#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:16:53 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1056 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000504.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_1000504
loop_
_publ_author_name
'Bonazzi, P.'
'Mazzi, F.'
_publ_section_title
;
 Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and
 hydrogen-bond model Sample: BS2, synthetic Note: U(1,2) for Sb1 and Sb3
 changed to match symmetry constraints.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1494
_journal_page_last               1500
_journal_volume                  81
_journal_year                    1996
_chemical_compound_source        R060263
_chemical_formula_sum            'Ni O18 Sb2'
_chemical_name_mineral           Bottinoite
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   16.060
_cell_length_b                   16.060
_cell_length_c                   9.792
_cell_volume                     2187.223
_exptl_crystal_density_diffrn    2.688
_cod_original_formula_sum        'Sb2 Ni O18'
_cod_database_code               9001785
_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            R060263.rod
_rod_data_source.block           3500000
_rod_database.code               1000504
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 9001785 COD http://www.crystallography.net/cod/9001785.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
90.49219 0.0000000E+00
90.97430 0.2888070
91.45642 0.1860320
91.93854 0.7292560
92.42065 2.237007
92.90277 3.218840
93.38489 3.445292
93.86700 3.453753
94.34912 3.630865
94.83124 3.952944
95.31335 4.590498
95.79547 5.945477
96.27759 7.853536
96.75970 9.404442
97.24182 10.30401
97.72394 10.78290
98.20605 11.57182
98.68817 12.66928
99.17029 14.01214
99.65240 15.78979
100.1345 18.11011
100.6166 20.17295
101.0988 21.92676
101.5809 23.46839
102.0630 24.64703
102.5451 25.20849
103.0272 25.59046
103.5093 26.33421
103.9915 27.81876
104.4736 29.29834
104.9557 30.65932
105.4378 32.21459
105.9199 33.42986
106.4020 33.78780
106.8842 33.25899
107.3663 32.57669
107.8484 32.49550
108.3305 33.31429
108.8126 34.44174
109.2947 35.19289
109.7769 36.96378
110.2590 40.87040
110.7411 46.30380
111.2232 51.49000
111.7053 55.55740
112.1874 59.21919
112.6696 62.32334
113.1517 66.30247
113.6338 69.04448
114.1159 68.87897
114.5980 65.33894
115.0801 61.71985
115.5623 60.15134
116.0444 59.13886
116.5265 57.37759
117.0086 53.34828
117.4907 49.55347
117.9728 47.23528
118.4550 46.47504
118.9371 45.44331
119.4192 43.24616
119.9013 40.35493
120.3834 37.33944
120.8655 33.33535
121.3477 29.98212
121.8298 28.83959
122.3119 30.37570
122.7940 32.15209
123.2761 33.34903
123.7582 33.57010
124.2404 31.93432
124.7225 26.23870
125.2046 19.00797
125.6867 13.40151
126.1688 10.03174
126.6509 7.909607
127.1331 6.402321
127.6152 5.393806
128.0973 4.310452
128.5794 2.666415
129.0615 0.6517310
129.5436 1.300307
130.0258 3.139893
130.5079 4.828721
130.9900 6.280525
131.4721 7.502203
131.9542 8.543304
132.4363 9.565825
132.9185 10.51149
133.4006 10.94351
133.8827 10.52200
134.3648 9.549921
134.8469 9.024628
135.3290 9.046089
135.8112 9.064838
136.2933 8.714443
136.7754 8.026634
137.2575 6.371906
137.7396 3.318954
138.2217 1.010235
138.7039 5.645321
139.1860 10.78999
139.6681 15.92422
140.1502 20.33504
140.6323 23.77381
141.1144 27.10233
141.5966 30.90928
142.0787 35.59391
142.5608 38.65430
143.0429 39.39133
143.5250 38.90580
144.0071 39.72636
144.4893 42.41492
144.9714 45.45973
145.4535 47.99307
145.9356 49.11009
146.4177 51.70464
146.8998 56.60321
147.3820 63.11905
147.8641 68.70046
148.3462 73.35033
148.8283 77.64470
149.3104 82.36369
149.7925 87.77543
150.2747 93.23777
150.7568 98.65316
151.2389 104.0194
151.7210 109.3076
152.2031 115.6129
152.6852 121.1165
153.1674 124.7680
153.6495 123.8696
154.1316 123.8344
154.6137 126.0555
155.0958 130.6029
155.5779 133.9565
156.0601 134.8190
156.5422 134.7253
157.0243 134.9554
157.5064 135.6377
157.9885 136.7572
158.4706 138.3958
158.9528 140.5966
159.4349 142.9212
159.9170 145.4457
160.3991 147.9787
160.8812 150.3007
161.3633 152.2141
161.8455 154.0126
162.3276 155.4929
162.8097 156.2847
163.2918 158.3281
163.7739 162.9795
164.2560 168.9299
164.7382 172.6195
165.2203 175.9266
165.7024 178.6316
166.1845 179.9875
166.6666 179.5988
167.1487 178.9957
167.6309 178.9452
168.1130 179.3131
168.5951 179.7822
169.0772 180.2887
169.5593 180.7913
170.0414 181.3784
170.5236 182.3423
171.0057 182.7939
171.4878 181.7130
171.9699 179.5280
172.4520 177.5228
172.9341 176.8193
173.4163 176.5677
173.8984 175.7054
174.3805 173.7510
174.8626 171.5303
175.3447 169.6327
175.8268 168.0846
176.3090 167.0357
176.7911 167.2363
177.2732 167.8603
177.7553 167.4590
178.2374 165.1145
178.7195 162.2101
179.2017 160.7132
179.6838 160.5086
180.1659 160.2957
180.6480 158.7741
181.1301 156.4555
181.6122 154.5308
182.0944 153.2319
182.5765 152.5134
183.0586 152.7429
183.5407 153.8652
184.0228 154.7430
184.5049 153.9056
184.9871 151.8512
185.4692 150.2977
185.9513 150.0674
186.4334 150.5521
186.9155 150.2482
187.3976 149.0454
187.8798 147.8724
188.3619 147.9542
188.8440 149.1051
189.3261 149.8373
189.8082 149.3097
190.2903 148.0148
190.7725 147.9602
191.2546 149.4020
191.7367 151.1908
192.2188 151.9601
192.7009 151.7693
193.1830 151.6168
193.6652 152.1086
194.1473 153.0908
194.6294 153.1424
195.1115 152.1565
195.5936 150.9570
196.0757 150.4922
196.5579 150.6271
197.0400 151.1353
197.5221 152.4713
198.0042 154.4173
198.4863 154.0967
198.9684 150.9311
199.4506 146.7699
199.9327 144.1457
200.4148 143.0776
200.8969 143.1982
201.3790 145.1966
201.8611 149.1968
202.3433 150.6115
202.8254 148.8843
203.3075 145.4582
203.7896 142.5233
204.2717 140.0159
204.7538 138.3496
205.2360 137.9121
205.7181 138.8186
206.2002 139.5020
206.6823 139.8824
207.1644 140.0937
207.6465 140.3162
208.1287 140.4370
208.6108 140.8965
209.0929 142.0533
209.5750 144.1483
210.0571 145.7206
210.5392 146.5670
211.0214 146.9083
211.5035 147.2335
211.9856 147.4335
212.4677 147.9095
212.9498 148.9188
213.4319 150.5878
213.9140 152.4604
214.3962 154.5316
214.8783 156.7466
215.3604 159.0236
215.8425 161.5480
216.3246 163.4061
216.8067 164.2037
217.2889 163.7358
217.7710 163.6436
218.2531 164.0680
218.7352 164.7995
219.2173 165.2883
219.6994 165.1503
220.1816 165.5074
220.6637 167.0577
221.1458 170.4199
221.6279 173.1948
222.1100 175.1748
222.5921 176.6462
223.0743 178.5256
223.5564 181.1321
224.0385 183.5787
224.5206 185.2592
225.0027 185.7083
225.4848 186.8030
225.9670 188.6523
226.4491 191.1160
226.9312 193.9404
227.4133 197.2073
227.8954 200.6642
228.3775 204.1218
228.8597 207.7681
229.3418 211.0906
229.8239 213.8530
230.3060 216.3372
230.7881 219.3024
231.2702 223.3547
231.7524 227.0162
232.2345 229.4738
232.7166 230.1739
233.1987 231.0608
233.6808 232.0822
234.1629 233.2968
234.6451 235.1966
235.1272 239.1967
235.6093 241.7671
236.0914 241.0444
236.5735 235.0409
237.0556 230.4833
237.5378 228.4629
238.0199 227.6022
238.5020 224.3086
238.9841 217.5062
239.4662 209.8574
239.9483 202.4928
240.4305 195.9662
240.9126 188.5027
241.3947 179.6436
241.8768 169.9766
242.3589 160.9139
242.8410 152.4776
243.3232 144.5893
243.8053 137.2071
244.2874 130.0488
244.7695 124.0244
245.2516 119.1105
245.7337 115.2992
246.2159 112.7231
246.6980 112.1317
247.1801 111.6030
247.6622 110.2368
248.1443 107.3056
248.6264 105.6767
249.1086 105.8670
249.5907 107.1079
250.0728 107.8531
250.5549 108.0308
251.0370 107.8346
251.5191 107.3594
252.0013 106.6688
252.4834 105.5057
252.9655 104.1679
253.4476 102.1696
253.9297 98.38684
254.4118 91.87793
254.8940 85.39276
255.3761 80.12469
255.8582 76.68427
256.3403 71.87411
256.8224 65.31604
257.3046 57.68774
257.7867 50.07327
258.2688 42.07111
258.7509 34.84692
259.2330 29.05069
259.7151 24.98077
260.1973 20.39417
260.6794 15.10916
261.1615 9.572510
261.6436 4.478790
262.1257 0.2544860
262.6078 4.425415
263.0900 7.902466
263.5721 10.67197
264.0542 13.12024
264.5363 15.22873
265.0184 17.07196
265.5005 18.76883
265.9827 20.31479
266.4648 21.76392
266.9469 23.33301
267.4290 25.05716
267.9111 25.50180
268.3932 24.34924
268.8754 22.41714
269.3575 20.49139
269.8396 18.42245
270.3217 16.83044
270.8038 16.08160
271.2859 16.08414
271.7681 15.52530
272.2502 14.57791
272.7323 12.70972
273.2144 9.013062
273.6965 2.978516
274.1786 2.133667
274.6608 5.129272
275.1429 6.509521
275.6250 10.07367
276.1071 16.04895
276.5892 23.52411
277.0714 31.79492
277.5535 41.01050
278.0356 50.00732
278.5177 58.36536
278.9998 66.39880
279.4819 75.33484
279.9641 85.31122
280.4462 96.04346
280.9283 107.7339
281.4104 120.3290
281.8925 132.3190
282.3746 143.2988
282.8568 153.6581
283.3389 164.1920
283.8210 174.7918
284.3031 186.3877
284.7852 199.9388
285.2673 215.2329
285.7495 230.7203
286.2316 245.9615
286.7137 261.6196
287.1958 279.5482
287.6779 299.8087
288.1600 320.0645
288.6422 338.2979
289.1243 355.0969
289.6064 373.6186
290.0885 394.8557
290.5706 416.6772
291.0527 435.3469
291.5349 451.0546
292.0170 466.5870
292.4991 483.2618
292.9812 500.9789
293.4633 518.6592
293.9454 536.3160
294.4276 554.2181
294.9097 572.2115
295.3918 590.4814
295.8739 609.6907
296.3560 630.4062
296.8381 652.2095
297.3203 673.4370
297.8024 693.8632
298.2845 714.5547
298.7666 736.8286
299.2487 760.1471
299.7308 783.5819
300.2130 808.1323
300.6951 832.0391
301.1772 853.2466
301.6593 871.6946
302.1414 886.3577
302.6235 895.4776
303.1057 900.0857
303.5878 901.9894
304.0699 901.6927
304.5520 899.1531
305.0341 893.6992
305.5162 885.5865
305.9984 876.6772
306.4805 867.5021
306.9626 858.6043
307.4447 850.8908
307.9268 844.4776
308.4089 839.3115
308.8911 834.9906
309.3732 831.7149
309.8553 830.3533
310.3374 832.4495
310.8195 836.2183
311.3016 839.8339
311.7838 842.6619
312.2659 845.8151
312.7480 850.0494
313.2301 855.1411
313.7122 860.6010
314.1943 867.1711
314.6765 873.4956
315.1586 878.6434
315.6407 882.3829
316.1228 885.3066
316.6049 886.7512
317.0870 887.6632
317.5692 889.5596
318.0513 895.1167
318.5334 900.0408
319.0155 901.4280
319.4976 898.3688
319.9797 896.6033
320.4619 898.9608
320.9440 903.2463
321.4261 906.9563
321.9082 909.1453
322.3903 911.0454
322.8724 913.2465
323.3546 915.7936
323.8367 917.4890
324.3188 916.1989
324.8009 915.0565
325.2830 916.4458
325.7651 922.6053
326.2473 929.4318
326.7294 936.5388
327.2115 943.9461
327.6936 951.7849
328.1757 958.8558
328.6578 967.0996
329.1400 977.5323
329.6221 992.1428
330.1042 1006.169
330.5863 1019.577
331.0684 1032.523
331.5505 1045.099
332.0327 1057.066
332.5148 1068.712
332.9969 1080.433
333.4790 1092.627
333.9611 1103.136
334.4432 1112.131
334.9254 1119.329
335.4075 1124.251
335.8896 1127.139
336.3717 1127.328
336.8538 1124.363
337.3359 1118.053
337.8180 1110.709
338.3001 1102.541
338.7823 1093.028
339.2644 1082.220
339.7465 1070.631
340.2286 1055.109
340.7107 1033.933
341.1928 1007.825
341.6750 984.5533
342.1571 964.4877
342.6392 944.5741
343.1213 921.3199
343.6034 894.8467
344.0855 869.8510
344.5677 847.7008
345.0498 827.0994
345.5319 805.4202
346.0140 782.6251
346.4961 759.8809
346.9782 737.7304
347.4604 716.1052
347.9425 695.8874
348.4246 677.1613
348.9067 659.2433
349.3888 640.8553
349.8709 622.2004
350.3531 604.3493
350.8352 588.2839
351.3173 573.3712
351.7994 557.8860
352.2815 541.7550
352.7636 526.2274
353.2458 513.2406
353.7279 501.7478
354.2100 489.4465
354.6921 473.7318
355.1742 458.0016
355.6563 446.3849
356.1385 438.5660
356.6206 430.7520
357.1027 420.9496
357.5848 409.4927
358.0669 396.3616
358.5490 379.9559
359.0312 364.3212
359.5133 352.3801
359.9954 343.3107
360.4775 334.3825
360.9596 324.3696
361.4417 314.0059
361.9239 303.5131
362.4060 292.6134
362.8881 282.5263
363.3702 274.4483
363.8523 267.3307
364.3344 259.5667
364.8166 249.6912
365.2987 239.9258
365.7808 231.4633
366.2629 224.4349
366.7450 217.2661
367.2271 209.7545
367.7093 201.9919
368.1914 194.0667
368.6735 185.5652
369.1556 177.3549
369.6377 169.8620
370.1198 162.9183
370.6020 155.7386
371.0841 147.8444
371.5662 140.1405
372.0483 133.3047
372.5304 128.3809
373.0125 122.1773
373.4947 113.9880
373.9768 104.7499
374.4589 96.52905
374.9410 89.41339
375.4231 83.11407
375.9052 77.50800
376.3874 72.59808
376.8695 68.34833
377.3516 65.00537
377.8337 61.80267
378.3158 57.45404
378.7979 51.74377
379.2801 46.49878
379.7622 42.28955
380.2443 38.88519
380.7264 34.86499
381.2085 30.12213
381.6906 25.73730
382.1728 22.88397
382.6549 21.31439
383.1370 19.63202
383.6191 17.46344
384.1012 15.07343
384.5833 13.01587
385.0655 11.26508
385.5476 9.285583
386.0297 6.234009
386.5118 2.792664
386.9939 5.9264999E-02
387.4760 1.880859
387.9582 3.085327
388.4403 3.056152
388.9224 2.331360
389.4045 2.068542
389.8866 3.228943
390.3687 4.765625
390.8509 5.842712
391.3330 6.517944
391.8151 7.007568
392.2972 7.309875
392.7793 7.450745
393.2614 7.470886
393.7436 7.199890
394.2257 7.053711
394.7078 7.504333
395.1899 8.292542
395.6720 8.614288
396.1541 7.745911
396.6363 6.618561
397.1184 5.735077
397.6005 5.304565
398.0826 4.775726
398.5647 4.194580
399.0468 3.387634
399.5290 2.204559
400.0111 8.2001001E-02
400.4932 1.913300
400.9753 2.915405
401.4574 3.127930
401.9395 3.655334
402.4217 4.589264
402.9038 5.738037
403.3859 6.866211
403.8680 7.636292
404.3501 9.116058
404.8322 11.75052
405.3144 14.93286
405.7965 16.83475
406.2786 17.01144
406.7607 17.52609
407.2428 19.55243
407.7249 23.15143
408.2071 25.82553
408.6892 27.37396
409.1713 28.57697
409.6534 30.65732
410.1355 33.53745
410.6176 35.65500
411.0998 36.21771
411.5819 35.93762
412.0640 36.72522
412.5461 38.54456
413.0282 40.11099
413.5103 39.97534
413.9925 38.95215
414.4746 38.78076
414.9567 39.83521
415.4388 41.21021
415.9209 42.11694
416.4030 42.66150
416.8852 43.00589
417.3673 43.63312
417.8494 43.83252
418.3315 42.70297
418.8136 40.20929
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