#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:44:20 +0300 (Thu, 26 Apr 2018) $
#$Revision: 545 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000094.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_1000094
loop_
_publ_author_name
'Le Page, Y.'
'Perrault, G.'
_publ_section_title
;
 Structure cristalline de la lemoynite, (Na,K)2CaZr2Si10O26,5-6H2O Note:
 x-coordinate of Na1 changed.
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              132
_journal_page_last               138
_journal_volume                  14
_journal_year                    1976
_chemical_compound_source        R080106
_chemical_formula_sum
'Ca0.83 Cu0.01 Fe0.08 H14 K Mg0.04 Na Nb0.08 O32 Si10 Ti0.06 Zn0.02 Zr1.86'
_chemical_name_mineral           Lemoynite
_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                 104.59
_cell_angle_gamma                90
_cell_length_a                   10.384
_cell_length_b                   15.947
_cell_length_c                   18.601
_cell_volume                     2980.880
_exptl_crystal_density_diffrn    2.428
_cod_original_formula_sum
'(Zr1.86 Nb.08 Ti.06) Si10 Ca.83 Fe.08 Zn.02 Cu.01 Mg.04 Na K O32 H14'
_cod_database_code               9004099
_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            R080106.rod
_rod_data_source.block           3500000
_rod_database.code               1000094
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 9004099 COD http://www.crystallography.net/cod/9004099.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
145.5563 0.0000000E+00
146.0384 7.3090002E-02
146.5205 0.6025090
147.0026 1.978851
147.4847 4.547607
147.9668 7.079773
148.4490 8.661255
148.9311 9.137054
149.4132 9.288544
149.8953 10.38882
150.3774 13.07806
150.8595 15.39310
151.3417 17.24118
151.8238 18.69812
152.3059 19.74969
152.7880 20.40790
153.2701 20.75302
153.7522 21.00763
154.2344 20.97910
154.7165 21.10727
155.1986 21.45557
155.6807 21.97101
156.1628 22.69043
156.6449 23.67361
157.1271 24.76834
157.6092 25.32727
158.0913 25.15643
158.5734 24.70108
159.0555 24.06714
159.5376 23.38208
160.0198 22.80692
160.5019 22.49753
160.9840 22.38263
161.4661 22.12018
161.9482 21.71439
162.4303 21.29129
162.9125 20.68594
163.3946 19.77774
163.8767 18.94763
164.3588 18.31317
164.8409 17.64929
165.3230 17.11914
165.8052 17.64664
166.2873 18.40384
166.7694 19.00577
167.2515 19.56143
167.7336 19.60190
168.2157 19.68610
168.6979 19.69415
169.1800 19.08337
169.6621 18.34512
170.1442 17.75192
170.6263 17.54379
171.1084 18.29938
171.5906 18.45865
172.0727 17.25140
172.5548 15.26956
173.0369 13.33551
173.5190 11.96579
174.0011 11.11212
174.4833 10.30707
174.9654 9.622711
175.4475 8.924316
175.9296 8.169769
176.4117 7.397095
176.8938 6.660095
177.3760 5.992523
177.8581 5.381500
178.3402 4.587402
178.8223 3.188293
179.3044 2.065338
179.7865 1.742096
180.2687 2.024750
180.7508 2.308044
181.2329 2.072540
181.7150 1.256683
182.1971 0.5421750
182.6792 0.2539370
183.1614 0.8216250
183.6435 0.8078000
184.1256 0.2676090
184.6077 0.2396850
185.0898 0.1646730
185.5719 0.5407410
186.0541 0.9910580
186.5362 0.8691100
187.0183 0.6599430
187.5004 0.9325870
187.9825 1.779205
188.4646 2.548431
188.9468 2.436569
189.4289 1.677597
189.9110 1.233231
190.3931 1.774094
190.8752 2.618622
191.3573 2.650299
191.8395 1.610825
192.3216 0.2480160
192.8037 1.030701
193.2858 2.196060
193.7679 3.142899
194.2500 3.690628
194.7322 3.968842
195.2143 4.403519
195.6964 5.055603
196.1785 5.795898
196.6606 6.483032
197.1427 7.182907
197.6249 8.042114
198.1070 9.239471
198.5891 10.73029
199.0712 12.05212
199.5533 13.15529
200.0354 14.11511
200.5176 15.01233
200.9997 15.79686
201.4818 16.36299
201.9639 16.64029
202.4460 16.63179
202.9281 16.30896
203.4103 15.38179
203.8924 14.60220
204.3745 14.35640
204.8566 14.52327
205.3387 14.76749
205.8208 14.80789
206.3030 14.65405
206.7851 14.41521
207.2672 13.83026
207.7493 13.32056
208.2314 13.01443
208.7135 12.95006
209.1957 13.14920
209.6778 13.65042
210.1599 14.51625
210.6420 15.24336
211.1241 15.84784
211.6062 16.32365
212.0884 16.39781
212.5705 16.22150
213.0526 16.42862
213.5347 17.65437
214.0168 20.05461
214.4989 22.24782
214.9811 24.57188
215.4632 26.46477
215.9453 27.33003
216.4274 27.21735
216.9095 26.94968
217.3916 27.20992
217.8737 28.03174
218.3559 28.84476
218.8380 29.92986
219.3201 30.82903
219.8022 31.05748
220.2843 30.58057
220.7664 29.92130
221.2486 29.52255
221.7307 29.29266
222.2128 28.85110
222.6949 28.02444
223.1770 27.01393
223.6591 26.06953
224.1413 25.22037
224.6234 24.28479
225.1055 22.92400
225.5876 21.39412
226.0697 20.20183
226.5518 19.67877
227.0340 19.47482
227.5161 19.06209
227.9982 18.37653
228.4803 17.69345
228.9624 17.20924
229.4445 16.82141
229.9267 16.38045
230.4088 15.77527
230.8909 15.13455
231.3730 14.68315
231.8551 14.38985
232.3372 14.39992
232.8194 14.98322
233.3015 15.80756
233.7836 16.46494
234.2657 16.72992
234.7478 16.82426
235.2299 17.28595
235.7121 18.34441
236.1942 19.32083
236.6763 20.00671
237.1584 20.51129
237.6405 20.93733
238.1227 21.32280
238.6048 21.71933
239.0869 22.24388
239.5690 22.90457
240.0511 23.65665
240.5332 24.44987
241.0154 25.30527
241.4975 26.33981
241.9796 27.62662
242.4617 28.97412
242.9438 29.83002
243.4259 29.76425
243.9081 29.77481
244.3902 30.01974
244.8723 30.41406
245.3544 30.93913
245.8365 31.55287
246.3186 32.05542
246.8008 32.02472
247.2829 31.09753
247.7650 30.18504
248.2471 29.25899
248.7292 28.29146
249.2113 27.38272
249.6935 26.60222
250.1756 25.83606
250.6577 24.77512
251.1398 22.87726
251.6219 21.37740
252.1040 20.69646
252.5862 20.16759
253.0683 19.12987
253.5504 17.41931
254.0325 15.44084
254.5146 13.85553
254.9967 12.92928
255.4789 11.95961
255.9610 10.82132
256.4431 9.722549
256.9252 8.864594
257.4073 8.287003
257.8894 7.854202
258.3716 7.405151
258.8537 6.990677
259.3358 6.362350
259.8179 5.253403
260.3000 4.088409
260.7821 3.289169
261.2643 2.912262
261.7464 2.628937
262.2285 2.072571
262.7106 1.165390
263.1927 0.2968900
263.6748 0.7967070
264.1570 1.680130
264.6391 1.931915
265.1212 1.526291
265.6033 0.7612760
266.0854 0.2531280
266.5675 1.503876
267.0497 2.119553
267.5318 1.519028
268.0139 0.6673130
268.4960 0.2946620
268.9781 0.4390110
269.4602 0.8100890
269.9424 1.268723
270.4245 1.786423
270.9066 2.184097
271.3887 2.426147
271.8708 2.573227
272.3529 2.648758
272.8351 2.658752
273.3172 2.633270
273.7993 2.507492
274.2814 2.395203
274.7635 2.602188
275.2456 3.454391
275.7278 4.270477
276.2099 4.494171
276.6920 4.191757
277.1741 3.933304
277.6562 4.127121
278.1383 4.417892
278.6205 4.074448
279.1026 2.775558
279.5847 1.526718
280.0668 1.083832
280.5489 1.323532
281.0310 1.508667
281.5132 1.290497
281.9953 1.002258
282.4774 1.175323
282.9595 1.904633
283.4416 2.526733
283.9237 2.584488
284.4059 2.185669
284.8880 1.756516
285.3701 1.328781
285.8522 1.006027
286.3343 0.8424220
286.8164 0.8331910
287.2986 1.036636
287.7807 1.686859
288.2628 2.601746
288.7449 3.114014
289.2270 2.917328
289.7091 2.702682
290.1913 3.173019
290.6734 4.140106
291.1555 4.933441
291.6376 5.189941
292.1197 5.057037
292.6018 4.804855
293.0840 4.324707
293.5661 4.035172
294.0482 4.480194
294.5303 5.284088
295.0124 5.733597
295.4945 5.307510
295.9767 4.519119
296.4588 4.334076
296.9409 4.894882
297.4230 5.371658
297.9051 5.244217
298.3872 4.907364
298.8694 4.818634
299.3515 5.160370
299.8336 5.708481
300.3157 6.181870
300.7978 6.570129
301.2799 6.958969
301.7621 7.330490
302.2442 7.747910
302.7263 8.300522
303.2084 9.024216
303.6905 9.767029
304.1726 10.41312
304.6548 10.96288
305.1369 11.35202
305.6190 11.47722
306.1011 11.49533
306.5832 11.47884
307.0653 11.44058
307.5475 11.48857
308.0296 11.75456
308.5117 12.21809
308.9938 12.66171
309.4759 13.22763
309.9580 13.53793
310.4402 13.29849
310.9223 12.60391
311.4044 11.81325
311.8865 11.11880
312.3686 10.50929
312.8507 9.947601
313.3329 9.519989
313.8150 8.978348
314.2971 8.070053
314.7792 6.972672
315.2613 5.996307
315.7434 5.226639
316.2256 4.694412
316.7077 4.574539
317.1898 5.096481
317.6719 5.372742
318.1540 4.721649
318.6361 3.736862
319.1183 3.088531
319.6004 3.047485
320.0825 3.188766
320.5646 2.824631
321.0467 1.822525
321.5288 1.147537
322.0110 1.440689
322.4931 1.997818
322.9752 2.329239
323.4573 2.364746
323.9394 2.248642
324.4215 2.056778
324.9037 1.790359
325.3858 1.562653
325.8679 1.358673
326.3500 1.247406
326.8321 1.362915
327.3142 1.655304
327.7964 1.826477
328.2785 1.497253
328.7606 0.8253780
329.2427 0.6303560
329.7248 1.207550
330.2069 1.830322
330.6891 2.086823
331.1712 2.063690
331.6533 1.923737
332.1354 1.682281
332.6175 1.400711
333.0996 1.185318
333.5818 1.025314
334.0639 1.036270
334.5460 1.498459
335.0281 2.065140
335.5102 2.300491
335.9923 1.984467
336.4745 1.498581
336.9566 1.344940
337.4387 1.543808
337.9208 1.700287
338.4029 1.527527
338.8850 1.395752
339.3671 1.747192
339.8492 2.646698
340.3314 3.475845
340.8135 3.674240
341.2956 3.347168
341.7777 3.171432
342.2598 3.380463
342.7419 3.594864
343.2241 3.434662
343.7062 2.971344
344.1883 2.563217
344.6704 2.339325
345.1525 2.295837
345.6346 2.551804
346.1168 3.284760
346.5989 3.757614
347.0810 3.127182
347.5631 1.889267
348.0452 0.8673100
348.5273 0.2929080
349.0095 2.2430001E-03
349.4916 9.5108002E-02
349.9737 8.0110002E-03
350.4558 8.7890001E-03
350.9379 0.3242950
351.4200 0.7885280
351.9022 1.034760
352.3843 0.9676510
352.8664 0.8999020
353.3485 1.276382
353.8306 1.886429
354.3127 1.781799
354.7949 0.4128110
355.2770 1.283936
355.7591 1.977158
356.2412 1.687729
356.7233 1.695572
357.2054 2.758652
357.6876 4.307327
358.1697 5.440521
358.6518 6.019608
359.1339 6.357407
359.6160 6.645309
360.0981 6.900070
360.5803 7.206528
361.0624 7.409592
361.5445 7.793335
362.0266 8.777054
362.5087 10.27145
362.9908 11.56352
363.4730 12.24747
363.9551 12.44347
364.4372 12.56490
364.9193 12.43158
365.4014 12.51843
365.8835 13.27080
366.3657 14.35591
366.8478 15.05571
367.3299 15.08806
367.8120 14.83774
368.2941 14.92783
368.7762 15.45763
369.2584 15.85826
369.7405 16.04300
370.2226 16.06966
370.7047 15.93283
371.1868 15.64902
371.6689 15.38870
372.1511 15.33649
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373.1153 15.42580
373.5974 15.00537
374.0795 14.46671
374.5616 13.93649
375.0438 13.37740
375.5259 12.63631
376.0080 11.60765
376.4901 10.40485
376.9722 9.439697
377.4543 8.870697
377.9365 8.330170
378.4186 7.732208
378.9007 7.164429
379.3828 6.814758
379.8649 6.709595
380.3470 6.563690
380.8292 5.945831
381.3113 4.590546
381.7934 3.541931
382.2755 2.676880
382.7576 2.173660
383.2397 2.386765
383.7219 3.110428
384.2040 3.744247
384.6861 3.824524
385.1682 3.373947
385.6503 2.721588
386.1324 1.225037
386.6146 0.2570040
387.0967 0.4912570
387.5788 1.254395
388.0609 1.670609
388.5430 1.367737
389.0251 0.6764370
389.5073 0.2764130
389.9894 0.3908690
390.4715 0.3250890
390.9536 0.1555630
391.4357 0.6528470
391.9178 0.9770660
392.4000 1.076889
392.8821 0.9327390
393.3642 0.4204560
393.8463 0.4817350
394.3284 0.9888610
394.8105 0.8135220
395.2927 0.5473630
395.7748 0.2654880
396.2569 5.6685999E-02
396.7390 6.2835999E-02
397.2211 0.3868410
397.7032 0.8987580
398.1854 1.299347
398.6675 1.542343
399.1496 1.820602
399.6317 2.122665
400.1138 2.524521
400.5959 3.176819
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401.5602 4.947113
402.0423 5.348297
402.5244 5.346527
403.0065 5.455963
403.4886 5.616516
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404.4529 7.183914
404.9350 8.718369
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405.8992 11.96890
406.3813 13.49254
406.8635 14.67876
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408.7919 16.75363
409.2740 17.31102
409.7562 18.11992
410.2383 19.28870
410.7204 21.18353
411.2025 23.50456
411.6846 25.41833
412.1667 26.74464
412.6489 27.74168
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414.0952 29.56366
414.5773 30.02386
415.0594 30.61557
415.5416 31.64143
416.0237 33.04816
416.5058 34.36436
416.9879 35.30446
417.4700 35.87177
417.9521 36.16673
418.4343 35.80550
418.9164 35.68073
419.3985 36.26857
419.8806 37.17055
420.3627 37.69423
420.8448 37.62473
421.3270 37.50258
421.8091 38.21521
422.2912 40.36919
422.7733 41.55566
423.2554 41.17279
423.7375 40.42992
424.2197 39.83527
424.7018 39.49983
425.1839 39.47894
425.6660 39.84003
426.1481 40.52228
426.6302 41.11992
427.1124 41.62746
427.5945 42.04034
428.0766 42.11815
428.5587 42.22266
429.0408 42.88188
429.5229 44.19846
430.0051 45.56010
430.4872 45.96388
430.9693 45.05508
431.4514 44.67619
431.9335 45.46326
432.4156 46.27930
432.8978 46.78415
433.3799 46.95193
433.8620 46.83145
434.3441 46.44284
434.8262 45.79599
435.3083 44.82854
435.7905 43.34253
436.2726 42.09673
436.7547 41.59161
437.2368 41.32243
437.7189 40.82997
438.2010 40.01373
438.6832 39.20018
439.1653 38.61446
439.6474 38.25572
440.1295 38.17261
440.6116 38.51900
441.0938 38.86121
441.5759 38.77304
442.0580 38.37166
442.5401 37.98700
443.0222 37.70995
443.5043 37.49193
443.9865 37.39117
444.4686 37.36829
444.9507 37.02968
445.4328 36.06381
445.9149 34.79553
446.3970 34.04507
446.8792 34.08354
447.3613 33.78545
447.8434 32.65482
448.3255 31.11169
448.8076 29.64835
449.2897 28.33859
449.7719 26.99730
450.2540 25.43588
450.7361 23.64548
451.2182 22.01468
451.7003 20.73407
452.1824 19.36743
452.6646 17.57692
453.1467 15.63318
453.6288 14.05927
454.1109 13.07819
454.5930 12.38464
455.0751 11.32234
455.5573 9.484833
456.0394 8.053360
456.5215 7.125656
457.0036 6.446777
457.4857 6.008087
457.9678 5.699844
458.4500 5.263550
458.9321 4.471436
459.4142 3.395279
459.8963 2.434982
460.3784 1.542862
460.8605 0.8715970
461.3427 0.6229100
461.8248 0.4899600
462.3069 0.1224210
462.7890 0.5658870
463.2711 1.250427
463.7532 1.566742
464.2354 1.540985
464.7175 1.489410
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