#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:27:11 +0300 (Thu, 24 May 2018) $
#$Revision: 710 $
#$URL: svn://172.16.1.111/rod/cif/2/20/00/2200000.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2200000
loop_
_publ_author_name
'Morrison, Shaunna M.'
'Downs, Robert T.'
'Yang, Hexiong'
_publ_section_title
;
 Redetermination of kovdorskite, Mg~2~PO~4~(OH)&#x00B7;3H~2~O
;
_journal_coeditor_code           WM2577
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              12
_journal_page_last               13
_journal_paper_doi               10.1107/S1600536812000256
_journal_volume                  68
_journal_year                    2012
_chemical_compound_source        R050505
_chemical_formula_iupac          'Mg2 P O4 (O H), 3H2 O'
_chemical_formula_sum            'H7 Mg2 O8 P'
_chemical_formula_weight         214.65
_chemical_name_common            Kovdorskite
_chemical_name_systematic
;
dimagnesium phosphate hydroxide trihydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.0540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.47850(10)
_cell_length_b                   12.9336(2)
_cell_length_c                   4.73080(10)
_cell_volume                     619.137(18)
_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            R050505.rod
_rod_data_source.block           3500000
_rod_database.code               2200000
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 2233662 COD http://www.crystallography.net/cod/2233662.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
126.1206 0.0000000E+00
126.6027 1.827911
127.0848 0.9640350
127.5669 1.472946
128.0491 8.799255
128.5312 18.79980
129.0133 28.30246
129.4954 37.22992
129.9775 48.16559
130.4596 62.67474
130.9418 80.40750
131.4239 101.1374
131.9060 125.1284
132.3881 151.7878
132.8702 181.6879
133.3523 215.5406
133.8345 245.2336
134.3166 266.2142
134.7987 278.4356
135.2808 275.7647
135.7629 253.2787
136.2450 214.9558
136.7272 179.8653
137.2093 147.1431
137.6914 119.5682
138.1735 100.7716
138.6556 91.93192
139.1377 86.52069
139.6199 82.96362
140.1020 81.22610
140.5841 82.53320
141.0662 87.22021
141.5483 94.43738
142.0304 103.3697
142.5126 114.3432
142.9947 125.9726
143.4768 136.6169
143.9589 145.6301
144.4410 152.4969
144.9231 155.6708
145.4053 157.8236
145.8874 163.2756
146.3695 173.6194
146.8516 184.8738
147.3337 195.7136
147.8158 206.3406
148.2980 216.5684
148.7801 225.5724
149.2622 234.3728
149.7443 244.7482
150.2264 256.6364
150.7085 270.3840
151.1907 286.3436
151.6728 306.2141
152.1549 325.8973
152.6370 341.8934
153.1191 356.8473
153.6012 377.1709
154.0834 406.9581
154.5655 439.0548
155.0476 470.7610
155.5297 500.5721
156.0118 530.1293
156.4939 561.2393
156.9761 592.8603
157.4582 620.3932
157.9403 647.3056
158.4224 667.1760
158.9045 676.4136
159.3866 675.0097
159.8688 662.3577
160.3509 636.3644
160.8330 598.3477
161.3151 554.0795
161.7972 500.5844
162.2793 444.3197
162.7615 390.1651
163.2436 336.3413
163.7257 287.7740
164.2078 246.3180
164.6899 211.6314
165.1720 181.6969
165.6541 156.8853
166.1363 135.7497
166.6184 116.8595
167.1005 99.49875
167.5826 84.38705
168.0647 72.05890
168.5468 62.41064
169.0290 54.36917
169.5111 48.22614
169.9932 43.05215
170.4753 37.60339
170.9574 30.93408
171.4395 24.16415
171.9217 17.86838
172.4038 12.05573
172.8859 7.375092
173.3680 5.014496
173.8501 2.179823
174.3322 2.966278
174.8144 0.6890560
175.2965 1.995850
175.7786 4.130249
176.2607 5.711121
176.7428 7.059967
177.2249 8.732208
177.7071 10.42404
178.1892 11.42044
178.6713 10.95923
179.1534 9.727448
179.6355 9.094025
180.1176 9.213287
180.5998 8.900726
181.0819 5.935303
181.5640 1.203339
182.0461 2.246185
182.5282 1.889862
183.0103 0.7008970
183.4925 2.035126
183.9746 2.419739
184.4567 1.638214
184.9388 0.3664860
185.4209 3.308380
185.9030 5.635284
186.3852 6.368225
186.8673 5.882751
187.3494 5.385834
187.8315 4.893646
188.3136 4.869751
188.7957 5.771698
189.2779 7.576447
189.7600 10.41223
190.2421 15.20712
190.7242 21.37064
191.2063 25.39575
191.6884 26.64987
192.1706 27.02020
192.6527 29.60712
193.1348 34.42596
193.6169 39.63037
194.0990 44.12463
194.5811 47.99020
195.0633 52.87241
195.5454 58.86551
196.0275 65.81985
196.5096 73.59656
196.9917 82.34314
197.4738 90.66052
197.9560 97.67657
198.4381 103.3666
198.9202 109.3227
199.4023 115.9213
199.8844 122.3503
200.3665 127.2997
200.8487 130.9940
201.3308 132.2326
201.8129 130.0677
202.2950 124.3370
202.7771 117.2810
203.2592 108.4930
203.7414 99.00650
204.2235 90.55029
204.7056 83.02911
205.1877 77.16220
205.6698 73.31052
206.1519 71.46875
206.6341 71.09515
207.1162 72.47775
207.5983 75.06354
208.0804 77.47754
208.5625 79.37692
209.0446 82.52252
209.5268 87.79755
210.0089 95.43802
210.4910 102.9423
210.9731 110.1638
211.4552 117.4174
211.9373 125.2001
212.4195 133.4071
212.9016 142.3010
213.3837 152.3554
213.8658 164.3010
214.3479 175.0216
214.8300 184.3968
215.3121 192.6458
215.7943 200.1882
216.2764 206.7308
216.7585 212.9442
217.2406 219.2675
217.7227 225.8724
218.2048 231.6673
218.6870 236.0746
219.1691 239.9243
219.6512 245.7012
220.1333 255.1743
220.6154 263.3287
221.0975 267.7686
221.5797 266.7684
222.0618 266.8882
222.5439 268.0201
223.0260 270.3301
223.5081 274.1237
223.9902 278.9282
224.4724 286.0590
224.9545 296.3262
225.4366 311.3953
225.9187 325.3102
226.4008 338.2359
226.8829 350.0670
227.3651 361.1376
227.8472 373.7269
228.3293 381.9911
228.8114 384.0746
229.2935 380.5339
229.7757 368.9406
230.2578 347.5587
230.7399 319.1032
231.2220 287.6788
231.7041 250.4294
232.1862 215.0995
232.6684 184.4064
233.1505 158.9055
233.6326 136.0861
234.1147 116.0519
234.5968 98.60641
235.0789 83.89526
235.5611 72.66632
236.0432 63.02612
236.5253 54.52722
237.0074 47.69272
237.4895 40.54675
237.9716 32.28802
238.4538 24.18076
238.9359 18.52692
239.4180 16.73779
239.9001 14.98331
240.3822 11.98813
240.8643 7.379181
241.3465 3.221100
241.8286 0.8506470
242.3107 4.161011
242.7928 5.668640
243.2749 4.663574
243.7570 3.154541
244.2392 1.474243
244.7213 0.5440060
245.2034 1.675354
245.6855 1.477264
246.1676 0.7778020
246.6497 0.5505680
247.1319 0.7045290
247.6140 1.521179
248.0961 3.215820
248.5782 5.912140
249.0603 8.383911
249.5424 10.18295
250.0246 12.21201
250.5067 15.57343
250.9888 20.83694
251.4709 26.30499
251.9530 31.48996
252.4351 36.38754
252.9173 42.27792
253.3994 50.01776
253.8815 57.86145
254.3636 64.27356
254.8457 69.33197
255.3278 72.65671
255.8100 74.41574
256.2921 74.55923
256.7742 71.50723
257.2563 64.39188
257.7384 55.26685
258.2205 45.65375
258.7026 34.83252
259.1848 25.15018
259.6669 16.99750
260.1490 10.29688
260.6311 5.045441
261.1132 1.601135
261.5953 0.9628300
262.0775 3.331848
262.5596 5.755676
263.0417 7.252594
263.5238 7.465454
264.0059 6.671021
264.4880 6.094391
264.9702 5.566650
265.4523 5.616638
265.9344 7.023041
266.4165 10.70001
266.8986 12.33762
267.3807 11.08038
267.8629 7.750580
268.3450 5.000183
268.8271 2.954163
269.3092 1.082642
269.7913 1.132629
270.2734 3.952393
270.7556 5.737946
271.2377 6.201660
271.7198 5.806610
272.2019 5.358185
272.6840 4.565735
273.1661 4.744354
273.6483 7.091034
274.1304 12.06238
274.6125 15.27109
275.0946 16.23853
275.5767 15.93936
276.0588 15.88385
276.5410 16.00122
277.0231 16.67944
277.5052 18.46133
277.9873 21.38483
278.4694 22.82770
278.9515 22.39893
279.4337 21.28790
279.9158 21.04373
280.3979 21.68433
280.8800 22.98627
281.3621 25.40466
281.8442 28.67343
282.3264 29.67218
282.8085 27.87283
283.2906 25.65417
283.7727 25.93961
284.2548 28.75787
284.7369 31.74286
285.2191 34.37241
285.7012 36.61838
286.1833 38.25467
286.6654 39.17233
287.1475 40.22568
287.6296 42.51630
288.1118 45.89447
288.5939 48.67291
289.0760 50.24841
289.5581 51.13022
290.0402 52.68344
290.5223 54.93188
291.0045 57.27338
291.4866 58.98624
291.9687 60.31415
292.4508 62.41470
292.9329 65.52878
293.4150 69.47638
293.8972 74.39435
294.3793 80.20789
294.8614 86.02582
295.3435 90.69580
295.8256 94.85541
296.3077 100.1724
296.7899 106.7684
297.2720 114.6704
297.7541 124.3979
298.2362 135.5613
298.7183 146.6421
299.2004 156.5848
299.6826 165.6801
300.1647 175.2716
300.6468 185.6887
301.1289 195.6043
301.6110 204.4011
302.0931 211.6567
302.5753 216.5330
303.0574 218.6084
303.5395 217.8653
304.0216 214.1090
304.5037 207.3187
304.9858 198.2384
305.4680 186.8060
305.9501 173.6380
306.4322 159.7505
306.9143 143.5883
307.3964 128.1318
307.8785 115.9305
308.3607 106.9105
308.8428 99.72705
309.3249 94.26288
309.8070 89.86639
310.2891 85.77802
310.7712 81.58499
311.2534 77.82199
311.7355 74.62097
312.2176 72.05548
312.6997 70.52475
313.1818 70.37088
313.6639 71.25800
314.1461 73.05301
314.6282 76.05878
315.1103 79.21823
315.5924 82.21613
316.0745 84.97415
316.5566 87.38080
317.0388 89.05688
317.5209 90.58417
318.0030 92.44373
318.4851 94.86172
318.9672 96.65033
319.4493 97.22076
319.9315 96.95718
320.4136 96.37640
320.8957 95.80011
321.3778 94.94336
321.8599 93.60464
322.3420 91.70193
322.8242 90.01102
323.3063 88.38049
323.7884 87.04984
324.2705 86.16397
324.7526 85.39996
325.2347 85.89948
325.7169 88.21353
326.1990 92.22641
326.6811 96.71567
327.1632 101.3628
327.6453 106.6210
328.1274 112.6999
328.6096 119.7532
329.0917 127.3495
329.5738 135.8704
330.0559 144.8917
330.5380 153.1459
331.0201 159.6870
331.5023 166.5764
331.9844 174.8051
332.4665 185.2993
332.9486 194.5327
333.4307 201.5848
333.9128 207.9230
334.3950 215.6445
334.8771 224.7632
335.3592 235.4170
335.8413 247.8459
336.3234 262.2957
336.8055 276.1985
337.2877 288.9083
337.7698 301.7006
338.2519 316.2605
338.7340 332.7602
339.2161 349.9691
339.6982 367.2630
340.1803 385.0098
340.6624 404.8015
341.1446 427.4806
341.6267 450.0735
342.1088 471.1023
342.5909 490.2854
343.0730 507.4819
343.5551 523.0208
344.0373 536.1848
344.5194 544.9302
345.0015 549.3386
345.4836 549.4046
345.9657 545.4694
346.4478 537.3306
346.9300 523.5856
347.4121 503.6936
347.8942 479.5069
348.3763 451.6523
348.8584 420.7856
349.3405 390.0706
349.8227 360.4134
350.3048 331.9987
350.7869 304.7285
351.2690 278.6649
351.7511 255.1852
352.2332 236.8489
352.7154 222.2684
353.1975 208.4432
353.6796 194.1124
354.1617 180.4366
354.6438 168.9529
355.1259 159.4129
355.6081 150.5671
356.0902 140.7575
356.5723 131.4389
357.0544 124.4207
357.5365 120.7430
358.0186 117.9333
358.5008 114.7207
358.9829 111.1368
359.4650 107.2559
359.9471 101.7293
360.4292 96.91895
360.9113 94.38690
361.3935 94.44873
361.8756 95.78998
362.3577 98.95221
362.8398 102.7516
363.3219 105.8419
363.8040 107.0387
364.2862 108.2842
364.7683 109.9995
365.2504 112.2371
365.7325 115.2797
366.2146 119.3290
366.6967 124.1283
367.1789 129.5181
367.6610 135.6783
368.1431 142.2039
368.6252 149.0123
369.1073 156.2176
369.5894 164.0327
370.0716 173.4801
370.5537 182.5486
371.0358 190.5714
371.5179 197.2839
372.0000 203.7369
372.4821 209.6267
372.9643 215.3922
373.4464 221.8763
373.9285 230.1841
374.4106 236.7767
374.8927 241.0873
375.3748 243.0900
375.8570 241.9817
376.3391 237.0914
376.8212 230.4647
377.3033 223.9206
377.7854 217.7546
378.2675 209.5582
378.7497 198.5455
379.2318 185.6942
379.7139 173.0880
380.1960 160.8788
380.6781 148.4318
381.1602 134.6425
381.6424 120.0519
382.1245 108.6977
382.6066 101.2078
383.0887 94.70096
383.5708 84.73431
384.0529 72.18723
384.5351 60.83511
385.0172 52.70248
385.4993 46.63327
385.9814 40.41898
386.4635 34.13257
386.9456 28.23450
387.4278 23.08563
387.9099 18.65512
388.3920 14.90015
388.8741 12.05838
389.3562 9.500885
389.8383 6.476074
390.3205 3.212524
390.8026 0.4419250
391.2847 1.184509
391.7668 2.345245
392.2489 3.591339
392.7310 5.032806
393.2132 6.291077
393.6953 7.190277
394.1774 7.787750
394.6595 8.154175
395.1416 7.957855
395.6237 7.862823
396.1059 8.145142
396.5880 8.786499
397.0701 9.431854
397.5522 10.24448
398.0343 10.87161
398.5164 11.11395
398.9986 11.63559
399.4807 10.86298
399.9628 7.900879
400.4449 3.677490
400.9270 0.3305660
401.4091 1.565613
401.8913 3.280731
402.3734 5.102417
402.8555 6.947754
403.3376 9.406952
403.8197 12.66269
404.3018 16.31436
404.7840 20.05734
405.2661 24.08768
405.7482 27.50464
406.2303 30.00006
406.7124 31.78790
407.1945 33.78961
407.6767 35.95831
408.1588 38.53903
408.6409 42.26434
409.1230 46.94611
409.6051 50.07745
410.0872 51.44931
410.5694 51.34784
411.0515 49.65912
411.5336 46.61899
412.0157 43.71613
412.4978 42.06839
412.9799 40.87369
413.4621 38.25296
413.9442 34.22299
414.4263 30.22952
414.9084 27.63553
415.3905 25.80011
415.8727 23.56668
416.3548 20.28278
416.8369 17.10910
417.3190 15.06146
417.8011 13.90735
418.2832 12.99991
418.7654 12.08005
419.2475 11.25681
419.7296 10.47900
420.2117 9.636475
420.6938 9.454651
421.1759 10.32461
421.6581 11.94397
422.1402 14.01260
422.6223 17.46362
423.1044 20.27533
423.5865 21.51724
424.0686 21.42230
424.5508 21.89462
425.0329 22.67880
425.5150 24.42255
425.9971 27.55139
426.4792 33.10577
426.9613 37.86426
427.4435 41.41040
427.9256 44.36841
428.4077 47.61935
428.8898 51.03024
429.3719 55.17303
429.8540 60.43060
430.3362 66.68524
430.8183 72.55276
431.3004 77.85950
431.7825 83.18344
432.2646 89.06271
432.7467 95.47186
433.2289 101.8798
433.7110 108.1131
434.1931 114.2673
434.6752 120.2145
435.1573 126.0240
435.6394 132.4922
436.1216 140.1923
436.6036 148.8461
437.0858 158.0387
437.5679 167.8278
438.0500 177.1187
438.5321 184.4856
439.0142 190.7851
439.4963 197.4486
439.9785 204.8893
440.4606 212.8856
440.9427 221.7355
441.4248 231.0526
441.9069 239.5654
442.3890 246.0112
442.8712 252.0062
443.3533 258.5238
443.8354 265.7153
444.3175 273.2511
444.7996 281.0658
445.2817 288.9578
445.7639 296.7466
446.2460 304.8492
446.7281 312.6216
447.2102 319.8050
447.6923 326.4614
448.1744 332.9438
448.6566 338.8597
449.1387 344.7755
449.6208 351.0881
450.1029 358.2922
450.5850 364.8419
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