#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:01:52 +0300 (Thu, 26 Apr 2018) $
#$Revision: 614 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000152.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_1000152
loop_
_publ_author_name
'Bojar, H. P.'
'Walter, F.'
'Baumgartner, J.'
'Farber, G.'
_publ_section_title
;
 Ammineite, CuCl2(NH3)2, a new species containing an ammine complex:
 Mineral data and crystal structure Note: T = 100 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1359
_journal_page_last               1371
_journal_paper_doi               10.3749/canmin.48.5.1359
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source
'Calleta Pabellon de Pica, Tarapaca region, Chile'
_chemical_formula_sum            'Cl2 Cu H6 N2'
_chemical_name_mineral           Ammineite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.688
_cell_length_b                   10.645
_cell_length_c                   5.736
_cell_volume                     469.427
_exptl_crystal_density_diffrn    2.384
_cod_original_formula_sum        'Cu Cl2 N2 H6'
_cod_database_code               9015768
_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            R120154.rod
_rod_data_source.block           3500000
_rod_database.code               1000152
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 9015768 COD http://www.crystallography.net/cod/9015768.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
145.7649 0.0000000E+00
147.6934 2.8500000E-02
149.6218 6.5300003E-02
151.5503 0.1371420
153.4788 0.7369000
155.4072 1.751785
157.3357 3.161831
159.2642 5.117275
161.1926 7.695518
163.1211 10.72153
165.0496 14.44352
166.9780 18.35782
168.9065 22.47275
170.8350 26.55201
172.7634 29.70124
174.6919 32.09925
176.6204 33.01868
178.5488 31.92670
180.4773 29.97751
182.4058 27.15485
184.3342 24.09315
186.2627 21.86486
188.1912 20.56644
190.1196 19.97439
192.0481 20.23358
193.9766 20.88516
195.9050 21.98363
197.8335 23.27970
199.7620 24.44222
201.6904 25.45935
203.6189 26.88098
205.5474 28.37693
207.4758 30.98630
209.4043 35.05322
211.3328 40.31581
213.2612 46.67496
215.1897 54.08540
217.1182 62.57823
219.0466 72.34982
220.9751 82.23808
222.9036 95.08347
224.8320 102.5648
226.7605 101.8105
228.6890 94.32107
230.6174 80.19626
232.5459 59.56512
234.4744 42.43504
236.4028 29.31332
238.3313 19.34258
240.2598 13.34798
242.1882 9.455107
244.1167 6.946335
246.0452 5.470581
247.9736 4.410158
249.9021 3.777020
251.8306 3.175447
253.7590 2.623238
255.6875 2.116528
257.6160 1.650232
259.5444 1.278461
261.4729 1.116297
263.4014 1.106476
265.3298 0.9810620
267.2583 0.6876140
269.1868 0.4427170
271.1152 0.3038620
273.0437 0.2192360
274.9722 0.1913240
276.9006 0.1918300
278.8291 0.1658840
280.7576 0.1166990
282.6860 9.2981003E-02
284.6145 9.8569997E-02
286.5430 0.1352600
288.4714 0.2530270
290.3999 0.3509460
292.3284 0.3600880
294.2568 0.2966860
296.1853 0.1631850
298.1138 7.4785002E-02
300.0422 0.1338600
301.9707 0.2648370
303.8992 0.4991910
305.8276 0.2592200
307.7561 3.5597000E-02
309.6846 9.7241998E-02
311.6130 0.4216840
313.5415 0.3475190
315.4700 0.3170760
317.3984 0.6962970
319.3269 0.5357670
321.2554 0.3831790
323.1838 0.4160560
325.1123 0.4896890
327.0408 0.4843080
328.9692 0.4177090
330.8977 0.3321720
332.8262 0.1656230
334.7546 0.1508310
336.6831 0.3766780
338.6116 0.6117230
340.5400 0.8722040
342.4685 1.031048
344.3970 0.9626770
346.3254 0.7369420
348.2539 0.5649090
350.1824 0.4767280
352.1108 0.3376790
354.0393 7.5722001E-02
355.9678 9.7627997E-02
357.8962 1.7591000E-02
359.8247 6.0217001E-02
361.7532 2.0276999E-02
363.6816 0.2276920
365.6101 0.5189190
367.5386 0.9257430
369.4670 1.267014
371.3955 1.499462
373.3240 1.795851
375.2524 2.196331
377.1809 2.787344
379.1094 3.453960
381.0378 4.218691
382.9663 5.025539
384.8948 6.406828
386.8232 7.351170
388.7517 9.552307
390.6802 11.67888
392.6086 13.58988
394.5371 15.34240
396.4656 16.81089
398.3940 18.28169
400.3225 19.77722
402.2510 21.49522
404.1794 24.35869
406.1079 28.34199
408.0364 32.85595
409.9648 37.84172
411.8933 43.33413
413.8218 50.15959
415.7502 56.56848
417.6787 63.48851
419.6072 68.41445
421.5356 66.04283
423.4641 57.29360
425.3926 46.72588
427.3210 33.87599
429.2495 23.28665
431.1780 16.50005
433.1064 11.56174
435.0349 8.414749
436.9634 6.360033
438.8918 5.125538
440.8203 4.462702
442.7488 3.760536
444.6772 3.039545
446.6057 2.613283
448.5342 2.649200
450.4626 2.603235
452.3911 2.256407
454.3196 1.973453
456.2480 1.978711
458.1765 2.041903
460.1050 1.898232
462.0334 1.651254
463.9619 1.508824
465.8904 1.477181
467.8188 1.502711
469.7473 1.645788
471.6758 1.720044
473.6042 1.676188
475.5327 1.597914
477.4612 1.465113
479.3896 1.358636
481.3181 1.394026
483.2466 1.499239
485.1750 1.517353
487.1035 1.437319
489.0320 1.382533
490.9604 1.404518
492.8889 1.377877
494.8174 1.254601
496.7458 1.145946
498.6743 1.058473
500.6028 1.029053
502.5313 1.156943
504.4597 1.325872
506.3882 1.290646
508.3167 1.054953
510.2451 0.9851010
512.1736 1.182371
514.1021 1.291370
516.0305 1.249854
517.9590 1.250395
519.8875 1.462378
521.8159 1.574833
523.7444 1.248365
525.6729 0.8477840
527.6013 0.7834220
529.5298 0.9783710
531.4583 1.210320
533.3867 1.529578
535.3152 1.658114
537.2437 1.552198
539.1721 1.365801
541.1006 1.058159
543.0291 0.8870500
544.9575 1.126677
546.8860 1.312918
548.8145 1.129881
550.7429 0.8106140
552.6714 0.6343360
554.5999 0.5751740
556.5283 0.5723730
558.4568 0.6317910
560.3853 0.6286950
562.3137 0.5360650
564.2422 0.4747980
566.1707 0.4837810
568.0991 0.4685220
570.0276 0.3986410
571.9561 0.2951760
573.8845 0.1232530
575.8130 1.5148000E-02
577.7415 4.9217001E-02
579.6699 0.2619060
581.5984 0.4644780
583.5269 0.6505490
585.4553 0.6259100
587.3838 0.2889480
589.3123 0.1171670
591.2407 0.3542120
593.1692 0.5271760
595.0977 0.4335380
597.0261 0.3445430
598.9546 0.4714620
600.8831 0.6196230
602.8115 0.4892410
604.7400 0.2696420
606.6685 0.3512330
608.5969 0.6830270
610.5254 1.035744
612.4539 1.412668
614.3823 1.633814
616.3108 1.612201
618.2393 1.565724
620.1677 1.449163
622.0962 1.420094
624.0247 1.550697
625.9531 1.759694
627.8816 1.985311
629.8101 2.270656
631.7385 2.743763
633.6670 3.273869
635.5955 3.574929
637.5239 3.661162
639.4524 3.745324
641.3809 3.775907
643.3093 4.016340
645.2378 4.682077
647.1663 5.191622
649.0947 5.456226
651.0232 5.640305
652.9517 5.604099
654.8801 5.745077
656.8086 6.386642
658.7371 7.218466
660.6655 7.942856
662.5940 8.688499
664.5225 9.767990
666.4509 11.08108
668.3794 12.13833
670.3079 12.96460
672.2363 13.27390
674.1648 13.02514
676.0933 12.45409
678.0217 11.54941
679.9502 10.36871
681.8787 8.691744
683.8071 7.234402
685.7356 6.390598
687.6641 5.735312
689.5925 5.011166
691.5210 4.371377
693.4495 4.064997
695.3779 3.870695
697.3064 3.315047
699.2349 2.548130
701.1633 2.202419
703.0918 2.270523
705.0203 2.270344
706.9487 2.196489
708.8772 2.185675
710.8057 2.295938
712.7341 2.206840
714.6626 1.715738
716.5911 1.369899
718.5195 1.390980
720.4480 1.528887
722.3765 1.858373
724.3049 2.070429
726.2334 1.826072
728.1619 1.498561
730.0903 1.507227
732.0188 1.683292
733.9473 1.762146
735.8757 1.760775
737.8042 1.713579
739.7327 1.634134
741.6611 1.598934
743.5896 1.612499
745.5181 1.659740
747.4465 1.758957
749.3750 1.774111
751.3035 1.615412
753.2319 1.529001
755.1604 1.582293
757.0889 1.660858
759.0173 1.789803
760.9458 1.869179
762.8743 1.809139
764.8027 1.737644
766.7312 1.743698
768.6597 1.779858
770.5881 1.806314
772.5166 1.827425
774.4451 1.850063
776.3735 1.874090
778.3020 1.896938
780.2305 1.916073
782.1589 1.912842
784.0874 1.883934
786.0159 1.965033
787.9443 2.240131
789.8728 2.314793
791.8013 1.970892
793.7297 1.865314
795.6582 2.136627
797.5867 2.372557
799.5151 2.542809
801.4436 2.630796
803.3721 2.588112
805.3005 2.537674
807.2290 2.528833
809.1575 2.526691
811.0859 2.465057
813.0144 2.458735
814.9429 2.596146
816.8713 2.818178
818.7998 3.202921
820.7283 3.528980
822.6567 3.355112
824.5852 2.937487
826.5137 2.887051
828.4421 3.090452
830.3706 3.063597
832.2991 2.843056
834.2275 2.827763
836.1560 3.024902
838.0845 3.183672
840.0129 3.306831
841.9414 3.362125
843.8699 3.339361
845.7983 3.334698
847.7268 3.378220
849.6553 3.313557
851.5837 3.060925
853.5122 2.916904
855.4407 2.986773
857.3691 3.032530
859.2976 2.941239
861.2261 2.878944
863.1545 2.893600
865.0830 2.958351
867.0115 3.191090
868.9399 3.307717
870.8684 3.048617
872.7969 2.715933
874.7253 2.532383
876.6538 2.376107
878.5823 2.114073
880.5107 1.809561
882.4392 1.444207
884.3677 1.157244
886.2961 1.264482
888.2246 1.533280
890.1531 1.499440
892.0815 1.329737
894.0100 1.327069
895.9385 1.437769
897.8669 1.468629
899.7954 1.434809
901.7239 1.437040
903.6523 1.464495
905.5808 1.347440
907.5093 1.078746
909.4377 0.9724470
911.3662 1.056600
913.2947 1.090075
915.2231 1.080338
917.1516 0.9987240
919.0801 0.7877050
921.0085 0.6659770
922.9370 0.6938510
924.8655 0.6919740
926.7939 0.6586360
928.7224 0.5876610
930.6509 0.4805950
932.5793 0.3282340
934.5078 3.6752000E-02
936.4363 8.0704004E-02
938.3647 0.1611750
940.2932 0.2959960
942.2217 0.1309260
944.1501 1.6524000E-02
946.0786 0.1127200
948.0071 0.1958350
949.9355 0.1316470
951.8640 8.2019001E-02
953.7925 6.4446002E-02
955.7209 0.1071410
957.6494 0.2764170
959.5779 0.3498870
961.5063 0.1269010
963.4348 6.7886002E-02
965.3633 4.9671002E-02
967.2917 3.1939998E-02
969.2202 0.1233720
971.1487 0.2380580
973.0771 0.4349900
975.0056 0.5567000
976.9341 0.4361960
978.8625 0.2605210
980.7910 0.1126210
982.7195 6.0557999E-02
984.6479 0.2346360
986.5764 0.4706430
988.5049 0.6243420
990.4333 0.6908460
992.3618 0.6385660
994.2903 0.5292490
996.2188 0.3992070
998.1472 0.2791330
1000.076 0.2062590
1002.004 0.1632350
1003.933 0.1329290
1005.861 0.1155300
1007.790 8.1550002E-02
1009.718 9.0967998E-02
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1027.074 7.6817997E-02
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1044.430 3.2308999E-02
1046.359 7.1958996E-02
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1056.001 0.3453450
1057.930 0.2169260
1059.858 8.9138001E-02
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1084.928 1.3007000E-02
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1092.642 2.8471000E-02
1094.571 4.4218998E-02
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1100.356 0.1201420
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1108.070 3.6012001E-02
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1162.067 8.6299002E-02
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1165.924 0.1043150
1167.852 4.6305001E-02
1169.781 2.7377000E-02
1171.709 3.9009999E-02
1173.638 5.1135000E-02
1175.566 0.1131990
1177.495 0.2929670
1179.423 6.1169998E-03
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1196.779 0.3001020
1198.708 5.1091999E-02
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1237.277 1.189738
1239.206 1.277906
1241.134 1.239620
1243.063 1.030406
1244.991 0.8863690
1246.919 1.211946
1248.848 1.627547
1250.776 1.755166
1252.705 1.743420
1254.633 1.590362
1256.562 1.595007
1258.490 2.010017
1260.419 2.471451
1262.347 2.832565
1264.276 3.240035
1266.204 3.654795
1268.133 4.203190
1270.061 4.981375
1271.990 5.930009
1273.918 7.077814
1275.846 8.445574
1277.775 10.01868
1279.703 12.15967
1281.632 14.92695
1283.560 18.21077
1285.489 21.21489
1287.417 21.88391
1289.346 20.89903
1291.274 18.39822
1293.203 15.34804
1295.131 12.46755
1297.060 9.978580
1298.988 8.043142
1300.917 6.493950
1302.845 5.346340
1304.773 4.348532
1306.702 3.407782
1308.630 2.595000
1310.559 1.889106
1312.487 1.495358
1314.416 1.523887
1316.344 1.362714
1318.273 0.9660300
1320.201 0.8063220
1322.130 0.8566720
1324.058 1.052257
1325.987 1.245432
1327.915 0.8307900
1329.844 1.042769
1331.772 0.5453970
1333.700 0.9352680
1335.629 0.7756150
1337.557 0.5282920
1339.486 0.4630830
1341.414 0.3982760
1343.343 0.2436420
1345.271 0.2041880
1347.200 0.3796450
1349.128 0.3403640
1351.057 1.6071999E-02
1352.985 7.9560000E-03
1354.914 0.0000000E+00
