#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:52:57 +0300 (Thu, 07 Jun 2018) $
#$Revision: 986 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000443.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_1000443
loop_
_publ_author_name
'Peacor D R'
'Rouse R C'
'Ahn J-H'
_publ_section_title
;
 Crystal structure of tiptopite, a framework beryllophosphate isotypic
 with basic cancrinite Note: U(1,2) for OH5 has been altered to match
 symmetry constraints.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              816
_journal_page_last               820
_journal_volume                  72
_journal_year                    1987
_chemical_compound_source        R050352
_chemical_formula_sum            'Be3 Ca0.36 H7.26 K Li1.44 Na0.84 O15.01 P3'
_chemical_name_mineral           Tiptopite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.655
_cell_length_b                   11.655
_cell_length_c                   4.692
_cell_volume                     551.967
_cod_original_formula_sum        'P3 Be3 O15.01 K Li1.44 Na.84 Ca.36 H7.26'
_cod_database_code               9001089
_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            R050352.rod
_rod_data_source.block           3500000
_rod_database.code               1000443
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 9001089 COD http://www.crystallography.net/cod/9001089.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
109.2276 0.0000000E+00
109.7097 6.123962
110.1918 2.403442
110.6740 0.8107300
111.1561 7.772949
111.6382 23.59052
112.1203 44.87750
112.6024 71.62854
113.0845 105.3405
113.5667 149.1405
114.0488 197.4597
114.5309 247.1667
115.0130 297.0834
115.4951 347.7679
115.9772 400.6921
116.4594 456.1274
116.9415 508.8943
117.4236 555.6273
117.9057 599.2651
118.3878 642.7263
118.8699 692.1305
119.3521 738.2854
119.8342 776.1588
120.3163 805.0468
120.7984 829.1361
121.2805 851.0109
121.7626 869.7617
122.2448 883.8589
122.7269 891.2593
123.2090 894.2661
123.6911 894.7866
124.1732 892.8132
124.6553 889.2075
125.1375 883.7295
125.6196 877.2899
126.1017 872.2604
126.5838 869.7467
127.0659 869.5216
127.5480 871.2482
128.0302 874.9061
128.5123 880.0643
128.9944 886.3196
129.4765 893.6315
129.9586 901.8373
130.4407 911.7657
130.9229 922.7871
131.4050 932.5476
131.8871 940.8497
132.3692 947.1980
132.8513 950.1772
133.3334 946.6646
133.8156 931.5220
134.2977 908.2947
134.7798 883.8679
135.2619 856.9835
135.7440 826.7827
136.2261 794.3164
136.7083 761.4276
137.1904 727.9257
137.6725 694.4315
138.1546 661.0444
138.6367 627.5638
139.1188 594.6676
139.6010 562.8030
140.0831 533.5747
140.5652 504.5854
141.0473 473.2075
141.5294 442.5591
142.0115 417.6763
142.4937 399.1095
142.9758 382.7051
143.4579 366.4376
143.9400 349.8765
144.4221 334.2704
144.9042 319.0099
145.3864 304.3588
145.8685 292.1008
146.3506 284.3925
146.8327 276.2628
147.3148 265.7498
147.7969 252.6053
148.2791 238.5273
148.7612 222.9391
149.2433 207.0446
149.7254 193.8608
150.2075 185.9235
150.6896 178.7244
151.1718 170.6742
151.6539 160.5381
152.1360 151.3759
152.6181 143.1400
153.1002 135.8876
153.5823 129.8278
154.0645 125.7269
154.5466 122.1877
155.0287 118.5782
155.5108 115.2109
155.9929 111.2287
156.4750 106.2753
156.9572 100.5181
157.4393 94.74951
157.9214 88.41663
158.4035 82.49060
158.8856 77.55945
159.3677 74.64270
159.8499 71.82654
160.3320 68.27502
160.8141 64.21136
161.2962 60.99207
161.7783 60.01801
162.2604 59.69354
162.7426 58.70172
163.2247 55.66595
163.7068 52.75537
164.1889 51.25702
164.6710 51.05933
165.1531 50.46002
165.6353 48.46875
166.1174 45.68951
166.5995 42.77643
167.0816 40.65961
167.5637 37.73389
168.0458 32.18439
168.5280 24.10706
169.0101 16.12213
169.4922 10.34552
169.9743 5.666077
170.4564 0.5698850
170.9385 6.287476
171.4207 13.41193
171.9028 19.75500
172.3849 25.27228
172.8670 29.61389
173.3491 32.40491
173.8312 33.87158
174.3134 34.43854
174.7955 33.47986
175.2776 32.08551
175.7597 31.74860
176.2418 32.65607
176.7239 33.57660
177.2061 33.18561
177.6882 31.85388
178.1703 30.61353
178.6524 30.08771
179.1345 29.92200
179.6166 29.63635
180.0988 29.24091
180.5809 28.49817
181.0630 26.84985
181.5451 24.50403
182.0272 22.38434
182.5093 21.45880
182.9915 21.06970
183.4736 19.62689
183.9557 16.94110
184.4378 13.48303
184.9199 9.412354
185.4020 4.929077
185.8842 0.7894290
186.3663 2.651245
186.8484 5.406250
187.3305 7.077515
187.8126 7.345093
188.2947 7.377686
188.7769 9.294434
189.2590 13.01538
189.7411 16.73828
190.2232 19.29749
190.7053 20.89868
191.1874 22.85901
191.6696 25.24268
192.1517 28.17139
192.6338 32.32007
193.1159 37.75342
193.5980 42.72717
194.0801 45.57495
194.5623 46.50916
195.0444 49.02563
195.5265 53.73279
196.0086 59.68591
196.4907 65.15442
196.9728 70.16345
197.4550 74.42847
197.9371 76.94250
198.4192 77.62769
198.9013 80.85327
199.3834 87.68420
199.8655 96.50769
200.3477 103.4075
200.8298 108.0044
201.3119 112.3217
201.7940 117.4285
202.2761 123.3101
202.7582 130.3199
203.2404 138.7673
203.7225 148.1810
204.2046 157.2366
204.6867 165.8500
205.1688 174.4973
205.6509 183.3156
206.1331 192.3389
206.6152 201.6516
207.0973 211.1312
207.5794 220.9775
208.0615 231.9098
208.5436 244.1721
209.0258 256.9321
209.5079 269.6713
209.9900 282.3651
210.4721 294.8643
210.9542 307.1650
211.4363 319.2400
211.9185 330.8920
212.4006 341.8490
212.8827 353.0481
213.3648 364.8962
213.8469 377.7924
214.3290 390.3989
214.8112 402.9055
215.2933 414.9283
215.7754 425.5616
216.2575 434.6859
216.7396 442.6588
217.2217 449.3260
217.7038 453.9557
218.1860 459.6176
218.6681 467.2882
219.1502 475.9872
219.6323 481.8739
220.1144 484.0480
220.5965 484.8838
221.0787 485.7241
221.5608 486.9510
222.0429 487.1676
222.5250 486.0872
223.0071 483.9811
223.4892 481.9391
223.9714 480.4814
224.4535 478.3029
224.9356 474.4810
225.4177 468.0864
225.8998 462.4690
226.3819 458.5095
226.8641 455.3345
227.3462 449.8889
227.8283 441.0610
228.3104 431.3037
228.7925 421.8557
229.2746 412.8938
229.7568 403.5919
230.2389 394.1842
230.7210 384.3948
231.2031 373.6216
231.6852 362.2900
232.1673 349.5990
232.6495 334.9139
233.1316 316.4122
233.6137 300.0986
234.0958 286.9260
234.5779 275.9221
235.0600 264.6323
235.5422 252.8037
236.0243 241.0610
236.5064 229.5471
236.9885 217.9786
237.4706 207.2782
237.9527 197.9706
238.4349 189.5187
238.9170 180.5908
239.3991 170.6936
239.8812 161.1416
240.3633 152.4420
240.8454 144.8433
241.3276 137.3258
241.8097 129.2430
242.2918 121.6924
242.7739 117.2308
243.2560 117.0702
243.7381 118.1763
244.2203 119.4657
244.7024 120.8643
245.1845 122.2451
245.6666 123.0093
246.1487 123.9683
246.6308 126.7421
247.1130 131.4677
247.5951 137.7777
248.0772 145.6503
248.5593 155.4567
249.0414 165.4685
249.5235 174.9231
250.0057 185.0365
250.4878 198.2097
250.9699 215.7219
251.4520 234.0679
251.9341 251.8256
252.4162 268.6721
252.8984 286.9802
253.3805 306.9258
253.8626 328.3772
254.3447 350.4213
254.8268 372.8662
255.3089 396.9388
255.7911 422.7434
256.2732 450.4110
256.7553 479.7916
257.2374 511.6587
257.7195 544.6145
258.2017 576.9182
258.6838 608.4209
259.1659 640.2952
259.6480 673.0343
260.1301 706.3370
260.6122 740.9609
261.0944 777.5846
261.5765 814.8584
262.0586 851.3616
262.5407 886.3883
263.0228 922.3569
263.5049 959.4514
263.9871 997.9773
264.4692 1037.177
264.9513 1077.632
265.4334 1118.391
265.9155 1159.523
266.3976 1200.473
266.8798 1241.135
267.3619 1280.869
267.8440 1320.151
268.3261 1360.363
268.8082 1402.242
269.2903 1443.323
269.7725 1481.344
270.2546 1515.586
270.7367 1548.064
271.2188 1579.242
271.7009 1608.473
272.1830 1633.879
272.6652 1655.408
273.1473 1672.685
273.6294 1686.510
274.1115 1697.587
274.5936 1700.120
275.0757 1693.357
275.5579 1677.889
276.0400 1655.823
276.5221 1627.428
277.0042 1591.261
277.4863 1546.035
277.9684 1491.539
278.4506 1430.152
278.9327 1360.610
279.4148 1286.097
279.8969 1212.389
280.3790 1139.306
280.8611 1068.478
281.3433 1000.701
281.8254 935.7141
282.3075 873.3091
282.7896 812.7040
283.2717 755.4714
283.7538 704.2771
284.2360 659.1935
284.7181 618.2744
285.2002 580.3156
285.6823 545.5459
286.1644 516.1978
286.6465 492.7673
287.1287 473.9215
287.6108 458.3340
288.0929 445.9941
288.5750 436.9948
289.0571 431.5474
289.5392 429.4500
290.0214 430.4113
290.5035 434.5636
290.9856 440.5366
291.4677 447.1572
291.9498 454.4655
292.4319 462.5498
292.9141 472.0651
293.3962 482.1107
293.8783 490.5275
294.3604 497.2771
294.8425 503.3058
295.3246 510.6183
295.8068 518.1647
296.2889 522.0367
296.7710 520.3191
297.2531 515.7485
297.7352 513.0088
298.2173 511.8585
298.6995 510.0325
299.1816 506.3832
299.6637 500.8290
300.1458 493.4529
300.6279 484.4053
301.1100 473.0087
301.5922 457.5884
302.0743 438.8182
302.5564 419.5768
303.0385 401.4532
303.5206 383.8109
304.0027 365.3857
304.4849 346.2008
304.9670 326.2003
305.4491 305.4777
305.9312 284.1168
306.4133 262.3108
306.8954 239.5625
307.3776 216.7297
307.8597 194.9865
308.3418 174.2502
308.8239 154.6742
309.3060 136.5497
309.7881 119.7655
310.2703 104.3983
310.7524 90.75073
311.2345 77.99475
311.7166 65.48694
312.1987 53.17639
312.6808 42.01672
313.1630 32.53003
313.6451 24.40088
314.1272 17.22241
314.6093 10.94128
315.0914 5.406616
315.5735 0.5740970
316.0557 3.526611
316.5378 6.742676
317.0199 8.846313
317.5020 10.06055
317.9841 10.65210
318.4662 10.89526
318.9484 9.946655
319.4305 7.014587
319.9126 2.730347
320.3947 1.385315
320.8768 4.360596
321.3589 7.367981
321.8411 10.89911
322.3232 14.97052
322.8053 20.08447
323.2874 26.46381
323.7695 33.87653
324.2516 41.97992
324.7338 51.03027
325.2159 60.28186
325.6980 69.41650
326.1801 78.35144
326.6622 87.79272
327.1443 97.62634
327.6265 108.2612
328.1086 120.1059
328.5907 133.1865
329.0728 147.2845
329.5549 162.8945
330.0370 180.1384
330.5192 196.3844
331.0013 211.1072
331.4834 225.4127
331.9655 240.2206
332.4476 256.0270
332.9297 271.5753
333.4119 286.5879
333.8940 301.1876
334.3761 315.7881
334.8582 330.2484
335.3403 344.4545
335.8224 358.2551
336.3046 371.5734
336.7867 384.7352
337.2688 397.7634
337.7509 410.6809
338.2330 423.8717
338.7151 437.3636
339.1973 450.7736
339.6794 463.8146
340.1615 476.3204
340.6436 490.2332
341.1257 505.5984
341.6078 522.0437
342.0899 539.5953
342.5721 558.1337
343.0542 575.9551
343.5363 591.9273
344.0184 606.6744
344.5005 623.9318
344.9826 643.9783
345.4648 663.6186
345.9469 680.4398
346.4290 694.5069
346.9111 704.6796
347.3932 710.3325
347.8753 712.6708
348.3575 715.0245
348.8396 717.0002
349.3217 714.1363
349.8038 702.0178
350.2859 682.8464
350.7680 661.6324
351.2502 638.7333
351.7323 614.6862
352.2144 590.6925
352.6965 566.0692
353.1786 539.4831
353.6607 508.8188
354.1429 476.4855
354.6250 445.2318
355.1071 415.1979
355.5892 386.2065
356.0713 358.2327
356.5534 331.2092
357.0356 305.0320
357.5177 279.9370
357.9998 255.3241
358.4819 230.7872
358.9640 206.5043
359.4461 184.1621
359.9283 165.0528
360.4104 148.0223
360.8925 132.1953
361.3746 117.7234
361.8567 103.7920
362.3388 89.71967
362.8210 75.98859
363.3031 63.34497
363.7852 51.51508
364.2673 41.24274
364.7494 33.34723
365.2315 28.75079
365.7137 23.38397
366.1958 15.42957
366.6779 6.721802
367.1600 0.6670530
367.6421 5.967834
368.1242 10.48987
368.6064 14.61060
369.0885 18.37012
369.5706 20.89868
370.0527 21.22229
370.5348 21.08313
371.0169 21.68140
371.4991 23.89233
371.9812 25.29559
372.4633 25.46112
372.9454 24.71307
373.4275 24.13922
373.9096 23.66888
374.3918 23.55219
374.8739 23.90582
375.3560 24.79486
375.8381 25.99512
376.3202 27.84509
376.8023 29.52136
377.2845 29.68213
377.7666 28.16675
378.2487 25.92780
378.7308 22.95660
379.2129 19.46747
379.6950 17.34155
380.1772 16.77856
380.6593 16.49133
381.1414 15.50592
381.6235 13.81610
382.1056 11.17255
382.5877 7.266479
383.0699 2.749390
383.5520 1.313843
384.0341 4.954773
384.5162 8.089844
384.9983 10.01654
385.4804 11.51917
385.9626 14.57086
386.4447 19.59833
386.9268 24.91669
387.4089 28.70618
387.8910 31.48328
388.3731 34.32355
388.8553 37.71295
389.3374 41.38708
389.8195 45.03638
390.3016 48.62274
390.7837 52.42847
391.2658 56.28906
391.7480 60.55829
392.2301 65.69867
392.7122 72.73315
393.1943 79.43420
393.6764 84.05023
394.1585 87.40387
394.6407 91.71661
395.1228 98.79456
395.6049 106.2400
396.0870 112.7769
396.5691 117.7272
397.0512 123.4039
397.5334 130.1053
398.0155 137.8480
398.4976 146.5466
398.9797 157.9967
399.4618 168.5225
399.9439 176.8281
400.4261 182.9155
400.9082 190.4780
401.3903 200.5594
401.8724 211.0917
402.3545 220.6971
402.8366 228.3815
403.3188 237.0581
403.8009 246.9778
404.2830 257.9369
404.7651 269.3951
405.2472 281.0446
405.7293 293.7595
406.2115 308.3128
406.6936 324.6545
407.1757 339.9829
407.6578 353.9069
408.1399 368.0133
408.6220 384.5045
409.1042 403.3433
409.5863 422.7791
410.0684 442.7866
410.5505 462.7249
411.0326 481.7302
411.5147 499.9286
411.9969 518.4760
412.4790 538.4274
412.9611 559.5961
413.4432 581.5521
413.9253 604.8591
414.4074 627.4636
414.8896 647.1525
415.3717 664.5250
415.8538 680.8297
416.3359 697.1364
416.8180 712.2004
417.3001 725.0284
417.7823 735.7051
418.2644 743.2565
418.7465 747.4619
419.2286 748.3564
419.7107 745.9570
420.1928 740.2962
420.6750 731.2470
421.1571 718.3770
421.6392 701.9924
422.1213 683.1870
422.6034 661.0549
423.0855 637.6775
423.5677 613.6663
424.0498 589.2905
424.5319 563.7325
425.0140 535.4781
425.4961 506.3348
425.9782 477.9226
426.4604 449.3160
426.9425 422.9645
427.4246 399.8711
427.9067 379.6408
428.3888 359.6976
428.8709 339.4595
429.3531 320.3618
429.8352 303.2495
430.3173 288.6995
430.7994 274.6282
431.2815 260.7861
431.7636 247.6713
432.2458 236.8177
432.7279 228.3602
433.2100 219.0576
433.6921 206.8695
434.1742 192.9906
434.6563 182.5642
435.1385 175.6683
435.6206 169.8125
436.1027 163.2015
436.5848 155.9838
437.0669 148.3400
437.5490 139.9867
438.0312 131.6045
438.5133 123.5835
438.9954 116.1699
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