#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:29:20 +0300 (Thu, 26 Apr 2018) $
#$Revision: 488 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000043.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_1000043
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 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            R060213.rod
_rod_data_source.block           3500000
_rod_database.code               1000043
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
91.82715 0.0000000E+00
92.30927 5.6244001E-02
92.79138 4.599945
93.27350 10.24835
93.75562 13.53571
94.23773 13.46368
94.71985 11.38116
95.20197 9.388275
95.68408 8.598755
96.16620 7.798370
96.64832 8.500671
97.13043 10.94815
97.61255 12.63885
98.09467 12.22870
98.57678 8.916046
99.05890 6.695526
99.54102 9.348175
100.0231 13.57095
100.5052 16.20804
100.9874 14.46567
101.4695 7.986237
101.9516 5.074463
102.4337 8.200317
102.9158 11.23227
103.3979 16.59201
103.8801 20.47812
104.3622 22.46683
104.8443 22.84811
105.3264 20.53915
105.8085 20.74112
106.2906 24.73898
106.7728 27.67307
107.2549 25.92111
107.7370 21.78729
108.2191 17.53842
108.7012 13.19843
109.1833 9.963928
109.6655 7.869934
110.1476 10.39230
110.6297 14.84607
111.1118 16.05408
111.5939 11.93964
112.0760 6.582214
112.5582 4.693878
113.0403 5.952087
113.5224 7.163116
114.0045 5.690063
114.4866 1.723389
114.9688 0.5611570
115.4509 1.553253
115.9330 4.285889
116.4151 5.301422
116.8972 4.272125
117.3793 2.431763
117.8615 1.540100
118.3436 2.393311
118.8257 2.197418
119.3078 0.3461910
119.7899 3.352020
120.2720 5.498260
120.7542 6.240936
121.2363 5.759094
121.7184 4.572479
122.2005 0.8560180
122.6826 1.534180
123.1647 1.538055
123.6468 0.1817020
124.1290 1.059692
124.6111 1.322357
125.0932 0.7680970
125.5753 0.7670900
126.0574 2.885406
126.5395 3.934357
127.0217 1.594299
127.5038 3.482056
127.9859 7.906006
128.4680 8.990936
128.9501 7.169647
129.4323 6.097748
129.9144 6.331604
130.3965 7.146301
130.8786 8.048065
131.3607 9.169342
131.8428 9.670471
132.3250 7.890778
132.8071 5.013000
133.2892 3.277832
133.7713 4.399261
134.2534 7.514343
134.7355 9.565674
135.2177 9.681274
135.6998 9.854004
136.1819 10.94815
136.6640 12.86591
137.1461 15.31168
137.6282 18.47699
138.1104 22.56311
138.5925 25.08072
139.0746 25.24515
139.5567 24.42218
140.0388 22.50497
140.5209 19.83847
141.0031 17.24066
141.4852 15.63409
141.9673 15.09912
142.4494 15.58551
142.9315 18.06973
143.4136 20.70816
143.8958 22.16449
144.3779 22.15329
144.8600 21.54004
145.3421 21.75891
145.8242 23.75394
146.3063 24.78424
146.7885 23.75562
147.2706 22.02505
147.7527 21.49463
148.2348 23.00278
148.7169 25.28671
149.1990 25.52164
149.6812 23.65662
150.1633 22.06042
150.6454 22.08670
151.1275 23.26810
151.6096 24.11633
152.0917 23.94794
152.5739 23.28763
153.0560 23.20999
153.5381 24.07233
154.0202 24.39249
154.5023 22.33249
154.9844 17.74887
155.4665 14.14407
155.9487 13.72763
156.4308 14.47064
156.9129 14.73734
157.3950 14.05164
157.8771 13.37704
158.3592 14.48004
158.8414 18.50970
159.3235 21.28055
159.8056 21.00861
160.2877 19.61966
160.7698 18.65271
161.2519 18.76190
161.7341 19.66888
162.2162 20.58368
162.6983 21.88098
163.1804 22.59644
163.6625 22.43976
164.1446 21.71472
164.6268 20.68076
165.1089 19.44714
165.5910 18.12189
166.0731 17.43240
166.5552 17.48105
167.0373 17.99658
167.5195 19.54303
168.0016 21.65036
168.4837 23.08960
168.9658 22.81744
169.4479 21.04355
169.9300 21.41513
170.4122 26.57285
170.8943 31.04547
171.3764 31.65854
171.8585 28.98123
172.3406 26.06702
172.8227 25.13705
173.3049 26.36295
173.7870 27.53445
174.2691 28.76535
174.7512 29.70691
175.2333 30.16003
175.7154 30.14429
176.1976 29.52289
176.6797 27.24594
177.1618 24.09296
177.6439 22.27408
178.1260 23.54721
178.6081 26.10797
179.0903 27.20416
179.5724 26.50992
180.0545 25.58591
180.5366 25.16183
181.0187 24.89127
181.5008 24.31815
181.9830 22.71948
182.4651 20.75613
182.9472 20.54102
183.4293 23.28650
183.9114 25.74179
184.3935 26.39099
184.8757 26.14441
185.3578 26.12683
185.8399 27.02045
186.3220 28.74893
186.8041 30.70306
187.2862 34.44730
187.7684 36.65018
188.2505 34.63687
188.7326 30.31699
189.2147 27.55542
189.6968 29.76291
190.1789 37.20694
190.6611 42.39377
191.1432 44.51123
191.6253 45.22650
192.1074 43.61121
192.5895 40.77029
193.0716 39.23013
193.5538 41.51376
194.0359 48.42041
194.5180 52.40466
195.0001 51.27197
195.4822 49.92923
195.9643 51.27948
196.4465 54.88977
196.9286 57.95401
197.4107 57.58807
197.8928 53.11282
198.3749 50.98846
198.8570 52.54953
199.3392 55.18219
199.8213 57.45865
200.3034 59.19824
200.7855 60.54211
201.2676 61.43863
201.7497 61.88138
202.2319 63.03061
202.7140 66.35352
203.1961 69.57932
203.6782 70.13989
204.1603 67.66626
204.6424 64.77621
205.1246 64.00427
205.6067 64.89108
206.0888 65.33920
206.5709 64.52771
207.0530 63.21426
207.5351 62.55475
208.0173 62.81970
208.4994 62.98929
208.9815 61.85602
209.4636 60.00006
209.9457 58.64703
210.4278 59.07492
210.9100 60.20892
211.3921 59.39920
211.8742 55.74493
212.3563 51.97885
212.8384 49.76117
213.3205 48.56625
213.8027 47.48419
214.2848 45.93445
214.7669 44.14789
215.2490 43.06345
215.7311 43.16953
216.2132 43.23712
216.6954 42.80984
217.1775 41.98911
217.6596 40.92029
218.1417 39.59085
218.6238 38.08762
219.1059 36.98938
219.5881 36.93671
220.0702 36.49155
220.5523 35.14404
221.0344 33.16116
221.5165 30.89139
221.9986 28.45703
222.4808 25.95511
222.9629 24.28653
223.4450 23.37158
223.9271 23.55786
224.4092 26.10138
224.8913 29.68793
225.3735 32.08780
225.8556 31.69266
226.3377 28.82394
226.8198 27.10809
227.3019 28.04474
227.7840 28.61035
228.2662 27.62485
228.7483 25.85263
229.2304 24.83316
229.7125 25.66043
230.1946 28.05862
230.6767 28.97415
231.1589 27.74280
231.6410 25.90622
232.1231 22.85980
232.6052 19.49686
233.0873 17.48611
233.5694 17.93399
234.0516 20.49768
234.5337 22.75986
235.0158 24.93445
235.4979 26.67520
235.9800 27.78265
236.4621 28.37759
236.9443 28.58841
237.4264 28.33603
237.9085 27.91257
238.3906 28.70102
238.8727 32.38708
239.3548 35.16690
239.8370 35.13153
240.3191 33.16025
240.8012 31.38120
241.2833 30.83646
241.7654 31.17984
242.2475 31.25784
242.7297 30.31888
243.2118 30.24231
243.6939 32.72925
244.1760 36.87897
244.6581 39.76993
245.1402 39.71606
245.6224 38.29861
246.1045 38.83868
246.5866 41.96609
247.0687 45.05423
247.5508 46.72266
248.0329 47.25204
248.5151 47.55722
248.9972 47.63705
249.4793 48.03687
249.9614 49.81741
250.4435 53.25610
250.9256 56.37167
251.4078 57.44843
251.8899 56.95685
252.3720 57.22055
252.8541 59.45422
253.3362 61.98270
253.8183 63.00220
254.3005 62.59158
254.7826 61.75833
255.2647 60.65393
255.7468 59.43066
256.2289 58.92252
256.7110 59.81598
257.1931 60.82367
257.6753 60.77182
258.1574 59.81158
258.6395 58.87448
259.1216 58.84244
259.6037 59.49219
260.0858 59.13107
260.5680 56.77698
261.0501 54.52213
261.5322 54.02374
262.0143 54.74826
262.4964 55.06619
262.9785 53.65317
263.4607 50.83594
263.9428 48.42441
264.4249 46.26437
264.9070 44.85483
265.3891 44.47839
265.8712 44.90067
266.3534 45.73703
266.8355 47.13644
267.3176 48.73425
267.7997 48.71912
268.2818 45.44095
268.7639 43.08304
269.2461 44.46161
269.7282 47.33163
270.2103 48.15625
270.6924 44.57736
271.1745 38.25720
271.6566 34.86664
272.1388 36.37054
272.6209 37.62900
273.1030 37.00098
273.5851 35.50439
274.0672 34.46069
274.5493 34.54028
275.0315 34.97592
275.5136 33.79474
275.9957 30.11923
276.4778 26.38165
276.9599 22.81558
277.4420 19.51025
277.9242 16.36832
278.4063 13.34940
278.8884 10.91309
279.3705 10.01974
279.8526 11.45633
280.3347 12.84528
280.8169 15.12851
281.2990 16.56046
281.7811 15.08371
282.2632 10.49374
282.7453 5.210754
283.2274 3.096832
283.7096 6.076141
284.1917 7.434601
284.6738 5.685059
285.1559 3.537354
285.6380 2.588287
286.1201 2.997437
286.6023 3.885590
287.0844 4.278717
287.5665 4.077545
288.0486 3.754120
288.5307 3.232452
289.0128 2.669434
289.4950 1.844604
289.9771 0.9660950
290.4592 0.6406860
290.9413 1.514526
291.4234 3.705200
291.9055 5.521973
292.3877 7.659393
292.8698 8.748169
293.3519 7.735016
293.8340 5.290741
294.3161 2.762512
294.7982 1.064407
295.2804 0.1622470
295.7625 0.2497710
296.2446 0.1827240
296.7267 0.7570650
297.2088 1.814682
297.6909 2.842285
298.1731 2.983200
298.6552 1.727432
299.1373 0.4734800
299.6194 1.900848
300.1015 2.240707
300.5836 2.038803
301.0658 0.8471220
301.5479 0.6557010
302.0300 1.784927
302.5121 2.270935
302.9942 2.282715
303.4763 2.075302
303.9585 0.7217410
304.4406 0.7231750
304.9227 4.126328
305.4048 7.509537
305.8869 7.820282
306.3690 4.497650
306.8512 0.5247190
307.3333 4.811691
307.8154 8.989868
308.2975 10.38379
308.7796 6.810242
309.2617 2.708084
309.7439 0.5130920
310.2260 0.4485470
310.7081 1.690018
311.1902 3.660950
311.6723 6.658340
312.1544 7.278076
312.6366 3.795563
313.1187 0.6270600
313.6008 0.6249080
314.0829 0.4300080
314.5650 0.2173160
315.0471 0.7764890
315.5293 1.326370
316.0114 1.076523
316.4935 1.265564
316.9756 3.140366
317.4577 3.750214
317.9398 3.570175
318.4220 3.275970
318.9041 3.229294
319.3862 3.603348
319.8683 4.780457
320.3504 7.859375
320.8326 10.02405
321.3147 10.48349
321.7968 10.44943
322.2789 11.14644
322.7610 12.87634
323.2431 14.90529
323.7253 15.98219
324.2074 14.90401
324.6895 15.60617
325.1716 19.41486
325.6537 23.38904
326.1358 25.68152
326.6180 26.22234
327.1001 26.01353
327.5822 26.00638
328.0643 26.26453
328.5464 26.44077
329.0285 26.06499
329.5107 25.80392
329.9928 25.97638
330.4749 26.62691
330.9570 27.80324
331.4391 29.56313
331.9212 31.70320
332.4034 33.02391
332.8855 33.18153
333.3676 32.93275
333.8497 31.85394
334.3318 30.49135
334.8139 29.57468
335.2961 29.48132
335.7782 30.17592
336.2603 31.66159
336.7424 35.44659
337.2245 37.73563
337.7066 37.67661
338.1888 36.42247
338.6709 34.63188
339.1530 32.61769
339.6351 30.90485
340.1172 30.44196
340.5993 32.12799
341.0815 32.76012
341.5636 32.01781
342.0457 30.65086
342.5278 28.59865
343.0099 26.17166
343.4920 24.15215
343.9742 23.26793
344.4563 23.55124
344.9384 24.35521
345.4205 27.49010
345.9026 29.33257
346.3847 27.93742
346.8669 24.64413
347.3490 21.88072
347.8311 21.17953
348.3132 22.00867
348.7953 22.28781
349.2774 21.76665
349.7596 21.02304
350.2417 19.41989
350.7238 18.02779
351.2059 18.48300
351.6880 21.28787
352.1701 24.37529
352.6523 23.79268
353.1344 17.69644
353.6165 13.60207
354.0986 13.54819
354.5807 14.68016
355.0628 15.98586
355.5450 17.09366
356.0271 17.50053
356.5092 16.39859
356.9913 13.71812
357.4734 11.62604
357.9555 10.25261
358.4377 9.483063
358.9198 9.819275
359.4019 10.67935
359.8840 10.89078
360.3661 9.573334
360.8482 7.294373
361.3304 5.716537
361.8125 4.941116
362.2946 4.705963
362.7767 4.961456
363.2588 5.635803
363.7409 6.924164
364.2231 9.025040
364.7052 10.89442
365.1873 10.80794
365.6694 8.498566
366.1515 6.484192
366.6336 5.957489
367.1158 5.782181
367.5979 5.164474
368.0800 3.980896
368.5621 2.271027
369.0442 0.8838200
369.5263 1.221501
370.0085 1.066674
370.4906 2.314072
370.9727 1.622604
371.4548 2.088348
371.9369 0.3338320
372.4190 0.8077700
372.9012 0.2417300
373.3833 2.158569
373.8654 2.933960
374.3475 2.477768
374.8296 2.036224
375.3117 2.623451
375.7939 3.398453
376.2760 2.968216
376.7581 2.896302
377.2402 1.460739
377.7223 1.897484
378.2044 1.017242
378.6866 0.7612760
379.1687 1.906342
379.6508 3.452240
380.1329 4.017494
380.6150 3.634796
381.0971 3.510437
381.5793 4.836342
382.0614 6.317589
382.5435 5.689583
383.0256 2.595779
383.5077 0.4497910
383.9898 1.401588
384.4720 0.4546970
384.9541 0.2333450
385.4362 1.175522
385.9183 1.322823
386.4004 1.002968
386.8825 4.887352
387.3647 7.018333
387.8468 5.465340
388.3289 1.802635
388.8110 0.1289830
389.2931 1.187531
389.7752 2.142349
390.2574 1.767448
390.7395 1.268753
391.2216 2.504723
391.7037 5.803825
392.1858 9.333992
392.6679 10.95970
393.1501 10.27758
393.6322 9.394836
394.1143 6.972260
394.5964 5.555168
395.0785 7.138702
395.5606 11.04906
396.0428 15.29731
396.5249 18.75217
397.0070 21.31269
397.4891 22.47805
397.9712 20.39879
398.4533 19.12711
398.9355 19.98621
399.4176 21.45754
399.8997 21.52997
400.3818 19.70006
400.8639 17.58908
401.3460 17.88135
401.8282 22.09299
402.3103 24.45995
402.7924 22.62688
403.2745 21.32533
403.7566 23.89375
404.2387 29.27530
404.7209 33.71753
405.2030 33.99567
405.6851 30.91685
406.1672 30.84633
406.6493 36.79704
407.1314 41.47449
407.6136 43.01576
408.0957 42.63470
408.5778 41.25160
409.0599 39.16959
409.5420 37.36311
410.0241 37.43875
410.5063 39.73933
410.9884 42.09142
411.4705 44.57288
411.9526 46.67815
412.4347 48.20428
412.9168 49.10578
413.3990 49.31268
413.8811 48.58733
414.3632 47.10779
414.8453 45.26286
415.3274 42.46381
415.8095 40.74765
416.2917 42.14278
416.7738 45.01239
417.2559 47.32423
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