#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:59:44 +0300 (Thu, 24 May 2018) $
#$Revision: 850 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000337.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_1000337
loop_
_publ_author_name
'Yakovenchuk, V. N.'
'Keck, E.'
'Krivovichev, S. V.'
'Pakhomovsky, Y. A.'
'Selivanova, E. A.'
'Mikhailova, J. A.'
'Chernyatieva, A. P.'
'Ivanyuk, G. Y.'
_publ_section_title
;
 Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the
 Hagendorf-Sud granitic pegmatite, Germany
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2761
_journal_page_last               2771
_journal_paper_doi               10.1180/minmag.2012.076.7.09
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Hagendorf-Sud granitic pegmatite, Germany'
_chemical_formula_sum
'Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07'
_chemical_name_mineral           Whiteite-(CaMnMn)
_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                 111.740
_cell_angle_gamma                90
_cell_length_a                   15.020
_cell_length_b                   6.959
_cell_length_c                   10.137
_cell_volume                     984.199
_exptl_crystal_density_diffrn    2.774
_cod_original_cell_volume        984.200
_cod_original_formula_sum
'(Ca.93 Zn.07) Mn2.96 Mg.04 (Al1.84 Fe.16) P4 O26 H18'
_cod_database_code               9015830
_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            R130055.rod
_rod_data_source.block           3500000
_rod_database.code               1000337
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 9015830 COD http://www.crystallography.net/cod/9015830.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
179.9996 0.0000000E+00
180.4817 0.2205510
180.9638 0.4737400
181.4459 0.4229430
181.9280 0.2620470
182.4102 0.4227070
182.8923 0.7575070
183.3744 0.9814990
183.8565 0.6152340
184.3386 6.2119000E-02
184.8207 0.1347890
185.3029 0.7146530
185.7850 1.846336
186.2671 2.122612
186.7492 1.575813
187.2313 0.9987030
187.7134 0.9199220
188.1956 1.275932
188.6777 1.791710
189.1598 2.493965
189.6419 3.258018
190.1240 3.875496
190.6061 4.358009
191.0883 4.607239
191.5704 4.341522
192.0525 3.643387
192.5346 3.362968
193.0167 3.711937
193.4988 4.470482
193.9810 5.016190
194.4631 5.304352
194.9452 5.452858
195.4273 5.117203
195.9094 4.313606
196.3915 3.717651
196.8737 3.483795
197.3558 3.530777
197.8379 3.601868
198.3200 3.700089
198.8021 3.811531
199.2842 3.848595
199.7664 3.791618
200.2485 4.047188
200.7306 4.882950
201.2127 6.109581
201.6948 6.612068
202.1769 6.278824
202.6591 5.619514
203.1412 5.076164
203.6233 4.650406
204.1054 4.271172
204.5875 3.821671
205.0696 3.359016
205.5518 3.581734
206.0339 4.732216
206.5160 6.007195
206.9981 6.468872
207.4802 5.899986
207.9623 5.543800
208.4445 5.803612
208.9266 6.638893
209.4087 6.991730
209.8908 6.697807
210.3729 6.233536
210.8550 6.178688
211.3372 6.701454
211.8193 7.028236
212.3014 6.899986
212.7835 6.317451
213.2656 5.944756
213.7477 5.848312
214.2299 5.863571
214.7120 5.780212
215.1941 5.528244
215.6762 5.372871
216.1583 5.413177
216.6404 5.662254
217.1226 5.812828
217.6047 5.829536
218.0868 5.789757
218.5689 5.778160
219.0510 5.781357
219.5331 5.846283
220.0153 5.993736
220.4974 6.230629
220.9795 6.500092
221.4616 6.869926
221.9437 7.210564
222.4258 7.355797
222.9080 7.249092
223.3901 7.065025
223.8722 6.812866
224.3543 6.463913
224.8364 6.288879
225.3185 6.359901
225.8007 6.534233
226.2828 6.622955
226.7649 6.547501
227.2470 6.537971
227.7291 6.689377
228.2112 7.043823
228.6934 7.241829
229.1755 7.262344
229.6576 7.145638
230.1397 6.926720
230.6218 6.528831
231.1039 6.165680
231.5861 5.892403
232.0682 5.710251
232.5503 5.600365
233.0324 5.612778
233.5145 5.659409
233.9966 5.623711
234.4788 5.458595
234.9609 5.296631
235.4430 5.146477
235.9251 4.987595
236.4072 4.990662
236.8893 5.202560
237.3715 5.535675
237.8536 5.863388
238.3357 6.391884
238.8178 6.701012
239.2999 6.625412
239.7820 6.099068
240.2642 5.673073
240.7463 5.332527
241.2284 5.100349
241.7105 5.018784
242.1926 5.159798
242.6747 5.316620
243.1569 5.464340
243.6390 5.615578
244.1211 5.642845
244.6032 5.556435
245.0853 5.339279
245.5674 4.906380
246.0496 3.930069
246.5317 3.362755
247.0138 3.597824
247.4959 4.760406
247.9780 5.265579
248.4601 4.812828
248.9423 4.012604
249.4244 3.546631
249.9065 3.610329
250.3886 3.623619
250.8707 3.436073
251.3528 3.037628
251.8350 2.704681
252.3171 2.377472
252.7992 2.182083
253.2813 2.281715
253.7634 2.819893
254.2455 3.342751
254.7277 3.806526
255.2098 4.214264
255.6919 4.349190
256.1740 4.144783
256.6561 3.749458
257.1382 3.258499
257.6204 2.537788
258.1025 2.040718
258.5846 1.905098
259.0667 2.129951
259.5488 2.342850
260.0309 2.501129
260.5131 2.639229
260.9952 2.769447
261.4773 2.926216
261.9594 2.978043
262.4415 2.877037
262.9236 2.667526
263.4058 2.586182
263.8879 2.575317
264.3700 2.655426
264.8521 2.877899
265.3342 3.288101
265.8163 3.701065
266.2985 4.156105
266.7806 4.596489
267.2627 4.626968
267.7448 4.110634
268.2269 3.555809
268.7090 3.315475
269.1912 3.419029
269.6733 3.635429
270.1554 3.999672
270.6375 4.447174
271.1196 4.692238
271.6017 4.658936
272.0839 4.593086
272.5660 4.674332
273.0481 4.958359
273.5302 5.093559
274.0123 4.965233
274.4944 4.696587
274.9766 4.599411
275.4587 4.681717
275.9408 4.904861
276.4229 5.337967
276.9050 6.028999
277.3871 6.424202
277.8693 6.410454
278.3514 6.150116
278.8335 5.982155
279.3156 5.924553
279.7977 5.844070
280.2798 5.630859
280.7620 5.285255
281.2441 5.051079
281.7262 4.962875
282.2083 4.946785
282.6904 4.901695
283.1725 4.831230
283.6547 4.669495
284.1368 4.270180
284.6189 3.677490
285.1010 3.434052
285.5831 3.616226
286.0652 3.964920
286.5474 4.143341
287.0295 4.152641
287.5116 4.040939
287.9937 3.762520
288.4758 3.355202
288.9579 3.057861
289.4401 2.874237
289.9222 2.761681
290.4043 2.669479
290.8864 2.606979
291.3685 2.591583
291.8506 2.703720
292.3328 2.870354
292.8149 2.828667
293.2970 2.562210
293.7791 2.286461
294.2612 2.312813
294.7433 2.547470
295.2255 2.596275
295.7076 2.160362
296.1897 1.553062
296.6718 1.486862
297.1539 1.947929
297.6360 2.431679
298.1182 2.467720
298.6003 2.192200
299.0824 1.955994
299.5645 1.907219
300.0466 1.881973
300.5287 1.536140
301.0109 0.9294280
301.4930 0.4770660
301.9751 0.6757970
302.4572 1.199387
302.9393 1.468040
303.4214 1.270653
303.9036 0.9494930
304.3857 0.8785710
304.8678 1.002892
305.3499 1.119057
305.8320 1.114326
306.3141 1.027611
306.7963 0.8816600
307.2784 0.6434780
307.7605 0.4508360
308.2426 0.4443210
308.7247 0.5727540
309.2068 0.7139280
309.6890 0.8616870
310.1711 0.9606170
310.6532 0.9198460
311.1353 0.6922000
311.6174 0.5193710
312.0995 0.6798170
312.5817 0.9799960
313.0638 1.110367
313.5459 0.7431340
314.0280 0.3183520
314.5101 0.1505660
314.9922 0.2805180
315.4744 0.3445050
315.9565 3.7659001E-02
316.4386 0.5086590
316.9207 0.6585310
317.4028 8.7433003E-02
317.8849 0.7698440
318.3671 1.002167
318.8492 0.7959210
319.3313 0.4404530
319.8134 0.2999500
320.2955 0.9752960
320.7776 1.221893
321.2598 0.4343340
321.7419 0.2244420
322.2240 0.4193270
322.7061 0.2289960
323.1882 7.5828999E-02
323.6703 0.1699750
324.1525 0.2337570
324.6346 0.1016160
325.1167 0.5425950
325.5988 0.9916310
326.0809 1.089508
326.5630 0.9330600
327.0452 0.7972640
327.5273 0.8036040
328.0094 0.7384190
328.4915 0.4883040
328.9736 0.1495590
329.4557 0.4921650
329.9379 0.3189160
330.4200 7.2959997E-02
330.9021 0.2019270
331.3842 0.1298450
331.8663 0.4654080
332.3484 0.7122340
332.8306 0.8787610
333.3127 0.8741990
333.7948 0.5271840
334.2769 0.1387630
334.7590 8.7012999E-02
335.2411 0.5662460
335.7233 0.9640810
336.2054 1.135437
336.6875 1.082565
337.1696 0.9996950
337.6517 0.8285370
338.1339 0.7690810
338.6160 1.070358
339.0981 1.860222
339.5802 2.407463
340.0623 2.541222
340.5444 2.333809
341.0266 2.135612
341.5087 1.951630
341.9908 1.795647
342.4729 1.648140
342.9550 1.511063
343.4371 1.519051
343.9193 1.710869
344.4014 1.971687
344.8835 2.110985
345.3656 2.129845
345.8477 2.133873
346.3298 2.286057
346.8120 2.494583
347.2941 2.196480
347.7762 1.267021
348.2583 0.4375690
348.7404 0.8560710
349.2225 2.224373
349.7047 3.263329
350.1868 3.266296
350.6689 2.730263
351.1510 2.540115
351.6331 2.690140
352.1152 2.855370
352.5974 2.627930
353.0795 2.239899
353.5616 2.163185
354.0437 2.765327
354.5258 3.421860
355.0079 3.371971
355.4901 2.765305
355.9722 2.273827
356.4543 2.499687
356.9364 2.962624
357.4185 3.145760
357.9006 2.867073
358.3828 2.546410
358.8649 2.489601
359.3470 2.579094
359.8291 2.576111
360.3112 2.165909
360.7933 1.789757
361.2755 1.773628
361.7576 2.207054
362.2397 2.550064
362.7218 2.488838
363.2039 2.266762
363.6860 2.155594
364.1682 2.430969
364.6503 2.627632
365.1324 2.541306
365.6145 2.183327
366.0966 1.899529
366.5787 1.761612
367.0609 1.706627
367.5430 1.694359
368.0251 1.783096
368.5072 1.842621
368.9893 1.874451
369.4714 1.872963
369.9536 1.806938
370.4357 1.518906
370.9178 1.334541
371.3999 1.429214
371.8820 2.032051
372.3641 2.304619
372.8463 2.067650
373.3284 1.615532
373.8105 1.436790
374.2926 1.706696
374.7747 1.797226
375.2568 1.463264
375.7390 0.6628040
376.2211 0.2911760
376.7032 0.4522320
377.1853 0.8163530
377.6674 1.088524
378.1495 1.252167
378.6317 1.306038
379.1138 1.300949
379.5959 1.224594
380.0780 1.029045
380.5601 0.7022710
381.0422 0.4037320
381.5244 0.2358860
382.0065 0.1906740
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386.8276 0.5269320
387.3098 0.7592470
387.7919 0.7099990
388.2740 0.4688110
388.7561 0.2235950
389.2382 5.7868998E-02
389.7203 8.1969999E-02
390.2025 0.2615280
390.6846 0.4599990
391.1667 0.5785520
391.6488 0.4959950
392.1309 0.3513260
392.6130 0.2623520
393.0952 0.2882160
393.5773 0.2635800
394.0594 2.9877000E-02
394.5415 0.2979350
395.0236 0.5059970
395.5057 0.4876790
395.9879 0.3759690
396.4700 0.1502840
396.9521 0.2428050
397.4342 0.3920210
397.9163 9.7350003E-03
398.3984 0.5673370
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399.3627 0.9339070
399.8448 0.8626710
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413.3441 3.937614
413.8262 4.001091
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414.7904 3.429695
415.2725 3.533463
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416.7189 4.695038
417.2010 4.985718
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421.0579 5.448349
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422.0222 6.165970
422.5043 6.340614
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423.4685 5.695259
423.9506 5.795784
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426.3612 6.558693
426.8433 6.617050
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429.7360 8.316139
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440.3426 5.165741
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441.3068 4.679443
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449.0207 3.614227
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454.8061 2.828285
455.2882 3.069672
455.7703 3.518234
456.2524 3.624641
456.7346 3.414001
457.2167 3.110382
457.6988 2.626778
458.1809 2.185616
458.6630 2.250023
459.1451 2.797699
459.6273 3.417717
460.1094 3.855057
460.5915 4.145798
461.0736 4.326950
461.5557 4.420410
462.0378 4.462212
462.5200 4.421402
463.0021 4.360847
463.4842 4.403397
463.9663 4.804955
464.4484 5.147011
464.9305 5.157539
465.4127 4.801025
465.8948 4.565086
466.3769 4.581985
466.8590 4.741638
467.3411 4.966522
467.8232 5.396698
468.3054 5.710777
468.7875 5.833046
469.2696 5.838669
469.7517 5.925491
470.2338 6.134872
470.7159 6.365646
471.1981 6.600433
471.6802 6.812180
472.1623 6.851151
472.6444 6.677925
473.1265 6.438591
473.6086 6.244164
474.0908 6.095505
474.5729 6.060997
475.0550 6.156555
475.5371 6.365044
476.0192 6.756760
476.5013 7.292557
476.9835 7.660233
477.4656 7.480881
477.9477 7.090248
478.4298 7.204613
478.9119 7.869377
479.3940 8.409019
479.8762 8.122345
480.3583 7.443336
480.8404 6.941597
481.3225 6.794548
481.8046 6.838966
482.2867 7.069550
482.7689 7.434189
483.2510 7.798271
483.7331 8.425392
484.2152 8.783195
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