#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:00:57 +0300 (Thu, 26 Apr 2018) $
#$Revision: 600 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000139.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_1000139
loop_
_publ_author_name
'Knobloch, D.'
'Pertlik, F.'
'Zemann, J.'
_publ_section_title
;
 Crystal structure refinements of buetschliite and eitelite: a
 contribution to the stereochemistry of trigonal carbonate minerals Note:
 synthetic
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              230
_journal_page_last               236
_journal_volume                  1980
_journal_year                    1980
_chemical_compound_source        R110214
_chemical_formula_sum            'C2 Mg Na2 O6'
_chemical_name_mineral           Eitelite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.946
_cell_length_b                   4.946
_cell_length_c                   16.422
_cell_volume                     347.908
_exptl_crystal_density_diffrn    2.725
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Na2 Mg C2 O6'
_cod_database_code               9009293
_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            R110214.rod
_rod_data_source.block           3500000
_rod_database.code               1000139
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 9009293 COD http://www.crystallography.net/cod/9009293.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
107.0313 0.0000000E+00
107.5134 2.226563
107.9955 5.4687999E-02
108.4776 0.5273440
108.9597 3.523438
109.4418 13.12891
109.9240 33.47266
110.4061 57.41797
110.8882 79.32422
111.3703 96.43750
111.8524 109.7695
112.3345 122.7305
112.8167 133.8672
113.2988 150.1406
113.7809 175.0039
114.2630 203.2539
114.7451 230.3594
115.2272 253.6250
115.7094 273.3867
116.1915 292.0000
116.6736 320.8555
117.1557 337.6172
117.6378 333.8398
118.1199 321.6250
118.6021 294.5781
119.0842 266.5938
119.5663 248.0039
120.0484 234.4180
120.5305 217.4531
121.0126 196.0234
121.4948 173.4844
121.9769 150.8242
122.4590 128.5898
122.9411 104.7539
123.4232 80.42188
123.9053 62.34766
124.3875 55.80078
124.8696 57.43359
125.3517 58.62109
125.8338 60.24609
126.3159 58.26953
126.7980 49.81641
127.2802 35.76953
127.7623 20.22266
128.2444 4.273438
128.7265 12.66406
129.2086 22.23438
129.6907 13.66797
130.1729 4.484375
130.6550 3.054688
131.1371 10.12500
131.6192 20.65234
132.1013 28.11719
132.5834 32.64844
133.0656 32.75781
133.5477 25.29688
134.0298 15.81641
134.5119 8.566406
134.9940 4.878906
135.4761 3.007813
135.9583 0.8554690
136.4404 7.617188
136.9225 15.77344
137.4046 26.50000
137.8867 38.55078
138.3688 50.76172
138.8510 63.29297
139.3331 74.37500
139.8152 77.53516
140.2973 66.31250
140.7794 57.96094
141.2615 62.57031
141.7437 77.28906
142.2258 89.03906
142.7079 87.85547
143.1900 80.74219
143.6721 83.19141
144.1542 101.2070
144.6364 122.2891
145.1185 133.6406
145.6006 133.8359
146.0827 132.8047
146.5648 133.5977
147.0469 136.5820
147.5291 143.4180
148.0112 156.7578
148.4933 172.4258
148.9754 179.1055
149.4575 167.1602
149.9396 164.0234
150.4218 186.6016
150.9039 220.0898
151.3860 244.4688
151.8681 246.9531
152.3502 230.2148
152.8323 217.7500
153.3145 207.3047
153.7966 204.0391
154.2787 214.2930
154.7608 232.5469
155.2429 247.8594
155.7250 250.5703
156.2072 238.8867
156.6893 239.8203
157.1714 259.8711
157.6535 283.2695
158.1356 308.1523
158.6177 331.7148
159.0999 347.4727
159.5820 348.4297
160.0641 331.5547
160.5462 316.6016
161.0283 303.3398
161.5104 292.1875
161.9926 282.0859
162.4747 273.0820
162.9568 269.6367
163.4389 280.6719
163.9210 305.3125
164.4031 322.7773
164.8853 325.2227
165.3674 319.6367
165.8495 314.6523
166.3316 311.4219
166.8137 309.4375
167.2958 309.4844
167.7780 310.9023
168.2601 310.1289
168.7422 304.5430
169.2243 295.2266
169.7064 285.8867
170.1885 273.9492
170.6707 266.5273
171.1528 269.8477
171.6349 281.8633
172.1170 293.8984
172.5991 298.7266
173.0812 295.9492
173.5634 293.8281
174.0455 292.4062
174.5276 291.9258
175.0097 291.3438
175.4918 291.2188
175.9739 293.9219
176.4561 303.9922
176.9382 326.3750
177.4203 338.6680
177.9024 334.1797
178.3845 325.8672
178.8666 320.2734
179.3488 318.2422
179.8309 316.3359
180.3130 309.0508
180.7951 288.9375
181.2772 281.3555
181.7593 294.2539
182.2415 312.8633
182.7236 328.5117
183.2057 338.5820
183.6878 342.9219
184.1699 340.5156
184.6520 324.9570
185.1342 316.4375
185.6163 318.5469
186.0984 326.3398
186.5805 335.6562
187.0626 346.0352
187.5447 357.2578
188.0269 366.8047
188.5090 373.3008
188.9911 381.5391
189.4732 390.3711
189.9553 401.8281
190.4374 420.9727
190.9196 452.0273
191.4017 485.8906
191.8838 507.4961
192.3659 515.6406
192.8480 525.1641
193.3301 547.6367
193.8123 577.7695
194.2944 594.7734
194.7765 584.6094
195.2586 569.8242
195.7407 574.5938
196.2228 599.1484
196.7050 628.2617
197.1871 653.4570
197.6692 674.7617
198.1513 690.6797
198.6334 696.1094
199.1155 700.2969
199.5977 707.9023
200.0798 719.7539
200.5619 737.3086
201.0440 762.6641
201.5261 796.8242
202.0082 834.6172
202.4904 884.8242
202.9725 932.2852
203.4546 969.0664
203.9367 994.4023
204.4188 1013.000
204.9009 1028.172
205.3831 1035.477
205.8652 1053.340
206.3473 1104.707
206.8294 1149.305
207.3115 1162.555
207.7936 1141.098
208.2758 1098.430
208.7579 1053.480
209.2400 1011.406
209.7221 953.7656
210.2042 866.0273
210.6863 775.8320
211.1685 700.9258
211.6506 645.0039
212.1327 600.4922
212.6148 555.9180
213.0969 507.8828
213.5790 469.1758
214.0612 445.9570
214.5433 427.5586
215.0254 404.2305
215.5075 374.1953
215.9896 343.3281
216.4717 320.2695
216.9539 307.9023
217.4360 297.5430
217.9181 288.8789
218.4002 282.1602
218.8823 278.8164
219.3644 279.2266
219.8466 279.6719
220.3287 274.8516
220.8108 264.1289
221.2929 252.1016
221.7750 239.6914
222.2571 226.2852
222.7393 209.3750
223.2214 187.6641
223.7035 167.8398
224.1856 162.2695
224.6677 169.8672
225.1498 171.9336
225.6320 155.1367
226.1141 131.9961
226.5962 126.9648
227.0783 149.9727
227.5604 173.5273
228.0425 163.1055
228.5247 127.0664
229.0068 98.31641
229.4889 94.00391
229.9710 105.5273
230.4531 114.2500
230.9352 118.3203
231.4174 119.4375
231.8995 117.2461
232.3816 113.0273
232.8637 110.6055
233.3458 110.4609
233.8279 113.3242
234.3101 123.6016
234.7922 148.8398
235.2743 168.2344
235.7564 166.3867
236.2385 151.0078
236.7206 137.5703
237.2028 136.1172
237.6849 143.7070
238.1670 147.8125
238.6491 147.5469
239.1312 144.7461
239.6133 140.2227
240.0955 134.1836
240.5776 125.9727
241.0597 113.0469
241.5418 98.24609
242.0239 96.62109
242.5060 120.5430
242.9882 141.0742
243.4703 147.6172
243.9524 146.1211
244.4345 144.4766
244.9166 146.3594
245.3987 152.4805
245.8809 166.9883
246.3630 197.5039
246.8451 226.9141
247.3272 256.6289
247.8093 281.9453
248.2914 296.3164
248.7736 295.8789
249.2557 283.3672
249.7378 269.5391
250.2199 244.5781
250.7020 231.4453
251.1841 239.6992
251.6663 258.9766
252.1484 278.5156
252.6305 293.2969
253.1126 303.1953
253.5947 307.4375
254.0768 291.1016
254.5590 287.9570
255.0411 309.1562
255.5232 341.0078
256.0053 368.3555
256.4874 384.7930
256.9695 394.9570
257.4517 409.9180
257.9338 437.2305
258.4159 460.4062
258.8980 477.6094
259.3801 491.1992
259.8622 504.6484
260.3444 518.9531
260.8265 530.7383
261.3086 533.6445
261.7907 522.0352
262.2728 508.5547
262.7549 489.6094
263.2371 470.8047
263.7192 460.4414
264.2013 459.8867
264.6834 458.1406
265.1655 437.4492
265.6476 385.6602
266.1298 345.9336
266.6119 327.4414
267.0940 318.1250
267.5761 306.7656
268.0582 290.8750
268.5403 275.5977
269.0225 268.3984
269.5046 273.1133
269.9867 267.0430
270.4688 244.4844
270.9509 215.2109
271.4330 185.2031
271.9152 156.0977
272.3973 131.4844
272.8794 114.7344
273.3615 106.1758
273.8436 102.1875
274.3257 106.3398
274.8079 111.7266
275.2900 112.1953
275.7721 107.8438
276.2542 105.2031
276.7363 109.8203
277.2184 121.1133
277.7006 130.2852
278.1827 138.8281
278.6648 143.3477
279.1469 138.4531
279.6290 126.3203
280.1111 118.0508
280.5933 121.1875
281.0754 133.5039
281.5575 145.0352
282.0396 158.8125
282.5217 168.5078
283.0038 168.2812
283.4860 159.8047
283.9681 151.3164
284.4502 146.1445
284.9323 143.6797
285.4144 142.1172
285.8965 141.6172
286.3787 141.6953
286.8608 140.6172
287.3429 139.5820
287.8250 143.2930
288.3071 154.8398
288.7892 169.7617
289.2714 181.9922
289.7535 191.5781
290.2356 198.8477
290.7177 203.2773
291.1998 205.4062
291.6819 207.3867
292.1641 210.9688
292.6462 211.5820
293.1283 198.5469
293.6104 174.0625
294.0925 161.0469
294.5746 177.1953
295.0568 209.6250
295.5389 233.1680
296.0210 244.2305
296.5031 248.4492
296.9852 245.3750
297.4673 238.3516
297.9495 237.3086
298.4316 253.5781
298.9137 274.5977
299.3958 279.7227
299.8779 265.7266
300.3600 249.3320
300.8422 240.1211
301.3243 236.2891
301.8064 236.0352
302.2885 241.1641
302.7706 247.4141
303.2527 250.5859
303.7349 250.6680
304.2170 247.2734
304.6991 237.7539
305.1812 225.7305
305.6633 215.9492
306.1454 209.0430
306.6276 204.5430
307.1097 204.4492
307.5918 208.3047
308.0739 206.5781
308.5560 191.0391
309.0381 173.2969
309.5203 168.7383
310.0024 179.1094
310.4845 186.5273
310.9666 176.0430
311.4487 151.1055
311.9308 128.5117
312.4130 110.1094
312.8951 97.08203
313.3772 90.83594
313.8593 90.52734
314.3414 92.48438
314.8235 96.28125
315.3057 100.8320
315.7878 104.7109
316.2699 110.2734
316.7520 109.0195
317.2341 87.63281
317.7162 54.97266
318.1984 30.30469
318.6805 27.33984
319.1626 33.57031
319.6447 27.82422
320.1268 7.636719
320.6089 11.33594
321.0911 21.02344
321.5732 23.53906
322.0553 19.66797
322.5374 4.792969
323.0195 8.628906
323.5016 5.605469
323.9838 14.08984
324.4659 34.25000
324.9480 52.95312
325.4301 65.48438
325.9122 65.42578
326.3943 50.85156
326.8765 32.87500
327.3586 16.33594
327.8407 2.113281
328.3228 4.460938
328.8049 0.9335940
329.2870 9.515625
329.7692 27.89453
330.2513 53.00000
330.7334 68.12109
331.2155 56.36328
331.6976 29.57812
332.1797 17.31250
332.6619 26.93750
333.1440 38.94141
333.6261 35.24609
334.1082 21.45312
334.5903 10.23438
335.0724 10.64453
335.5546 12.89844
336.0367 1.910156
336.5188 23.62891
337.0009 47.32031
337.4830 60.61328
337.9651 65.20703
338.4473 63.22266
338.9294 47.65234
339.4115 36.95703
339.8936 55.19531
340.3757 97.83594
340.8578 124.2344
341.3400 109.5312
341.8221 76.33984
342.3042 62.37891
342.7863 71.54688
343.2684 82.66016
343.7505 82.54688
344.2327 75.11719
344.7148 71.79688
345.1969 75.90625
345.6790 83.66797
346.1611 91.56641
346.6432 99.28125
347.1254 105.4023
347.6075 109.8477
348.0896 112.5859
348.5717 113.1016
349.0538 111.2109
349.5359 108.9492
350.0181 107.0117
350.5002 106.1797
350.9823 108.0859
351.4644 114.0938
351.9465 121.0430
352.4286 128.9219
352.9108 136.7852
353.3929 139.0430
353.8750 130.8203
354.3571 117.3477
354.8392 111.2539
355.3214 112.6133
355.8035 119.2891
356.2856 137.9375
356.7677 160.1289
357.2498 168.7500
357.7319 157.6602
358.2141 139.3164
358.6962 130.7852
359.1783 134.0430
359.6604 134.7188
360.1425 129.1445
360.6246 121.6719
361.1068 115.2578
361.5889 110.4922
362.0710 110.0781
362.5531 118.7148
363.0352 135.7539
363.5173 138.6523
363.9995 113.6016
364.4816 89.49609
364.9637 78.59375
365.4458 79.52734
365.9279 88.74609
366.4100 105.5195
366.8922 126.5859
367.3743 141.1797
367.8564 135.3008
368.3385 142.6953
368.8206 188.0273
369.3027 240.0352
369.7849 257.8594
370.2670 231.1797
370.7491 187.0156
371.2312 162.5781
371.7133 166.1914
372.1954 166.3203
372.6776 161.1133
373.1597 154.4648
373.6418 148.6719
374.1239 143.7812
374.6060 137.9883
375.0881 128.9414
375.5703 117.1250
376.0524 114.5938
376.5345 139.0625
377.0166 152.6992
377.4987 138.3828
377.9808 110.2383
378.4630 88.25781
378.9451 81.91797
379.4272 86.25391
379.9093 89.19922
380.3914 89.00781
380.8735 91.19531
381.3557 99.42188
381.8378 106.1289
382.3199 104.0391
382.8020 93.22266
383.2841 81.42578
383.7662 77.92969
384.2484 84.56641
384.7305 91.35156
385.2126 99.22266
385.6947 105.4688
386.1768 107.2227
386.6589 105.7812
387.1411 104.0156
387.6232 103.2305
388.1053 102.8359
388.5874 103.6016
389.0695 111.3516
389.5516 113.6992
390.0338 103.6328
390.5159 87.86328
390.9980 73.04688
391.4801 61.90234
391.9622 53.34766
392.4443 43.27344
392.9265 30.08594
393.4086 26.87891
393.8907 50.33594
394.3728 71.68750
394.8549 70.05469
395.3370 50.05078
395.8192 31.60547
396.3013 32.23047
396.7834 44.06250
397.2655 37.72656
397.7476 4.109375
398.2297 23.77344
398.7119 20.29688
399.1940 3.406250
399.6761 3.355469
400.1582 9.753906
400.6403 26.26953
401.1224 28.13672
401.6046 16.48828
402.0867 6.824219
402.5688 5.589844
403.0509 6.410156
403.5330 0.7109380
404.0151 11.63672
404.4973 22.16016
404.9794 25.07422
405.4615 24.34375
405.9436 28.83594
406.4257 40.77344
406.9078 48.71484
407.3900 39.49609
407.8721 17.47266
408.3542 5.085938
408.8363 9.414063
409.3184 19.11328
409.8005 30.29297
410.2827 41.61719
410.7648 48.10938
411.2469 46.87109
411.7290 41.12109
412.2111 37.78906
412.6932 36.96484
413.1754 37.70703
413.6575 39.55078
414.1396 42.91406
414.6217 49.20703
415.1038 58.23828
415.5859 66.61328
416.0681 71.16797
416.5502 71.71094
417.0323 68.42969
417.5144 57.16797
417.9965 46.91016
418.4786 38.85938
418.9608 34.77734
419.4429 38.60156
419.9250 52.81250
420.4071 72.75781
420.8892 85.30859
421.3713 83.86328
421.8535 85.07031
422.3356 92.79688
422.8177 100.9883
423.2998 106.4766
423.7819 108.0234
424.2640 103.9492
424.7462 90.53516
425.2283 66.35547
425.7104 52.03906
426.1925 57.12109
426.6746 62.22656
427.1567 60.06641
427.6389 54.64062
428.1210 52.60938
428.6031 57.15625
429.0852 66.46875
429.5673 78.46875
430.0494 95.41016
430.5316 107.1406
431.0137 109.4336
431.4958 106.9297
431.9779 100.5508
432.4600 91.09375
432.9421 82.64844
433.4243 78.03906
433.9064 77.04297
434.3885 79.29297
434.8706 86.70703
435.3527 92.75781
435.8348 88.60547
436.3170 80.87500
436.7991 82.03125
437.2812 101.5156
437.7633 121.5664
438.2454 123.8594
438.7275 110.4766
439.2097 96.16406
439.6918 84.29297
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1285.324 0.0000000E+00
