#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:34:43 +0300 (Thu, 24 May 2018) $
#$Revision: 740 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000244.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_1000244
loop_
_publ_author_name
'Yakubovich, O. V.'
'Massa, W.'
'Liferovich, R. P.'
'Pakhomovsky, Y. A.'
_publ_section_title
;
 The crystal structure of bakhchisaraitsevite,
 [Na2(H2O)2]{(Mg4.5Fe0.5)(PO4)4(H2O)5}, a new mineral species of
 hydrothermal origin from the Kovdor phoscorite - carbonatite complex,
 Russia Locality: Kovdor phoscorite - carbonatite complex, Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              831
_journal_page_last               838
_journal_paper_doi               10.2113/gscanmin.38.4.831
_journal_volume                  38
_journal_year                    2000
_chemical_compound_source        R060607
_chemical_formula_sum            'Fe0.528 H15 Mg4.472 Na2 O23 P4'
_chemical_name_mineral           Bakhchisaraitsevite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.01
_cell_angle_gamma                90
_cell_length_a                   8.3086
_cell_length_b                   12.906
_cell_length_c                   17.486
_cell_volume                     1833.995
_exptl_crystal_density_diffrn    2.503
_cod_original_cell_volume        1833.996
_cod_original_formula_sum        '(Mg4.472 Fe.528) P4 Na2 O23 H15'
_cod_database_code               9004595
_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            R060607.rod
_rod_data_source.block           3500000
_rod_database.code               1000244
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 9004595 COD http://www.crystallography.net/cod/9004595.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
133.575 0.000
134.057 0.984
134.539 3.153
135.021 0.562
135.503 0.870
135.985 9.379
136.467 29.466
136.949 57.570
137.432 94.053
137.914 138.734
138.396 185.360
138.878 237.254
139.360 285.334
139.842 313.057
140.324 316.206
140.806 309.254
141.288 294.003
141.771 263.010
142.253 251.122
142.735 263.223
143.217 293.401
143.699 321.179
144.181 331.941
144.663 360.250
145.145 363.173
145.628 383.978
146.110 400.128
146.592 411.906
147.074 406.846
147.556 423.187
148.038 432.784
148.520 419.879
149.002 405.382
149.484 376.445
149.967 360.815
150.449 378.861
150.931 427.536
151.413 455.358
151.895 429.632
152.377 398.783
152.859 407.868
153.342 392.951
153.824 386.998
154.306 378.066
154.788 366.016
155.270 341.113
155.752 325.973
156.234 302.905
156.716 279.687
157.198 265.826
157.680 235.055
158.163 221.276
158.645 200.864
159.127 183.644
159.609 159.849
160.091 138.042
160.573 144.174
161.055 126.356
161.538 103.477
162.020 86.962
162.502 83.685
162.984 79.533
163.466 64.152
163.948 41.480
164.430 26.357
164.912 9.589
165.394 14.949
165.876 15.020
166.359 10.091
166.841 15.016
167.323 13.914
167.805 17.059
168.287 8.685
168.769 14.940
169.251 5.644
169.733 0.463
170.216 4.026
170.698 3.606
171.180 13.681
171.662 20.461
172.144 25.574
172.626 27.979
173.108 16.415
173.590 4.012
174.072 4.777
174.555 10.959
175.037 14.587
175.519 15.157
176.001 17.108
176.483 25.348
176.965 23.460
177.447 10.784
177.929 3.302
178.412 15.919
178.894 20.490
179.376 14.384
179.858 7.386
180.340 13.456
180.822 29.904
181.304 44.588
181.786 42.360
182.268 32.891
182.751 40.082
183.233 70.169
183.715 111.236
184.197 148.851
184.679 182.995
185.161 209.206
185.643 221.325
186.125 222.179
186.607 224.541
187.090 232.935
187.572 240.996
188.054 233.604
188.536 210.526
189.018 185.308
189.500 167.702
189.982 157.472
190.464 152.719
190.947 156.306
191.429 161.708
191.911 155.691
192.393 137.158
192.875 115.814
193.357 98.932
193.839 86.599
194.321 80.272
194.803 83.084
195.286 92.266
195.768 94.371
196.250 88.821
196.732 78.761
197.214 62.661
197.696 39.395
198.178 29.760
198.661 45.083
199.143 82.230
199.625 108.845
200.107 123.714
200.589 131.820
201.071 136.785
201.553 137.075
202.035 144.833
202.517 169.339
202.999 210.884
203.482 232.257
203.964 225.490
204.446 211.185
204.928 223.818
205.410 269.613
205.892 315.967
206.374 348.768
206.857 366.338
207.339 386.896
207.821 413.382
208.303 439.402
208.785 452.382
209.267 449.630
209.749 441.966
210.231 432.011
210.713 417.946
211.195 411.711
211.678 414.966
212.160 425.423
212.642 438.028
213.124 453.449
213.606 470.190
214.088 488.537
214.570 510.041
215.052 526.990
215.535 537.154
216.017 543.622
216.499 553.942
216.981 566.322
217.463 585.779
217.945 618.470
218.427 673.712
218.909 711.272
219.391 718.006
219.874 707.130
220.356 730.713
220.838 807.450
221.320 886.904
221.802 938.415
222.284 950.625
222.766 962.588
223.248 976.367
223.731 993.422
224.213 1017.574
224.695 1052.431
225.177 1084.282
225.659 1103.488
226.141 1106.357
226.623 1112.852
227.105 1124.766
227.587 1140.849
228.070 1147.852
228.552 1141.890
229.034 1129.994
229.516 1116.620
229.998 1098.599
230.480 1087.091
230.962 1088.008
231.444 1099.916
231.926 1106.756
232.409 1106.248
232.891 1067.952
233.373 1051.213
233.855 1034.055
234.337 1016.518
234.819 987.164
235.301 983.294
235.783 975.510
236.266 971.265
236.748 982.507
237.230 976.242
237.712 995.061
238.194 1009.298
238.676 1031.286
239.158 1048.766
239.640 1072.717
240.122 1108.937
240.605 1144.393
241.087 1176.435
241.569 1221.946
242.051 1258.078
242.533 1303.783
243.015 1384.175
243.497 1442.582
243.980 1467.306
244.462 1482.571
244.944 1509.026
245.426 1552.307
245.908 1595.461
246.390 1636.584
246.872 1675.661
247.354 1710.560
247.836 1741.512
248.318 1767.163
248.801 1785.963
249.283 1796.862
249.765 1802.649
250.247 1803.146
250.729 1798.414
251.211 1791.574
251.693 1782.207
252.176 1771.781
252.658 1762.196
253.140 1755.944
253.622 1745.697
254.104 1728.186
254.586 1703.849
255.068 1688.526
255.550 1689.562
256.032 1690.645
256.514 1666.679
256.997 1579.284
257.479 1563.167
257.961 1540.637
258.443 1545.392
258.925 1543.582
259.407 1535.559
259.889 1502.580
260.371 1501.468
260.854 1470.369
261.336 1441.310
261.818 1391.636
262.300 1323.868
262.782 1274.853
263.264 1255.050
263.746 1238.819
264.228 1201.428
264.711 1133.604
265.193 1072.311
265.675 1024.874
266.157 990.388
266.639 954.688
267.121 917.546
267.603 880.226
268.085 843.306
268.567 807.942
269.050 770.076
269.532 728.563
270.014 684.310
270.496 642.769
270.978 606.529
271.460 568.090
271.942 522.299
272.424 493.298
272.906 460.261
273.389 423.398
273.871 371.185
274.353 338.855
274.835 298.588
275.317 258.026
275.799 228.572
276.281 178.723
276.763 149.145
277.246 111.508
277.728 72.018
278.210 38.165
278.692 9.380
279.174 11.327
279.656 17.626
280.138 8.884
280.620 6.096
281.103 15.647
281.585 31.427
282.067 31.187
282.549 12.096
283.031 4.113
283.513 4.046
283.995 31.281
284.477 11.206
284.959 9.891
285.441 19.884
285.924 21.565
286.406 14.159
286.888 11.479
287.370 27.689
287.852 5.622
288.334 18.843
288.816 30.145
289.298 36.038
289.781 55.148
290.263 87.060
290.745 112.967
291.227 116.154
291.709 101.681
292.191 90.524
292.673 84.312
293.155 83.407
293.638 92.622
294.120 110.417
294.602 123.843
295.084 122.508
295.566 110.667
296.048 98.846
296.530 86.467
297.012 79.104
297.494 68.254
297.977 51.427
298.459 58.419
298.941 59.849
299.423 57.127
299.905 33.139
300.387 37.338
300.869 30.271
301.351 23.041
301.833 31.966
302.316 12.275
302.798 21.728
303.280 20.415
303.762 25.150
304.244 18.581
304.726 15.293
305.208 36.603
305.690 61.389
306.172 81.423
306.655 88.806
307.137 91.083
307.619 94.166
308.101 97.983
308.583 104.221
309.065 118.794
309.547 136.405
310.030 148.352
310.512 140.491
310.994 133.620
311.476 147.162
311.958 179.003
312.440 211.507
312.922 236.150
313.404 255.365
313.886 271.923
314.369 291.545
314.851 304.567
315.333 296.166
315.815 272.122
316.297 258.841
316.779 280.628
317.261 310.861
317.743 329.148
318.225 325.837
318.708 314.796
319.190 293.240
319.672 265.413
320.154 248.845
320.636 231.848
321.118 238.667
321.600 219.305
322.082 242.328
322.565 255.051
323.047 258.025
323.529 222.087
324.011 236.374
324.493 230.517
324.975 223.825
325.457 234.065
325.939 216.482
326.422 203.914
326.904 191.265
327.386 178.918
327.868 168.105
328.350 146.433
328.832 138.060
329.314 156.201
329.796 222.563
330.278 254.644
330.760 230.623
331.243 181.991
331.725 154.032
332.207 159.190
332.689 167.064
333.171 167.866
333.653 158.885
334.135 166.497
334.617 205.371
335.100 245.975
335.582 250.683
336.064 200.946
336.546 164.269
337.028 158.690
337.510 182.291
337.992 196.804
338.474 200.094
338.957 196.475
339.439 188.923
339.921 178.076
340.403 168.616
340.885 161.698
341.367 154.674
341.849 137.670
342.331 110.005
342.813 91.310
343.296 105.228
343.778 150.416
344.260 174.478
344.742 166.826
345.224 139.633
345.706 117.634
346.188 99.857
346.670 89.771
347.152 95.812
347.635 112.754
348.117 119.479
348.599 113.145
349.081 100.469
349.563 85.588
350.045 70.443
350.527 63.470
351.009 76.136
351.491 97.914
351.974 111.183
352.456 115.211
352.938 112.102
353.420 100.030
353.902 82.448
354.384 66.021
354.866 56.510
355.349 47.856
355.831 32.190
356.313 10.075
356.795 8.482
357.277 14.394
357.759 13.902
358.241 14.013
358.723 16.841
359.205 20.783
359.688 24.226
360.170 27.687
360.652 33.727
361.134 35.723
361.616 23.487
362.098 10.270
362.580 5.119
363.062 19.234
363.544 33.212
364.027 45.072
364.509 50.586
364.991 45.901
365.473 37.013
365.955 24.895
366.437 5.493
366.919 6.107
367.401 5.563
367.884 22.259
368.366 18.234
368.848 21.789
369.330 4.352
369.812 23.200
370.294 35.162
370.776 19.763
371.258 39.602
371.741 45.268
372.223 50.329
372.705 32.340
373.187 32.156
373.669 25.463
374.151 17.011
374.633 6.662
375.115 5.346
375.597 19.714
376.079 38.695
376.562 64.695
377.044 81.096
377.526 82.766
378.008 77.054
378.490 81.834
378.972 98.021
379.454 118.450
379.936 140.693
380.419 164.284
380.901 188.195
381.383 212.542
381.865 236.387
382.347 256.457
382.829 273.797
383.311 294.135
383.793 324.051
384.276 357.716
384.758 383.243
385.240 400.363
385.722 413.597
386.204 425.685
386.686 436.902
387.168 447.348
387.650 452.735
388.132 461.968
388.615 490.201
389.097 533.338
389.579 569.851
390.061 580.393
390.543 580.581
391.025 587.591
391.507 611.562
391.989 627.502
392.471 617.158
392.954 589.289
393.436 561.939
393.918 535.643
394.400 516.979
394.882 512.734
395.364 527.478
395.846 536.551
396.328 532.358
396.810 520.281
397.293 506.245
397.775 483.007
398.257 466.311
398.739 464.194
399.221 477.008
399.703 478.479
400.185 458.406
400.668 434.994
401.150 420.738
401.632 429.562
402.114 421.188
402.596 381.453
403.078 324.660
403.560 298.199
404.042 313.489
404.524 335.863
405.007 353.280
405.489 367.559
405.971 363.077
406.453 334.415
406.935 296.445
407.417 269.953
407.899 255.563
408.381 246.390
408.863 243.256
409.346 243.286
409.828 230.088
410.310 202.046
410.792 179.588
411.274 187.469
411.756 217.981
412.238 243.089
412.720 255.309
413.203 261.632
413.685 273.479
414.167 288.861
414.649 297.663
415.131 287.346
415.613 271.788
416.095 268.744
416.577 281.922
417.060 298.465
417.542 306.561
418.024 312.346
418.506 325.869
418.988 362.035
419.470 398.778
419.952 419.487
420.434 424.150
420.916 434.068
421.398 463.204
421.881 497.312
422.363 526.199
422.845 539.834
423.327 558.618
423.809 586.166
424.291 621.741
424.773 661.629
425.255 709.675
425.738 756.001
426.220 798.221
426.702 831.619
427.184 873.098
427.666 924.892
428.148 981.309
428.630 1035.966
429.112 1088.748
429.595 1139.537
430.077 1188.041
430.559 1236.543
431.041 1281.357
431.523 1323.065
432.005 1363.568
432.487 1407.885
432.969 1455.123
433.451 1491.725
433.934 1515.078
434.416 1527.613
434.898 1529.463
435.380 1521.853
435.862 1516.535
436.344 1522.241
436.826 1534.683
437.308 1550.493
437.790 1571.391
438.273 1578.596
438.755 1545.047
439.237 1486.415
439.719 1431.943
440.201 1395.268
440.683 1364.486
441.165 1331.558
441.647 1296.922
442.129 1263.513
442.612 1246.441
443.094 1223.160
443.576 1174.182
444.058 1078.194
444.540 989.995
445.022 931.443
445.504 889.139
445.987 838.068
446.469 752.649
446.951 678.750
447.433 632.914
447.915 620.273
448.397 604.719
448.879 585.083
449.361 564.596
449.843 542.384
450.326 515.017
450.808 497.285
451.290 494.765
451.772 502.873
452.254 501.471
452.736 487.381
453.218 474.510
453.700 470.790
454.182 476.523
454.665 488.500
455.147 508.761
455.629 530.760
456.111 542.816
456.593 547.695
457.075 561.167
457.557 595.418
458.039 637.460
458.522 664.317
459.004 677.705
459.486 687.975
459.968 701.670
460.450 717.008
460.932 729.649
461.414 737.152
461.896 747.293
462.379 769.209
462.861 797.106
463.343 819.467
463.825 835.746
464.307 842.247
464.789 833.025
465.271 807.484
465.753 784.923
466.235 762.830
466.717 747.317
467.200 742.999
467.682 767.473
468.164 780.884
468.646 779.944
469.128 766.461
469.610 744.602
470.092 704.609
470.574 673.103
471.057 665.269
471.539 687.139
472.021 688.167
472.503 653.759
472.985 621.878
473.467 590.054
473.949 575.576
474.431 556.116
474.914 532.886
475.396 494.627
475.878 475.880
476.360 451.089
476.842 432.538
477.324 419.353
477.806 409.944
478.288 398.071
478.770 380.292
479.253 363.718
479.735 359.462
480.217 362.295
480.699 361.326
481.181 349.215
481.663 334.643
482.145 318.392
482.627 301.778
483.109 294.572
483.592 310.762
484.074 330.051
484.556 340.025
485.038 336.132
485.520 328.044
486.002 307.909
486.484 286.247
486.966 279.672
487.448 300.437
487.931 317.174
488.413 322.447
488.895 316.675
489.377 306.095
489.859 288.069
490.341 272.042
490.823 267.300
491.306 274.610
491.788 277.337
492.270 272.767
492.752 265.520
493.234 266.245
493.716 273.256
494.198 273.149
494.680 251.722
495.162 221.633
495.645 206.466
496.127 205.648
496.609 207.330
497.091 204.530
497.573 198.229
498.055 189.810
498.537 180.717
499.019 167.467
499.501 139.159
499.984 106.012
500.466 88.171
500.948 109.490
501.430 131.754
501.912 142.722
502.394 141.528
502.876 128.652
503.358 86.387
503.841 45.590
504.323 28.815
504.805 56.984
505.287 65.924
505.769 42.151
506.251 2.104
506.733 13.797
507.215 0.445
507.698 14.216
508.180 14.228
508.662 2.535
509.144 6.193
509.626 12.075
510.108 13.724
510.590 4.227
511.072 11.393
511.554 15.139
512.036 0.542
512.519 20.267
513.001 25.643
513.483 20.959
513.965 17.634
514.447 23.463
514.929 31.208
515.411 34.108
515.893 31.884
516.375 34.425
516.858 21.994
517.340 0.999
517.822 10.596
518.304 5.617
518.786 1.771
519.268 13.657
519.750 26.442
520.232 32.734
520.715 26.784
521.197 23.763
521.679 31.056
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