#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:02:13 +0300 (Thu, 26 Apr 2018) $
#$Revision: 619 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000156.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_1000156
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 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            R130055.rod
_rod_data_source.block           3500000
_rod_database.code               1000156
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
101.3240 0.0000000E+00
101.8061 0.3843380
102.2883 0.5249480
102.7704 0.4271850
103.2525 0.3170010
103.7346 0.5870670
104.2167 0.9455260
104.6988 1.484421
105.1810 2.355347
105.6631 3.927521
106.1452 4.471527
106.6273 4.631149
107.1094 4.450226
107.5915 3.897766
108.0737 3.155441
108.5558 2.087769
109.0379 0.8672490
109.5200 8.7996997E-02
110.0021 0.2735900
110.4842 0.4622340
110.9664 1.034729
111.4485 1.384644
111.9306 1.703903
112.4127 2.091553
112.8948 2.561310
113.3769 3.024246
113.8591 3.375824
114.3412 3.509186
114.8233 3.477615
115.3054 3.214249
115.7875 2.911568
116.2696 2.769859
116.7517 2.896759
117.2339 3.187424
117.7160 3.300522
118.1981 3.100861
118.6802 2.988068
119.1623 3.212334
119.6444 3.638397
120.1266 3.916588
120.6087 3.904938
121.0908 3.699692
121.5729 3.552567
122.0550 3.533958
122.5371 3.404831
123.0193 3.346024
123.5014 3.449112
123.9835 3.559563
124.4656 3.587715
124.9477 3.453476
125.4298 3.258080
125.9120 3.032257
126.3941 2.684875
126.8762 2.687523
127.3583 3.413414
127.8404 3.900566
128.3225 3.722542
128.8047 3.281281
129.2868 2.928383
129.7689 2.688942
130.2510 2.726540
130.7331 2.723953
131.2152 2.592087
131.6974 2.369598
132.1795 2.049126
132.6616 1.673576
133.1437 1.391594
133.6258 1.394295
134.1079 1.750092
134.5901 1.964943
135.0722 2.059822
135.5543 2.032471
136.0364 1.785057
136.5185 1.339111
137.0006 0.9060360
137.4828 0.7517470
137.9649 0.9151150
138.4470 1.067551
138.9291 1.232628
139.4112 1.367157
139.8933 1.444672
140.3755 1.481285
140.8576 1.417503
141.3397 1.042168
141.8218 0.3838120
142.3039 9.2873000E-02
142.7860 5.0269999E-02
143.2681 0.3596040
143.7503 0.5680160
144.2324 0.3560180
144.7145 7.7590002E-03
145.1966 0.2328720
145.6787 0.3633880
146.1608 0.4382550
146.6430 0.5085680
147.1251 0.5614550
147.6072 0.5384060
148.0893 0.3080290
148.5714 8.4174998E-02
149.0535 4.1374002E-02
149.5357 0.2021180
150.0178 0.3698650
150.4999 0.1919330
150.9820 0.6356280
151.4641 1.131813
151.9462 1.044937
152.4284 0.7376630
152.9105 0.4711840
153.3926 0.3485570
153.8747 0.3581620
154.3568 0.4941100
154.8389 1.215225
155.3211 1.499413
155.8032 0.7612610
156.2853 0.2828670
156.7674 0.6453780
157.2495 0.2059170
157.7316 1.858841
158.2138 2.572792
158.6959 1.724388
159.1780 1.041870
159.6601 0.4787290
160.1422 8.5068002E-02
160.6243 1.1009000E-02
161.1065 0.4425660
161.5886 1.210266
162.0707 1.552979
162.5528 1.033455
163.0349 0.5465930
163.5170 0.7294770
163.9991 1.515358
164.4813 2.210991
164.9634 2.352371
165.4455 2.098145
165.9276 1.843071
166.4097 1.536827
166.8918 1.307571
167.3740 1.361420
167.8561 1.786049
168.3382 2.197098
168.8203 2.236847
169.3024 2.106102
169.7845 2.048363
170.2667 2.182571
170.7488 2.429169
171.2309 2.635696
171.7130 2.884865
172.1951 2.914268
172.6772 2.417099
173.1594 1.709778
173.6415 1.252571
174.1236 1.360146
174.6057 1.937164
175.0878 2.401131
175.5699 2.639992
176.0521 2.882149
176.5342 3.213142
177.0163 3.592247
177.4984 3.951172
177.9805 4.251869
178.4626 4.493942
178.9448 4.570091
179.4269 4.226662
179.9090 3.965813
180.3911 4.019409
180.8732 4.299332
181.3553 4.558395
181.8375 4.578865
182.3196 4.328842
182.8017 4.136673
183.2838 4.022934
183.7659 3.930450
184.2480 3.820709
184.7301 3.703583
185.2123 3.635391
185.6944 3.677429
186.1765 3.849739
186.6586 3.912674
187.1407 3.838516
187.6228 3.682358
188.1050 3.440102
188.5871 3.119812
189.0692 2.825371
189.5513 2.646515
190.0334 2.589394
190.5155 2.647430
190.9977 3.076340
191.4798 3.508125
191.9619 3.412071
192.4440 2.632835
192.9261 1.813065
193.4082 1.671883
193.8904 2.016472
194.3725 2.327652
194.8546 2.479797
195.3367 2.490593
195.8188 2.370926
196.3009 2.072578
196.7831 1.744576
197.2652 1.445900
197.7473 1.191772
198.2294 1.053032
198.7115 1.100296
199.1936 1.292435
199.6758 1.492432
200.1579 1.756912
200.6400 1.941483
201.1221 1.865288
201.6042 1.635536
202.0863 1.547493
202.5685 1.929077
203.0506 2.731689
203.5327 3.148384
204.0148 2.831352
204.4969 2.463234
204.9790 2.253494
205.4612 2.206337
205.9433 2.292473
206.4254 2.520599
206.9075 2.893768
207.3896 3.074631
207.8717 2.754471
208.3539 2.536316
208.8360 2.644745
209.3181 3.017525
209.8002 3.512070
210.2823 4.056778
210.7644 4.705070
211.2466 4.888840
211.7287 4.123062
212.2108 3.397186
212.6929 3.089195
213.1750 3.180649
213.6571 3.477455
214.1393 3.824066
214.6214 4.274734
215.1035 4.475029
215.5856 4.237144
216.0677 3.922897
216.5498 3.663208
217.0320 3.480461
217.5141 3.353615
217.9962 3.244148
218.4783 3.143684
218.9604 3.343071
219.4425 4.177536
219.9247 5.002014
220.4068 5.429543
220.8889 5.449242
221.3710 5.245567
221.8531 4.905060
222.3352 4.423866
222.8174 4.227577
223.2995 4.608711
223.7816 5.053963
224.2637 5.119347
224.7458 4.796364
225.2279 4.485443
225.7100 4.546356
226.1922 4.933685
226.6743 5.205391
227.1564 5.222244
227.6385 5.184364
228.1206 5.266907
228.6027 5.478203
229.0849 5.761719
229.5670 6.204842
230.0491 6.684334
230.5312 6.858322
231.0133 6.376221
231.4954 5.724068
231.9776 5.486031
232.4597 5.713959
232.9418 6.007736
233.4239 6.094757
233.9060 6.086830
234.3881 6.152069
234.8703 6.337517
235.3524 6.606926
235.8345 6.963776
236.3166 7.461075
236.7987 7.837555
237.2808 7.846886
237.7630 7.683174
238.2451 7.568222
238.7272 7.594872
239.2093 7.663925
239.6914 7.619865
240.1735 7.445473
240.6557 7.201202
241.1378 6.853531
241.6199 6.477066
242.1020 6.139282
242.5841 5.864296
243.0662 5.632957
243.5484 5.412758
244.0305 5.198921
244.5126 5.017052
244.9947 4.850044
245.4768 4.727432
245.9589 4.706459
246.4410 4.807228
246.9232 4.938164
247.4053 4.936005
247.8874 4.756065
248.3695 4.573387
248.8516 4.448318
249.3337 4.323074
249.8159 4.102386
250.2980 3.763939
250.7801 3.450417
251.2622 3.455345
251.7443 4.047325
252.2264 4.336243
252.7086 4.059586
253.1907 3.618698
253.6728 3.315983
254.1549 3.227608
254.6370 3.175098
255.1191 2.802628
255.6013 1.764397
256.0834 1.223843
256.5655 1.527660
257.0476 2.005196
257.5297 2.210594
258.0118 2.067539
258.4940 1.806213
258.9761 1.742069
259.4582 1.979897
259.9403 2.174412
260.4224 2.328392
260.9045 2.427410
261.3867 2.457512
261.8688 2.417027
262.3509 2.313324
262.8330 2.129597
263.3151 1.776539
263.7972 1.731121
264.2794 2.263184
264.7615 2.810337
265.2436 3.016888
265.7257 2.893467
266.2078 2.706287
266.6899 2.705837
267.1721 2.938358
267.6542 3.076340
268.1363 3.082073
268.6184 3.049809
269.1005 3.006508
269.5826 2.961033
270.0648 2.924469
270.5469 2.914078
271.0290 2.934593
271.5111 2.908360
271.9932 2.764309
272.4753 2.653187
272.9575 2.633385
273.4396 2.697418
273.9217 2.817768
274.4038 2.981689
274.8859 3.186874
275.3680 3.398407
275.8501 3.703758
276.3322 3.924805
276.8144 3.949371
277.2965 3.844280
277.7786 3.762260
278.2607 3.794323
278.7428 3.902184
279.2249 3.919155
279.7071 4.004616
280.1892 3.841705
280.6713 3.053436
281.1534 1.998589
281.6355 1.362629
282.1176 1.481079
282.5998 2.050438
283.0819 2.297955
283.5640 2.126469
284.0461 1.886066
284.5282 1.502632
285.0103 1.129097
285.4925 1.050243
285.9746 1.387321
286.4567 1.870953
286.9388 2.027096
287.4209 1.761463
287.9030 1.526833
288.3852 1.442768
288.8673 1.406372
289.3494 1.282314
289.8315 1.037262
290.3136 0.7563480
290.7957 0.5123600
291.2779 0.2941550
291.7600 0.2375680
292.2421 0.5957340
292.7242 0.9865490
293.2063 0.9515840
293.6884 0.4403460
294.1706 9.2045002E-02
294.6527 0.2038420
295.1348 0.1179390
295.6169 0.3376810
296.0990 0.3539770
296.5811 0.3226620
297.0633 0.3919870
297.5454 0.5547030
298.0275 0.6519890
298.5096 0.5294800
298.9917 0.2407000
299.4738 0.1309850
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300.4381 0.6220700
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301.4023 0.7984920
301.8844 0.6973460
302.3665 0.4045370
302.8487 9.6969996E-03
303.3308 0.2303500
303.8129 0.3324320
304.2950 0.2838630
304.7771 8.1749000E-02
305.2592 0.6141780
305.7414 0.8997840
306.2235 0.7424810
306.7056 0.3402820
307.1877 6.2827997E-02
307.6698 8.3812997E-02
308.1519 0.1824460
308.6341 0.2730100
309.1162 0.3297460
309.5983 0.2686810
310.0804 4.1119002E-02
310.5625 0.1868210
311.0446 0.1162530
311.5268 0.2742960
312.0089 0.4504470
312.4910 8.7817997E-02
312.9731 0.4420970
313.4552 0.6486820
313.9373 0.4513590
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315.3837 0.9492800
315.8658 1.138802
316.3479 0.5645220
316.8300 0.1099210
317.3121 0.3179470
317.7943 9.9270001E-02
318.2764 0.1764140
318.7585 0.2908860
319.2406 0.2530670
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320.2048 5.8749998E-03
320.6870 0.1883660
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332.2578 2.368801
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333.7041 1.374218
334.1862 1.438061
334.6683 1.469086
335.1505 1.240623
335.6326 0.8154180
336.1147 0.6473460
336.5968 0.8772090
337.0789 1.179131
337.5610 1.471153
338.0432 1.746998
338.5253 1.948345
339.0074 2.018848
339.4895 2.026310
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340.4537 2.793213
340.9359 3.128445
341.4180 2.927238
341.9001 2.470257
342.3822 2.085941
342.8643 1.869122
343.3464 1.791508
343.8286 1.822220
344.3107 1.988438
344.7928 2.206905
345.2749 2.594788
345.7570 2.951283
346.2391 3.108601
346.7213 3.064083
347.2034 2.920898
347.6855 2.755024
348.1676 2.562725
348.6497 2.459396
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349.6140 2.592319
350.0961 2.537994
350.5782 2.411049
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351.5424 2.380562
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352.5067 2.507809
352.9888 2.166889
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357.3278 2.251766
357.8099 2.551582
358.2920 2.793659
358.7741 2.836891
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359.7384 2.464638
360.2205 2.262775
360.7026 2.071499
361.1847 2.008598
361.6668 2.277691
362.1490 2.467411
362.6311 2.352116
363.1132 2.061481
363.5953 1.881176
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364.5595 2.313015
365.0417 2.467686
365.5238 2.322083
366.0059 2.183685
366.4880 2.133537
366.9701 2.086628
367.4522 1.932762
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368.4165 1.346096
368.8986 1.200336
369.3807 1.264927
369.8628 1.316105
370.3449 1.454464
370.8271 1.522057
371.3092 1.391094
371.7913 1.091213
372.2734 0.7708780
372.7555 0.5678140
373.2376 0.4796980
373.7198 0.3457220
374.2019 3.3649001E-02
374.6840 0.2066350
375.1661 0.1502570
375.6482 0.7740970
376.1303 1.220257
376.6125 1.255226
377.0946 1.029713
377.5767 0.8520580
378.0588 0.6963040
378.5409 0.6544690
379.0230 0.9368550
379.5052 1.224884
379.9873 1.254429
380.4694 0.9903950
380.9515 0.6463780
381.4336 0.3855780
381.9157 0.2065810
382.3979 0.1142200
382.8800 0.1544990
383.3621 0.2305870
383.8442 0.2752300
384.3263 0.2970810
384.8084 0.3282890
385.2906 0.3971670
385.7727 0.4848670
386.2548 0.5861780
386.7369 0.7462040
387.2190 0.7490840
387.7011 0.2274930
388.1833 0.4632570
388.6654 0.7824210
389.1475 0.4857370
389.6296 6.0005002E-02
390.1117 5.6586999E-02
390.5938 9.7163998E-02
391.0760 0.2231600
391.5581 0.2230570
392.0402 0.1537510
392.5223 9.1968998E-02
393.0044 3.8077999E-02
393.4865 6.6990000E-03
393.9687 7.6370001E-02
394.4508 0.1292340
394.9329 6.2648997E-02
395.4150 0.1516530
395.8971 0.3502200
396.3792 0.4006650
396.8614 0.3002200
397.3435 0.1266370
397.8256 0.2179870
398.3077 0.5478360
398.7898 0.7701230
399.2719 0.8799630
399.7540 0.8533130
400.2361 0.6515690
400.7183 0.3478200
401.2004 0.1588550
401.6825 0.1174810
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