#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:23:29 +0300 (Thu, 24 May 2018) $
#$Revision: 703 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000213.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_1000213
loop_
_publ_author_name
'Moore, P. B.'
'Araki, T.'
_publ_section_title
;
 Jahnsite, CaMnMg2(H2O)8Fe2(OH)2[PO4]4: A novel stereoisomerism of ligands
 about octahedral corner-chains Locality: Tip Top mine, Custer Country,
 South Dakota, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              964
_journal_page_last               973
_journal_volume                  59
_journal_year                    1974
_chemical_compound_source        R060213
_chemical_formula_sum            'Ca Fe2 H18 Mg2 Mn O26 P4'
_chemical_name_mineral           Jahnsite-(CaMnMg)
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.16
_cell_angle_gamma                90
_cell_length_a                   14.94
_cell_length_b                   7.14
_cell_length_c                   9.93
_cell_volume                     994.353
_exptl_crystal_density_diffrn    2.717
_cod_original_formula_sum        'Ca Mn Mg2 Fe2 P4 O26 H18'
_cod_database_code               9000404
_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            R060213.rod
_rod_data_source.block           3500000
_rod_database.code               1000213
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 9000404 COD http://www.crystallography.net/cod/9000404.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
153.3069 0.0000000E+00
153.7890 4.698425
154.2712 9.297180
154.7533 10.27435
155.2354 11.20465
155.7175 11.79462
156.1996 11.85773
156.6817 11.62854
157.1639 10.61591
157.6460 9.224060
158.1281 8.481873
158.6102 8.502991
159.0923 9.106384
159.5744 10.25110
160.0566 12.49866
160.5387 14.25812
161.0208 14.56024
161.5029 14.18671
161.9850 15.00104
162.4671 18.82251
162.9493 23.24310
163.4314 26.62860
163.9135 27.27716
164.3956 27.98975
164.8777 29.85754
165.3598 32.79749
165.8420 36.42859
166.3241 41.75598
166.8062 47.16119
167.2883 51.14783
167.7704 52.11414
168.2525 52.95984
168.7346 55.41779
169.2168 60.28333
169.6989 66.91913
170.1810 76.34442
170.6631 87.22485
171.1452 96.66260
171.6273 99.85846
172.1095 99.41962
172.5916 99.20026
173.0737 101.0231
173.5558 102.3301
174.0379 103.0547
174.5201 103.7953
175.0022 102.4650
175.4843 97.15430
175.9664 90.01416
176.4485 83.42731
176.9306 77.32611
177.4128 71.61182
177.8949 66.09534
178.3770 60.90887
178.8591 56.24377
179.3412 52.50616
179.8233 49.22009
180.3055 45.98615
180.7876 42.84521
181.2697 38.79846
181.7518 31.61804
182.2339 22.43451
182.7160 14.66443
183.1982 10.65375
183.6803 9.002258
184.1624 6.612122
184.6445 3.375244
185.1266 0.1505130
185.6087 1.860291
186.0909 2.890747
186.5730 4.103149
187.0551 6.218445
187.5372 8.938477
188.0193 11.55261
188.5014 14.19604
188.9836 16.12274
189.4657 16.06036
189.9478 14.17432
190.4299 12.17810
190.9120 10.56342
191.3941 9.427490
191.8763 9.729919
192.3584 11.99719
192.8405 14.20819
193.3226 12.89557
193.8047 8.044861
194.2868 3.472534
194.7690 1.234558
195.2511 1.130188
195.7332 0.1609500
196.2153 1.974976
196.6974 4.474243
197.1795 5.547058
197.6617 5.040100
198.1438 5.248840
198.6259 7.242004
199.1080 10.99756
199.5901 15.94080
200.0722 22.51294
200.5544 29.50824
201.0365 34.35712
201.5186 36.75928
202.0007 39.12183
202.4828 43.05670
202.9649 48.81927
203.4471 52.36163
203.9292 52.94531
204.4113 52.12878
204.8934 53.26953
205.3755 56.90900
205.8576 60.22290
206.3398 61.57831
206.8219 60.55426
207.3040 60.50677
207.7861 61.83282
208.2682 63.81714
208.7503 64.88898
209.2325 64.78082
209.7146 64.60858
210.1967 65.20007
210.6788 67.06238
211.1609 67.33423
211.6430 65.29285
212.1252 61.85657
212.6073 59.18878
213.0894 57.64661
213.5715 55.97479
214.0536 53.37939
214.5357 49.28455
215.0179 46.47186
215.5000 45.33539
215.9821 45.20508
216.4642 44.59528
216.9463 43.36694
217.4284 41.95801
217.9105 40.49127
218.3927 38.90802
218.8748 37.54309
219.3569 36.57074
219.8390 35.71393
220.3211 34.29193
220.8032 32.04022
221.2854 29.69293
221.7675 27.27148
222.2496 24.24030
222.7317 22.93628
223.2138 23.84698
223.6959 26.23846
224.1781 28.74121
224.6602 31.88794
225.1423 34.16913
225.6244 34.64325
226.1065 32.25580
226.5886 31.34015
227.0708 32.78992
227.5529 35.24481
228.0350 35.63708
228.5171 32.24792
228.9992 29.67224
229.4813 30.14191
229.9635 35.49402
230.4456 38.12823
230.9277 37.01617
231.4098 33.71368
231.8919 30.97766
232.3740 28.48407
232.8562 27.14246
233.3383 27.47968
233.8204 30.12006
234.3025 32.43616
234.7846 34.41241
235.2667 36.08710
235.7489 37.48383
236.2310 38.57513
236.7131 39.43237
237.1952 39.89752
237.6773 39.55408
238.1594 40.46564
238.6416 43.43530
239.1237 47.18011
239.6058 49.47021
240.0879 49.05817
240.5700 49.25769
241.0521 51.26245
241.5343 55.63977
242.0164 59.23462
242.4985 61.12488
242.9806 62.72034
243.4627 66.47382
243.9448 74.36609
244.4270 81.12653
244.9091 84.77563
245.3912 84.40704
245.8733 85.62982
246.3554 89.26923
246.8375 93.86462
247.3197 97.46234
247.8018 99.24573
248.2839 101.8197
248.7660 105.9246
249.2481 111.7368
249.7302 117.6093
250.2124 123.8247
250.6945 129.7004
251.1766 134.6081
251.6587 138.0017
252.1408 142.0325
252.6229 147.3856
253.1051 154.2083
253.5872 159.5196
254.0693 162.6443
254.5514 165.0938
255.0335 168.4792
255.5156 173.2503
255.9978 177.9163
256.4799 182.3041
256.9620 186.4156
257.4441 189.7280
257.9262 191.8298
258.4083 193.6398
258.8904 196.2135
259.3726 200.5333
259.8547 203.0870
260.3368 202.5326
260.8189 199.2732
261.3010 198.2466
261.7831 200.5169
262.2653 203.3430
262.7474 204.4894
263.2295 203.3683
263.7116 202.3217
264.1937 201.7611
264.6758 201.5524
265.1580 200.6033
265.6401 198.2793
266.1222 196.4514
266.6043 196.9617
267.0864 201.0950
267.5685 202.7623
268.0507 200.4204
268.5328 195.4156
269.0149 193.0927
269.4970 194.4928
269.9791 196.0319
270.4612 195.1841
270.9434 191.1393
271.4255 188.8093
271.9076 189.1377
272.3897 190.8958
272.8718 190.6248
273.3539 187.6758
273.8361 184.7711
274.3182 183.6783
274.8003 184.7900
275.2824 184.4989
275.7645 182.3454
276.2466 179.1206
276.7288 176.2706
277.2109 173.8124
277.6930 171.6540
278.1751 169.6102
278.6572 167.6097
279.1393 166.9981
279.6215 168.0476
280.1036 169.9892
280.5857 172.0950
281.0678 174.5273
281.5499 175.6750
282.0320 174.2718
282.5142 170.5889
282.9963 168.4496
283.4784 168.0720
283.9605 168.5767
284.4426 168.9331
284.9247 169.1342
285.4069 169.5131
285.8890 170.2820
286.3711 171.3263
286.8532 171.8431
287.3353 171.6709
287.8174 171.8303
288.2996 173.7953
288.7817 177.3837
289.2638 180.4665
289.7459 182.3329
290.2280 183.3845
290.7101 184.6041
291.1923 185.9839
291.6744 187.7090
292.1565 190.5410
292.6386 194.0828
293.1207 196.1940
293.6028 195.9745
294.0850 194.5974
294.5671 194.0325
295.0492 194.2551
295.5313 195.0024
296.0134 196.2529
296.4955 197.8851
296.9777 199.7444
297.4598 202.0633
297.9419 203.9971
298.4240 203.8691
298.9061 202.0473
299.3882 200.3954
299.8704 200.4490
300.3525 201.4095
300.8346 201.6324
301.3167 200.8677
301.7988 199.8119
302.2809 199.3082
302.7631 199.1581
303.2452 198.6772
303.7273 196.8931
304.2094 194.8452
304.6915 194.4390
305.1736 195.9187
305.6558 197.0042
306.1379 195.7793
306.6200 192.7167
307.1021 188.7331
307.5842 182.8143
308.0663 176.9479
308.5485 172.9390
309.0306 170.7947
309.5127 169.5504
309.9948 169.4962
310.4769 169.6581
310.9590 168.7479
311.4412 164.8424
311.9233 161.1625
312.4054 160.7566
312.8875 162.9119
313.3696 164.0316
313.8517 161.4108
314.3339 157.2888
314.8160 153.4200
315.2981 149.7056
315.7802 147.2514
316.2623 147.3505
316.7444 149.2561
317.2266 150.9127
317.7087 151.3539
318.1908 151.4111
318.6729 151.5397
319.1550 151.7628
319.6371 152.3734
320.1193 153.5914
320.6014 155.2193
321.0835 156.9304
321.5656 158.2419
322.0477 159.8917
322.5298 162.3794
323.0120 165.9231
323.4941 168.6910
323.9762 168.7885
324.4583 168.6523
324.9404 170.8876
325.4225 179.0798
325.9047 186.3101
326.3868 190.5752
326.8689 191.8090
327.3510 192.8293
327.8331 193.3848
328.3152 194.0781
328.7974 195.3071
329.2795 197.0165
329.7616 199.0862
330.2437 202.1255
330.7258 205.9501
331.2079 208.6289
331.6901 209.5106
332.1722 209.6335
332.6543 209.4199
333.1364 208.4092
333.6185 208.1573
334.1006 208.9428
334.5828 210.3260
335.0649 211.5486
335.5470 212.8596
336.0291 213.5151
336.5112 213.3057
336.9933 212.2888
337.4755 210.4243
337.9576 207.2768
338.4397 203.6428
338.9218 200.6889
339.4039 198.6619
339.8860 196.8324
340.3681 195.4808
340.8503 194.4432
341.3324 191.3554
341.8145 185.7341
342.2966 179.2455
342.7787 172.7885
343.2608 166.3765
343.7430 161.3786
344.2251 158.4562
344.7072 156.8821
345.1893 154.9229
345.6714 152.5620
346.1535 149.7046
346.6357 145.8784
347.1178 141.3157
347.5999 137.5978
348.0820 135.0788
348.5641 132.9043
349.0462 129.5121
349.5284 125.0622
350.0105 120.6228
350.4926 116.6357
350.9747 113.0754
351.4568 110.1399
351.9389 107.9477
352.4211 105.4911
352.9032 101.1644
353.3853 95.78159
353.8674 91.32318
354.3495 89.22363
354.8316 88.04013
355.3138 86.10941
355.7959 83.49625
356.2780 80.87204
356.7601 78.97580
357.2422 77.21872
357.7243 74.71973
358.2065 70.75085
358.6886 66.81989
359.1707 64.21909
359.6528 62.55917
360.1349 60.66919
360.6170 57.84860
361.0992 54.66489
361.5813 51.33722
362.0634 47.71521
362.5455 44.73938
363.0276 42.92188
363.5097 41.96112
363.9919 41.40845
364.4740 42.39987
364.9561 42.62646
365.4382 40.77072
365.9203 36.55139
366.4024 32.94635
366.8846 31.35291
367.3667 30.13901
367.8488 27.98474
368.3309 23.68079
368.8130 19.62357
369.2951 15.71780
369.7773 12.11215
370.2594 9.878357
370.7415 10.61566
371.2236 11.22748
371.7057 10.18317
372.1878 5.947906
372.6700 3.015289
373.1521 1.885193
373.6342 1.868896
374.1163 1.721466
374.5984 1.501587
375.0805 1.062805
375.5627 0.3987120
376.0448 0.4797360
376.5269 1.969543
377.0090 4.319824
377.4911 6.900085
377.9732 9.157440
378.4554 11.08173
378.9375 12.66208
379.4196 14.01938
379.9017 15.00259
380.3838 14.77881
380.8659 13.14023
381.3481 11.83765
381.8302 12.58829
382.3123 15.04721
382.7944 16.63773
383.2765 16.99225
383.7586 16.68765
384.2408 16.54980
384.7229 16.53879
385.2050 16.47711
385.6871 16.57635
386.1692 16.47336
386.6513 15.06351
387.1335 12.24881
387.6156 9.850464
388.0977 10.24881
388.5798 12.16510
389.0619 13.23297
389.5440 12.08124
390.0262 10.30792
390.5083 9.447418
390.9904 9.293854
391.4725 8.875641
391.9546 7.489227
392.4367 5.671814
392.9189 3.798981
393.4010 1.803558
393.8831 0.1361690
394.3652 0.3300480
394.8473 0.4126590
395.3294 1.468140
395.8116 4.488647
396.2937 8.104584
396.7758 12.17804
397.2579 16.84598
397.7400 20.30789
398.2221 21.08490
398.7043 21.07907
399.1864 21.83142
399.6685 24.36288
400.1506 26.62976
400.6327 27.90292
401.1148 28.58652
401.5970 30.71307
402.0791 35.60086
402.5612 40.37546
403.0433 43.53574
403.5254 43.86496
404.0075 46.16782
404.4897 51.51312
404.9718 57.91446
405.4539 62.00876
405.9360 62.78897
406.4181 64.54822
406.9002 69.01025
407.3824 75.73642
407.8645 80.79868
408.3466 84.02493
408.8287 86.24728
409.3108 87.70844
409.7929 88.47473
410.2751 90.19815
410.7572 93.23611
411.2393 97.17661
411.7214 101.6375
412.2035 106.5197
412.6856 110.7557
413.1678 113.3472
413.6499 114.9175
414.1320 116.9643
414.6141 119.6395
415.0962 122.0640
415.5783 122.7831
416.0605 122.7491
416.5426 123.8025
417.0247 127.6228
417.5068 131.8846
417.9889 134.4674
418.4710 135.6563
418.9532 136.8127
419.4353 138.7351
419.9174 140.8774
420.3995 142.8011
420.8816 144.4366
421.3637 145.8532
421.8459 146.8454
422.3280 147.6716
422.8101 148.7397
423.2922 150.3141
423.7743 151.9706
424.2564 153.6245
424.7386 155.2744
425.2207 156.7567
425.7028 158.2477
426.1849 159.4342
426.6670 160.0690
427.1491 159.3352
427.6313 159.3329
428.1134 160.4361
428.5955 162.3151
429.0776 164.1045
429.5597 165.9996
430.0418 167.4242
430.5240 167.9962
431.0061 167.6211
431.4882 167.8639
431.9703 168.9021
432.4524 170.1538
432.9345 170.8972
433.4167 171.0843
433.8988 171.3475
434.3809 171.7711
434.8630 172.2823
435.3451 173.0745
435.8272 174.1375
436.3094 174.6230
436.7915 173.4722
437.2736 171.3855
437.7557 170.1540
438.2378 170.1095
438.7199 170.4591
439.2020 170.3441
439.6841 169.8146
440.1663 169.1288
440.6484 168.1324
441.1305 167.4452
441.6126 167.5879
442.0947 168.4935
442.5768 169.7883
443.0590 172.2431
443.5411 174.4285
444.0232 174.9070
444.5053 172.0877
444.9874 170.8384
445.4695 173.7106
445.9517 178.7202
446.4338 182.8973
446.9159 185.5576
447.3980 187.7382
447.8801 188.9506
448.3622 188.9682
448.8444 191.4920
449.3265 198.2609
449.8086 206.1385
450.2907 213.0601
450.7728 218.4892
451.2549 224.3383
451.7371 230.6802
452.2192 237.3491
452.7013 243.9526
453.1834 250.2686
453.6655 257.5199
454.1476 266.3605
454.6298 276.5567
455.1119 286.1985
455.5940 295.0527
456.0761 303.8885
456.5582 313.2235
457.0403 323.0784
457.5225 333.4926
458.0046 344.3859
458.4867 355.5706
458.9688 366.1153
459.4509 376.4062
459.9330 387.5833
460.4152 401.1172
460.8973 415.6520
461.3794 429.3657
461.8615 442.3280
462.3436 455.1729
462.8257 468.9086
463.3079 482.6914
463.7900 495.5614
464.2721 506.7235
464.7542 517.7681
465.2363 529.1365
465.7184 540.8807
466.2006 553.2492
466.6827 567.3570
467.1648 581.0219
467.6469 592.8710
468.1290 601.9930
468.6111 612.9236
469.0933 627.9191
469.5754 643.3896
470.0575 656.1436
470.5396 663.9980
471.0217 673.6323
471.5038 686.7932
471.9860 702.0963
472.4681 714.8819
472.9502 724.6552
473.4323 733.3651
473.9144 741.6718
474.3965 749.6476
474.8787 757.7587
475.3608 766.0814
475.8429 773.8995
476.3250 780.5579
476.8071 786.0426
477.2892 790.2943
477.7714 793.3734
478.2535 795.0207
478.7356 794.2735
479.2177 791.5237
479.6998 788.5093
480.1819 787.1044
480.6641 785.4424
481.1462 781.3919
481.6283 774.6817
482.1104 767.2806
482.5925 760.8378
483.0746 754.0950
483.5568 745.7111
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