#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:26:52 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1098 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000534.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_1000534
loop_
_publ_author_name
'Brunton, G. D.'
_publ_section_title
;
 Refinement of the callaghanite structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              965
_journal_page_last               965
_journal_volume                  58
_journal_year                    1973
_chemical_compound_source        R050598
_chemical_formula_sum            'C H10 Cu2 Mg2 O11'
_chemical_name_mineral           Callaghanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.38
_cell_angle_gamma                90
_cell_length_a                   10.0060
_cell_length_b                   11.7520
_cell_length_c                   8.2132
_cell_volume                     921.701
_exptl_crystal_density_diffrn    2.690
_cod_original_formula_sum        'Cu2 Mg2 C O11 H10'
_cod_database_code               9000379
_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            R050598.rod
_rod_data_source.block           3500000
_rod_database.code               1000534
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 9000379 COD http://www.crystallography.net/cod/9000379.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
132.8347 0.0000000E+00
133.3168 0.1105220
133.7989 1.5539000E-02
134.2810 1.3979000E-02
134.7632 0.1770030
135.2453 0.4034290
135.7274 0.6787180
136.2095 0.9773450
136.6916 1.221588
137.1737 1.321227
137.6559 1.414123
138.1380 1.663614
138.6201 2.096859
139.1022 2.551821
139.5843 2.946264
140.0664 3.292902
140.5486 3.601218
141.0307 3.923444
141.5128 4.206828
141.9949 4.245825
142.4770 3.782542
142.9591 3.488779
143.4413 3.643909
143.9234 4.138264
144.4055 4.746983
144.8876 5.382502
145.3697 6.046367
145.8518 6.553247
146.3340 6.930504
146.8161 7.107260
147.2982 7.041067
147.7803 6.743177
148.2624 6.243694
148.7445 5.545901
149.2267 4.582590
149.7088 3.746275
150.1909 3.019303
150.6730 2.399649
151.1551 1.946741
151.6372 1.551896
152.1194 1.332718
152.6015 1.353264
153.0836 1.637676
153.5657 1.747664
154.0478 1.573204
154.5300 1.352221
155.0121 1.333786
155.4942 1.589278
155.9763 1.950042
156.4584 2.140277
156.9405 2.144167
157.4227 2.195648
157.9048 2.393243
158.3869 2.677834
158.8690 2.939035
159.3511 3.150115
159.8332 3.273317
160.3154 3.292860
160.7975 3.215054
161.2796 3.039984
161.7617 2.717468
162.2438 2.262382
162.7259 1.891416
163.2081 1.701757
163.6902 1.580841
164.1723 1.456264
164.6544 1.318975
165.1365 1.171660
165.6186 1.002583
166.1008 0.7975030
166.5829 0.6405710
167.0650 0.6228180
167.5471 0.6073510
168.0292 0.4872070
168.5113 0.2411040
168.9935 3.9480999E-02
169.4756 0.1927010
169.9577 0.1249440
170.4398 0.1061570
170.9219 0.2102260
171.4040 0.3351970
171.8862 0.3968060
172.3683 0.3639150
172.8504 0.2648440
173.3325 0.1656600
173.8146 6.1935000E-02
174.2967 3.5312001E-02
174.7789 0.1200730
175.2610 0.2027290
175.7431 0.2877120
176.2252 0.3771200
176.7073 0.4777740
177.1894 0.6149490
177.6716 0.8502660
178.1537 1.043571
178.6358 1.155996
179.1179 1.215296
179.6000 1.268387
180.0822 1.296562
180.5643 1.313934
181.0464 1.315621
181.5285 1.276983
182.0106 1.261268
182.4927 1.423706
182.9749 1.710751
183.4570 1.837632
183.9391 1.541582
184.4212 1.040260
184.9033 0.7953070
185.3854 0.9040920
185.8676 1.112774
186.3497 1.240871
186.8318 1.288845
187.3139 1.306138
187.7960 1.249324
188.2781 1.200216
188.7603 1.266875
189.2424 1.498729
189.7245 1.789845
190.2066 2.007701
190.6887 2.151401
191.1708 2.294989
191.6530 2.488993
192.1351 2.696189
192.6172 2.887475
193.0993 3.056084
193.5814 3.190112
194.0635 3.264018
194.5457 3.270408
195.0278 3.222798
195.5099 3.124040
195.9920 2.985515
196.4741 2.804293
196.9562 2.576058
197.4384 2.330525
197.9205 2.153028
198.4026 2.089740
198.8847 2.041065
199.3668 1.976267
199.8489 1.923278
200.3311 1.922589
200.8132 1.996052
201.2953 2.120709
201.7774 2.205256
202.2595 2.178383
202.7417 2.189799
203.2238 2.260375
203.7059 2.376966
204.1880 2.521384
204.6701 2.684134
205.1522 2.865826
205.6344 3.070763
206.1165 3.296640
206.5986 3.547101
207.0807 3.866259
207.5628 4.208659
208.0449 4.494293
208.5271 4.682726
209.0092 4.780593
209.4913 4.811521
209.9734 4.774908
210.4555 4.690479
210.9376 4.580739
211.4198 4.432547
211.9019 4.192949
212.3840 3.808393
212.8661 3.339915
213.3482 2.958974
213.8303 2.688356
214.3125 2.458109
214.7946 2.240948
215.2767 2.036105
215.7588 1.844873
216.2409 1.663888
216.7230 1.501802
217.2052 1.365935
217.6873 1.266563
218.1694 1.173979
218.6515 1.063640
219.1336 0.9359170
219.6157 0.8138570
220.0979 0.6986860
220.5800 0.5992130
221.0621 0.5273740
221.5442 0.4891180
222.0263 0.4593440
222.5084 0.4144330
222.9906 0.3528460
223.4727 0.2890340
223.9548 0.2280340
224.4369 0.1656530
224.9190 8.6847998E-02
225.4011 1.4253000E-02
225.8833 8.9597002E-02
226.3654 6.8005003E-02
226.8475 6.8581000E-02
227.3296 0.1741300
227.8117 0.2539010
228.2939 0.2891530
228.7760 0.2282100
229.2581 6.7376003E-02
229.7402 0.1032500
230.2223 0.1469490
230.7044 3.9039999E-03
231.1866 9.2221998E-02
231.6687 9.7795002E-02
232.1508 6.7354999E-02
232.6329 1.2016000E-02
233.1150 5.9250999E-02
233.5971 0.1198030
234.0793 0.1263410
234.5614 4.7015000E-02
235.0435 7.1230000E-03
235.5256 2.3449000E-02
236.0077 2.5572000E-02
236.4898 1.2817000E-02
236.9720 7.8659998E-03
237.4541 9.7810002E-03
237.9362 5.0622001E-02
238.4183 0.2147610
238.9004 0.3407810
239.3825 0.4415240
239.8647 0.5026280
240.3468 0.4971010
240.8289 0.4302630
241.3110 0.3446460
241.7931 0.2885780
242.2752 0.2538050
242.7574 0.2892990
243.2395 0.4677180
243.7216 0.6440290
244.2037 0.7018310
244.6858 0.6393590
245.1679 0.5623180
245.6501 0.5925050
246.1322 0.7746350
246.6143 0.8598190
247.0964 0.7298790
247.5785 0.6029600
248.0606 0.6617230
248.5428 0.9016250
249.0249 1.148432
249.5070 1.227362
249.9891 1.104877
250.4712 1.028784
250.9533 1.030199
251.4355 1.050283
251.9176 1.046323
252.3997 1.018064
252.8818 0.9952240
253.3639 1.001691
253.8461 1.040565
254.3282 1.092551
254.8103 1.156411
255.2924 1.232784
255.7745 1.337323
256.2566 1.464918
256.7387 1.568126
257.2209 1.599615
257.7030 1.574022
258.1851 1.597453
258.6672 1.691737
259.1493 1.816786
259.6314 1.965173
260.1136 2.131131
260.5957 2.260883
261.0778 2.290917
261.5599 2.272740
262.0420 2.365502
262.5241 2.685936
263.0063 2.980874
263.4884 3.030606
263.9705 2.863667
264.4526 2.733551
264.9348 2.782279
265.4169 2.926583
265.8990 3.001459
266.3811 2.994434
266.8632 2.941768
267.3453 2.851504
267.8275 2.729249
268.3096 2.612136
268.7917 2.489996
269.2738 2.406080
269.7559 2.415995
270.2380 2.534624
270.7202 2.670569
271.2023 2.789901
271.6844 2.885041
272.1665 2.894595
272.6486 2.752626
273.1307 2.570337
273.6129 2.452692
274.0950 2.399162
274.5771 2.381024
275.0592 2.392788
275.5413 2.429007
276.0234 2.457404
276.5056 2.473870
276.9877 2.479289
277.4698 2.481260
277.9519 2.477214
278.4340 2.454314
278.9161 2.404280
279.3983 2.329000
279.8804 2.230599
280.3625 2.090602
280.8446 1.956928
281.3267 1.858098
281.8088 1.786627
282.2910 1.724300
282.7731 1.651320
283.2552 1.577522
283.7373 1.559294
284.2194 1.659932
284.7015 1.717711
285.1837 1.615283
285.6658 1.426951
286.1479 1.262110
286.6300 1.174275
287.1121 1.134789
287.5942 1.081455
288.0764 1.024448
288.5585 0.9550030
289.0406 0.8414620
289.5227 0.7124830
290.0048 0.5899010
290.4869 0.4727770
290.9691 0.3885640
291.4512 0.4121820
291.9333 0.6052810
292.4154 0.7264560
292.8975 0.6363500
293.3796 0.4888700
293.8618 0.4017240
294.3439 0.4047610
294.8260 0.4385540
295.3081 0.4266490
295.7902 0.3601690
296.2723 0.2953290
296.7545 0.2189020
297.2366 0.1612820
297.7187 0.1638580
298.2008 0.2199170
298.6829 0.2603540
299.1650 0.1768750
299.6472 5.7195000E-02
300.1293 0.1609650
300.6114 6.0346000E-02
301.0935 0.2604430
301.5756 0.2524280
302.0577 7.7128999E-02
302.5399 9.4180003E-02
303.0220 0.1165730
303.5041 3.6589999E-03
303.9862 9.8815002E-02
304.4683 0.1639620
304.9504 0.2064240
305.4326 0.2144530
305.9147 0.1997390
306.3968 0.1733100
306.8789 0.1387180
307.3610 9.8802999E-02
307.8431 6.7755997E-02
308.3253 4.0065002E-02
308.8074 3.5854001E-02
309.2895 8.2579002E-02
309.7716 0.1414670
310.2537 0.1536780
310.7358 8.6903997E-02
311.2180 6.8239998E-03
311.7001 1.8070000E-03
312.1822 0.1792820
312.6643 0.3004590
313.1465 0.3008030
313.6286 0.2500220
314.1107 0.1806410
314.5928 0.1052330
315.0749 6.3171998E-02
315.5570 0.1332420
316.0392 0.3632610
316.5213 0.5289080
317.0034 0.5605360
317.4855 0.5636340
317.9676 0.5915210
318.4497 0.6450810
318.9319 0.6990550
319.4140 0.7243900
319.8961 0.7159650
320.3782 0.7398570
320.8603 0.8333110
321.3424 0.9241000
321.8246 0.9884760
322.3067 1.021359
322.7888 1.025494
323.2709 1.004111
323.7530 0.9608060
324.2351 0.9201190
324.7173 0.8812860
325.1994 0.8465070
325.6815 0.8249440
326.1636 0.8051000
326.6457 0.7657380
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328.0921 0.5744290
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361.3581 6.6643000E-02
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366.1793 4.5399999E-04
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370.0363 1.1235000E-02
370.5184 6.3005999E-02
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407.6414 0.1258900
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409.5698 0.2198120
410.0519 0.1518720
410.5341 9.0282999E-02
411.0162 3.5307001E-02
411.4983 9.7220000E-03
411.9804 4.9988002E-02
412.4626 7.6217003E-02
412.9447 6.8910003E-02
413.4268 1.5482000E-02
413.9089 5.6012999E-02
414.3910 0.1372930
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420.1764 0.3260890
420.6585 0.3004430
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421.6228 0.3768190
422.1049 0.4718590
422.5870 0.5614660
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