45.99207
311.7838 39.98816
312.2659 35.06885
312.7480 34.72339
313.2301 37.36230
313.7122 39.00049
314.1943 37.17639
314.6765 34.11169
315.1586 31.36658
315.6407 29.31140
316.1228 27.12439
316.6049 23.87415
317.0870 20.31213
317.5692 17.72510
318.0513 18.09546
318.5334 18.23975
319.0155 16.20093
319.4976 11.40503
319.9797 7.189697
320.4619 5.291626
320.9440 4.272949
321.4261 2.552979
321.9082 1.180420
322.3903 4.815552
322.8724 7.597168
323.3546 9.478516
323.8367 11.48743
324.3188 14.56836
324.8009 17.41418
325.2830 18.99414
325.7651 17.53162
326.2473 16.59082
326.7294 16.84778
327.2115 18.14490
327.6936 19.32397
328.1757 20.93188
328.6578 21.92212
329.1400 21.76282
329.6221 19.70752
330.1042 17.52319
330.5863 15.00427
331.0684 12.36426
331.5505 10.35278
332.0327 10.18945
332.5148 9.236938
332.9969 6.142456
333.4790 0.3986820
333.9611 5.136597
334.4432 6.954468
334.9254 7.588867
335.4075 10.08948
335.8896 15.30664
336.3717 20.76782
336.8538 25.49988
337.3359 29.38757
337.8180 34.43579
338.3001 40.79053
338.7823 48.08411
339.2644 55.85986
339.7465 64.20715
340.2286 73.02075
340.7107 82.79407
341.1928 93.16992
341.6750 100.0845
342.1571 102.8339
342.6392 105.0981
343.1213 110.3534
343.6034 118.5898
344.0855 126.1625
344.5677 132.2452
345.0498 137.4465
345.5319 142.8171
346.0140 148.3344
346.4961 154.6061
346.9782 162.6218
347.4604 171.9762
347.9425 180.2377
348.4246 187.1963
348.9067 193.3220
349.3888 199.0891
349.8709 204.5793
350.3531 210.1715
350.8352 216.4941
351.3173 222.9506
351.7994 228.5259
352.2815 233.1592
352.7636 236.9445
353.2458 239.1522
353.7279 240.5763
354.2100 242.9749
354.6921 248.6118
355.1742 254.4138
355.6563 257.0544
356.1385 256.6752
356.6206 255.1158
357.1027 252.2550
357.5848 249.4135
358.0669 248.2694
358.5490 250.3370
359.0312 252.5798
359.5133 253.1897
359.9954 252.4241
360.4775 251.1260
360.9596 249.0243
361.4417 246.9604
361.9239 245.5061
362.4060 244.8406
362.8881 244.4933
363.3702 244.4750
363.8523 244.6268
364.3344 244.7145
364.8166 244.6350
365.2987 244.5173
365.7808 244.3317
366.2629 244.0437
366.7450 244.0754
367.2271 244.5757
367.7093 245.4167
368.1914 246.4865
368.6735 248.3053
369.1556 249.8110
369.6377 250.4088
370.1198 250.2942
370.6020 251.2866
371.0841 253.9224
371.5662 257.1934
372.0483 260.5742
372.5304 264.2037
373.0125 267.7180
373.4947 271.2935
373.9768 274.6415
374.4589 276.9825
374.9410 277.7859
375.4231 278.6676
375.9052 280.8529
376.3874 284.8680
376.8695 285.6951
377.3516 282.4760
377.8337 277.2557
378.3158 272.7633
378.7979 269.2668
379.2801 264.7167
379.7622 258.5645
380.2443 250.7936
380.7264 240.7963
381.2085 228.4713
381.6906 215.2388
382.1728 202.2450
382.6549 189.2986
383.1370 175.8177
383.6191 161.5214
384.1012 147.2153
384.5833 134.2225
385.0655 122.3073
385.5476 110.3062
386.0297 96.95630
386.5118 83.06714
386.9939 69.62988
387.4760 56.81348
387.9582 45.23767
388.4403 35.59534
388.9224 27.54895
389.4045 20.37708
389.8866 13.69141
390.3687 7.607178
390.8509 1.965576
391.3330 2.902222
391.8151 5.893311
392.2972 5.165161
392.7793 3.000366
393.2614 1.559082
393.7436 2.023315
394.2257 2.495117
394.7078 2.433960
395.1899 1.795044
395.6720 0.4511720
396.1541 1.632813
396.6363 4.453247
397.1184 7.859863
397.6005 11.51990
398.0826 16.81958
398.5647 24.73682
399.0468 34.14966
399.5290 43.69812
400.0111 53.58850
400.4932 63.28564
400.9753 72.27686
401.4574 80.61035
401.9395 90.39038
402.4217 102.0183
402.9038 114.7181
403.3859 128.0140
403.8680 141.9379
404.3501 156.4545
404.8322 171.6472
405.3144 187.3157
405.7965 202.4644
406.2786 217.0364
406.7607 231.5215
407.2428 245.6355
407.7249 259.3651
408.2071 275.7740
408.6892 295.5188
409.1713 316.2406
409.6534 334.9575
410.1355 351.6954
410.6176 368.5244
411.0998 386.3562
411.5819 404.6240
412.0640 422.1743
412.5461 438.8698
413.0282 454.8182
413.5103 470.1178
413.9925 484.5154
414.4746 497.5426
414.9567 508.9619
415.4388 519.5358
415.9209 530.9514
416.4030 542.2858
416.8852 551.5327
417.3673 556.8784
417.8494 560.1116
418.3315 562.7676
418.8136 564.9192
419.2957 565.7887
419.7779 564.6501
420.2600 562.1279
420.7421 558.8888
421.2242 555.6915
421.7063 551.2054
422.1884 544.7836
422.6706 536.6870
423.1527 527.5784
423.6348 517.7291
424.1169 506.9691
424.5990 495.0229
425.0811 481.5503
425.5633 467.8538
426.0454 454.0043
426.5275 440.0171
427.0096 425.6229
427.4917 410.2019
427.9738 395.4712
428.4560 381.7961
428.9381 369.0411
429.4202 357.3540
429.9023 347.8093
430.3844 337.6201
430.8665 324.1191
431.3487 306.3007
431.8308 291.5258
432.3129 281.1879
432.7950 273.1661
433.2771 263.0601
433.7592 250.8434
434.2414 239.3658
434.7235 230.3311
435.2056 223.1646
435.6877 215.3417
436.1698 206.7921
436.6519 198.7698
437.1341 192.9333
437.6162 188.7594
438.0983 184.6801
438.5804 180.1693
439.0625 175.7623
439.5446 171.8209
440.0268 168.4504
440.5089 166.0010
440.9910 164.8530
441.4731 164.6440
441.9552 164.8999
442.4373 165.4703
442.9195 167.1946
443.4016 171.5366
443.8837 176.9475
444.3658 181.5336
444.8479 182.2629
445.3300 184.5850
445.8122 190.7159
446.2943 200.3051
446.7764 210.2527
447.2585 220.4672
447.7406 230.6412
448.2227 240.6497
448.7049 250.2394
449.1870 259.8960
449.6691 268.6937
450.1512 278.0138
450.6333 290.0709
451.1154 306.2057
451.5976 322.3634
452.0797 337.5664
452.5618 351.8639
453.0439 364.9729
453.5260 376.3718
454.0081 387.5601
454.4903 399.5533
454.9724 412.2664
455.4545 425.7854
455.9366 440.2019
456.4187 455.0447
456.9008 468.7806
457.3830 481.8094
457.8651 495.8510
458.3472 513.3138
458.8293 532.0358
459.3114 548.5035
459.7935 562.5895
460.2757 575.2133
460.7578 585.7388
461.2399 595.6050
461.7220 607.0344
462.2041 622.1373
462.6862 636.1580
463.1684 645.0657
463.6505 650.5430
464.1326 656.3285
464.6147 665.7930
465.0968 674.7433
465.5789 681.3302
466.0611 685.4712
466.5432 686.5614
467.0253 682.5319
467.5074 676.2101
467.9895 670.0304
468.4716 665.8990
468.9538 659.6119
469.4359 650.6860
469.9180 639.4944
470.4001 627.2439
470.8822 614.5302
471.3643 600.0751
471.8465 582.9943
472.3286 563.0505
472.8107 543.4569
473.2928 524.2458
473.7749 506.0042
474.2570 490.2520
474.7392 476.8369
475.2213 462.6943
475.7034 446.8146
476.1855 430.5436
476.6676 416.2559
477.1497 403.7114
477.6319 392.1810
478.1140 381.4254
478.5961 371.1332
479.0782 360.5928
479.5603 349.7219
480.0424 339.9996
480.5246 332.7747
481.0067 327.3115
481.4888 322.5753
481.9709 318.1060
482.4530 314.4202
482.9352 311.8881
483.4173 310.3676
483.8994 309.4154
484.3815 309.4418
484.8636 309.5284
485.3457 309.0443
485.8279 307.5183
486.3100 306.9937
486.7921 308.9067
487.2742 311.2080
487.7563 312.0150
488.2384 310.1019
488.7206 308.8524
489.2027 309.1346
489.6848 310.2845
490.1669 309.9056
490.6490 307.7703
491.1311 304.9064
491.6133 301.7485
492.0954 298.2859
492.5775 294.7533
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1303.016 0.0000000E+00
