#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:28:54 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1132 $ #$URL: svn://172.16.1.111/rod/cif/2/31/00/2310012.rod $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2310012 loop_ _publ_author_name 'Giglio, M.' _publ_section_title ; Die kristallstruktur von Na2Zn(SO4)2*4H2O (Zn-blodit) Locality: synthetic ; _journal_name_full 'Acta Crystallographica' _journal_page_first 789 _journal_page_last 794 _journal_paper_doi 10.1107/S0365110X5800222X _journal_volume 11 _journal_year 1958 _chemical_compound_source R110213 _chemical_formula_sum 'H8 Na2 O12 S2 Zn' _chemical_name_mineral Changoite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _cell_angle_alpha 90 _cell_angle_beta 100.58 _cell_angle_gamma 90 _cell_length_a 11.05 _cell_length_b 8.23 _cell_length_c 5.54 _cell_volume 495.251 _exptl_crystal_density_diffrn 2.518 _cod_original_formula_sum 'Zn Na2 S2 O12 H8' _cod_database_code 9011018 _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 R110213.rod _rod_data_source.block 3500000 _rod_database.code 2310012 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 9011018 COD http://www.crystallography.net/cod/9011018.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 158.1356 0.0000000E+00 158.6177 4.5441002E-02 159.0999 0.5473630 159.5820 1.035706 160.0641 1.494690 160.5462 1.578735 161.0283 0.6288760 161.5104 0.1755980 161.9926 0.3150940 162.4747 2.225861 162.9568 4.355743 163.4389 5.451172 163.9210 5.558411 164.4031 5.357910 164.8853 4.749542 165.3674 3.951904 165.8495 3.196136 166.3316 2.394073 166.8137 1.975342 167.2958 2.680542 167.7780 4.214874 168.2601 5.448700 168.7422 5.574768 169.2243 4.904755 169.7064 4.736084 170.1885 5.693604 170.6707 6.518372 171.1528 6.055756 171.6349 4.624176 172.1170 3.574921 172.5991 4.480377 173.0812 7.495300 173.5634 9.161438 174.0455 7.713654 174.5276 6.070007 175.0097 5.472778 175.4918 5.899048 175.9739 6.598755 176.4561 6.755463 176.9382 6.190674 177.4203 5.678467 177.9024 5.010651 178.3845 4.560730 178.8666 4.641052 179.3488 5.252899 179.8309 6.089142 180.3130 6.681580 180.7951 7.028229 181.2772 7.092926 181.7593 6.626495 182.2415 6.101715 182.7236 5.870972 183.2057 6.096283 183.6878 6.636169 184.1699 7.138672 184.6520 7.610504 185.1342 7.700104 185.6163 7.017792 186.0984 6.120483 186.5805 5.676361 187.0626 5.929199 187.5447 6.468353 188.0269 6.670135 188.5090 6.553314 188.9911 6.371185 189.4732 6.018372 189.9553 5.676575 190.4374 5.716888 190.9196 6.378998 191.4017 7.207794 191.8838 7.549744 192.3659 7.413849 192.8480 7.090515 193.3301 6.625549 193.8123 6.047089 194.2944 5.446045 194.7765 4.697021 195.2586 4.109192 195.7407 4.089722 196.2228 4.654602 196.7050 5.110657 197.1871 4.963531 197.6692 4.220245 198.1513 3.391449 198.6334 2.663666 199.1155 2.037903 199.5977 1.383209 200.0798 0.5843810 200.5619 0.1073300 201.0440 0.4224240 201.5261 0.3070070 202.0082 0.1919250 202.4904 0.1540220 202.9725 8.2794003E-02 203.4546 0.1360780 203.9367 0.5046080 204.4188 0.8688050 204.9009 0.9737850 205.3831 0.5943910 205.8652 0.6693120 206.3473 1.902130 206.8294 3.056702 207.3115 3.332092 207.7936 2.645447 208.2758 1.523712 208.7579 0.6266780 209.2400 0.2333680 209.7221 0.3579100 210.2042 0.7478640 210.6863 2.104431 211.1685 3.055786 211.6506 3.471008 212.1327 3.654846 212.6148 4.064392 213.0969 4.944305 213.5790 5.514618 214.0612 5.818817 214.5433 5.815094 215.0254 5.209839 215.5075 4.011810 215.9896 2.935944 216.4717 2.997345 216.9539 5.020630 217.4360 6.198425 217.9181 5.725952 218.4002 4.768341 218.8823 4.512817 219.3644 5.248230 219.8466 6.362366 220.3287 7.026123 220.8108 7.155792 221.2929 7.344543 221.7750 7.815186 222.2571 8.330841 222.7393 8.567017 223.2214 8.435089 223.7035 8.156952 224.1856 7.984863 224.6677 7.910187 225.1498 7.854767 225.6320 7.853027 226.1141 7.846039 226.5962 7.698792 227.0783 7.337189 227.5604 6.990509 228.0425 7.004272 228.5247 7.282349 229.0068 7.365845 229.4889 6.895111 229.9710 6.116150 230.4531 5.630798 230.9352 5.640991 231.4174 5.648560 231.8995 5.231232 232.3816 4.502960 232.8637 3.765350 233.3458 3.047455 233.8279 2.420685 234.3101 2.143951 234.7922 2.405151 235.2743 2.724945 235.7564 2.689575 236.2385 2.501678 236.7206 2.597443 237.2028 3.455048 237.6849 4.806885 238.1670 5.495758 238.6491 5.246277 239.1312 4.670074 239.6133 3.708069 240.0955 2.693817 240.5776 2.175812 241.0597 2.559662 241.5418 3.650116 242.0239 4.536591 242.5060 5.118256 242.9882 5.650940 243.4703 6.152985 243.9524 6.680267 244.4345 7.311676 244.9166 8.093384 245.3987 8.970398 245.8809 9.689087 246.3630 10.03830 246.8451 10.53229 247.3272 11.42282 247.8093 12.44989 248.2914 13.24704 248.7736 13.60172 249.2557 13.66599 249.7378 14.04477 250.2199 14.94238 250.7020 15.93982 251.1841 17.24875 251.6663 18.54095 252.1484 19.35062 252.6305 19.44843 253.1126 19.10223 253.5947 19.15604 254.0768 20.09491 254.5590 20.87271 255.0411 21.17343 255.5232 21.42828 256.0053 22.17682 256.4874 23.63113 256.9695 25.44901 257.4517 26.82425 257.9338 27.48688 258.4159 27.95242 258.8980 27.73709 259.3801 27.44858 259.8622 27.95151 260.3444 29.56165 260.8265 31.58084 261.3086 32.57602 261.7907 31.49484 262.2728 30.85355 262.7549 30.74353 263.2371 31.03326 263.7192 31.81509 264.2013 33.09650 264.6834 34.28864 265.1655 34.43921 265.6476 32.90009 266.1298 31.90790 266.6119 31.84296 267.0940 32.16260 267.5761 32.47653 268.0582 32.70978 268.5403 32.79892 269.0225 32.66306 269.5046 32.23688 269.9867 31.68338 270.4688 30.66733 270.9509 29.76340 271.4330 29.63937 271.9152 30.35660 272.3973 31.23450 272.8794 31.65079 273.3615 31.52124 273.8436 31.25507 274.3257 30.46323 274.8079 29.85403 275.2900 30.27982 275.7721 31.67499 276.2542 32.85754 276.7363 32.91910 277.2184 31.94623 277.7006 31.06412 278.1827 30.05865 278.6648 29.32712 279.1469 29.46118 279.6290 30.36691 280.1111 30.95108 280.5933 30.40292 281.0754 29.03003 281.5575 28.06613 282.0396 27.83151 282.5217 27.61661 283.0038 26.91046 283.4860 25.80832 283.9681 24.81226 284.4502 24.19363 284.9323 23.78333 285.4144 23.14603 285.8965 22.06540 286.3787 21.28210 286.8608 21.48926 287.3429 22.39362 287.8250 22.89316 288.3071 22.47015 288.7892 21.70425 289.2714 21.52795 289.7535 22.02933 290.2356 22.30542 290.7177 21.81015 291.1998 20.76367 291.6819 19.73621 292.1641 18.84396 292.6462 18.03595 293.1283 17.24088 293.6104 16.45416 294.0925 15.71082 294.5746 14.98746 295.0568 14.34366 295.5389 13.95300 296.0210 13.93246 296.5031 13.82333 296.9852 12.93219 297.4673 11.57339 297.9495 10.67709 298.4316 11.02701 298.9137 11.85568 299.3958 11.97031 299.8779 11.23807 300.3600 10.25232 300.8422 9.112366 301.3243 8.025726 301.8064 7.437408 302.2885 7.748840 302.7706 8.304077 303.2527 8.286438 303.7349 7.650055 304.2170 7.085632 304.6991 7.019684 305.1812 7.171326 305.6633 7.153900 306.1454 6.882507 306.6276 6.528595 307.1097 6.243713 307.5918 6.023468 308.0739 5.763275 308.5560 5.400757 309.0381 4.999390 309.5203 4.568024 310.0024 4.084869 310.4845 3.797699 310.9666 4.102783 311.4487 4.826996 311.9308 5.052643 312.4130 4.348511 312.8951 3.454132 313.3772 3.142517 313.8593 3.315521 314.3414 3.329437 314.8235 2.416473 315.3057 1.122772 315.7878 1.167725 316.2699 3.371490 316.7520 5.259369 317.2341 4.454163 317.7162 1.964417 318.1984 9.2864998E-02 318.6805 0.8254390 319.1626 0.7510680 319.6447 0.6613460 320.1268 0.5899350 320.6089 0.3197630 321.0911 0.6478880 321.5732 1.795441 322.0553 2.363281 322.5374 2.081635 323.0195 1.386353 323.5016 0.6549990 323.9838 0.1137700 324.4659 0.9114380 324.9480 1.935730 325.4301 2.837708 325.9122 3.196899 326.3943 2.935394 326.8765 2.385132 327.3586 1.532471 327.8407 0.4970400 328.3228 2.0630000E-02 328.8049 0.2173160 329.2870 0.9444890 329.7692 2.069458 330.2513 3.539490 330.7334 4.650452 331.2155 4.568756 331.6976 3.927795 332.1797 4.517365 332.6619 7.074249 333.1440 9.308228 333.6261 8.786926 334.1082 6.461792 334.5903 4.433899 335.0724 3.699005 335.5546 3.425415 336.0367 2.383209 336.5188 0.4754640 337.0009 1.139038 337.4830 1.633698 337.9651 1.425171 338.4473 1.293793 338.9294 1.316742 339.4115 1.440216 339.8936 1.621063 340.3757 1.864746 340.8578 2.166840 341.3400 2.476929 341.8221 2.918243 342.3042 3.660675 342.7863 4.735809 343.2684 5.920288 343.7505 7.262878 344.2327 8.626892 344.7148 9.575317 345.1969 9.862518 345.6790 10.13538 346.1611 11.24246 346.6432 13.04770 347.1254 14.93192 347.6075 16.78677 348.0896 18.60739 348.5717 20.36838 349.0538 22.07828 349.5359 23.64386 350.0181 24.78403 350.5002 25.72968 350.9823 27.41324 351.4644 30.82742 351.9465 34.16876 352.4286 35.99069 352.9108 36.57788 353.3929 37.35873 353.8750 39.04269 354.3571 41.31943 354.8392 43.43222 355.3214 45.43011 355.8035 47.17639 356.2856 48.55939 356.7677 49.68732 357.2498 50.73026 357.7319 51.73209 358.2141 52.63028 358.6962 53.27951 359.1783 53.58435 359.6604 54.24753 360.1425 55.98849 360.6246 57.77814 361.1068 58.53296 361.5889 58.19263 362.0710 57.50427 362.5531 57.06528 363.0352 56.88510 363.5173 56.67639 363.9995 56.81479 364.4816 56.55402 364.9637 55.45715 365.4458 53.67242 365.9279 51.45221 366.4100 48.81662 366.8922 46.08438 367.3743 44.37958 367.8564 44.68161 368.3385 44.54486 368.8206 43.58765 369.3027 42.10437 369.7849 40.41592 370.2670 38.58719 370.7491 36.40927 371.2312 33.54236 371.7133 29.57288 372.1954 26.31436 372.6776 24.31390 373.1597 22.42267 373.6418 19.76166 374.1239 16.62772 374.6060 14.00974 375.0881 12.69733 375.5703 12.57718 376.0524 11.99753 376.5345 10.87134 377.0166 9.597656 377.4987 8.042999 377.9808 6.443604 378.4630 5.148804 378.9451 4.356689 379.4272 3.931763 379.9093 3.550842 380.3914 3.443604 380.8735 2.839783 381.3557 0.9617610 381.8378 0.8652340 382.3199 1.499207 382.8020 0.9001460 383.2841 2.0354999E-02 383.7662 0.2290650 384.2484 0.3807370 384.7305 0.6011660 385.2126 0.1509400 385.6947 0.4828490 386.1768 1.036621 386.6589 1.582947 387.1411 2.453308 387.6232 3.984314 388.1053 5.742798 388.5874 6.134338 389.0695 4.352478 389.5516 2.953552 390.0338 2.312012 390.5159 2.135010 390.9980 2.460449 391.4801 3.457153 391.9622 4.750061 392.4443 5.682312 392.9265 6.114624 393.4086 6.693176 393.8907 7.656311 394.3728 8.752075 394.8549 9.681274 395.3370 10.47437 395.8192 11.43677 396.3013 12.98108 396.7834 14.84369 397.2655 16.01740 397.7476 16.17407 398.2297 16.48785 398.7119 17.81091 399.1940 19.58887 399.6761 21.14557 400.1582 22.32214 400.6403 23.20844 401.1224 23.67511 401.6046 23.77515 402.0867 24.35034 402.5688 25.91760 403.0509 27.77521 403.5330 28.92816 404.0151 29.34839 404.4973 30.17212 404.9794 32.29144 405.4615 35.02521 405.9436 37.24097 406.4257 38.78845 406.9078 39.87347 407.3900 40.51300 407.8721 40.76868 408.3542 41.04175 408.8363 41.06750 409.3184 41.38007 409.8005 42.47009 410.2827 44.16931 410.7648 45.87317 411.2469 47.31219 411.7290 48.60992 412.2111 50.05383 412.6932 51.74768 413.1754 53.30127 413.6575 54.35541 414.1396 55.38641 414.6217 57.07544 415.1038 59.46814 415.5859 61.83594 416.0681 63.44818 416.5502 64.23090 417.0323 64.94360 417.5144 65.18677 417.9965 65.77667 418.4786 67.19519 418.9608 69.18390 419.4429 71.30621 419.9250 73.35083 420.4071 75.25952 420.8892 76.86298 421.3713 77.94885 421.8535 79.01923 422.3356 80.29950 422.8177 81.44098 423.2998 81.86493 423.7819 81.69073 424.2640 81.85858 424.7462 83.53754 425.2283 86.90314 425.7104 89.25415 426.1925 89.27814 426.6746 89.67365 427.1567 91.57318 427.6389 94.26233 428.1210 96.55640 428.6031 97.85748 429.0852 98.63135 429.5673 99.75024 430.0494 101.2272 430.5316 103.0087 431.0137 105.3465 431.4958 107.8111 431.9779 110.2521 432.4600 112.6176 432.9421 114.6589 433.4243 115.9326 433.9064 116.6708 434.3885 117.9237 434.8706 119.8829 435.3527 122.0409 435.8348 124.1376 436.3170 126.2059 436.7991 128.3298 437.2812 130.5478 437.7633 132.7831 438.2454 134.9733 438.7275 137.1248 439.2097 139.1221 439.6918 140.6453 440.1739 142.3844 440.6560 145.5438 441.1381 150.1764 441.6202 154.8902 442.1024 159.4636 442.5845 163.8201 443.0666 167.6495 443.5487 170.9908 444.0308 174.5433 444.5129 178.9636 444.9951 184.0851 445.4772 188.4998 445.9593 191.7474 446.4414 194.9156 446.9235 198.8492 447.4056 202.7617 447.8878 205.4874 448.3699 206.6322 448.8520 206.6157 449.3341 206.1158 449.8162 205.4522 450.2983 203.2165 450.7805 198.6362 451.2626 193.4650 451.7447 188.5162 452.2268 183.7457 452.7089 178.7188 453.1910 173.1547 453.6732 167.1578 454.1553 161.1320 454.6374 154.5505 455.1195 148.8943 455.6016 144.9728 456.0837 141.5781 456.5659 137.5886 457.0480 132.8265 457.5301 128.2516 458.0122 124.9374 458.4943 122.8484 458.9764 120.8412 459.4586 119.0869 459.9407 117.0911 460.4228 114.2353 460.9049 111.0562 461.3870 108.5303 461.8691 107.0950 462.3513 106.2892 462.8334 105.8513 463.3155 105.7480 463.7976 105.0455 464.2797 103.1599 464.7618 100.8969 465.2440 99.24890 465.7261 98.20508 466.2082 97.37109 466.6903 96.52899 467.1724 95.86639 467.6545 95.75659 468.1367 96.18414 468.6188 96.57806 469.1009 96.63940 469.5830 96.33087 470.0651 95.45667 470.5472 92.90259 471.0294 91.26611 471.5115 92.11932 471.9936 93.87567 472.4757 94.46729 472.9578 93.38251 473.4399 91.59766 473.9221 90.28998 474.4042 89.63129 474.8863 88.43207 475.3684 86.52557 475.8505 84.31348 476.3326 81.61261 476.8148 78.78717 477.2969 76.40265 477.7790 74.74915 478.2611 73.56049 478.7432 72.33569 479.2253 71.14612 479.7075 69.73712 480.1896 67.88300 480.6717 65.97687 481.1538 64.22693 481.6359 62.62903 482.1180 61.04578 482.6002 59.26410 483.0823 57.47223 483.5644 56.30176 484.0465 55.99683 484.5286 55.46405 485.0107 53.93115 485.4929 52.05219 485.9750 50.60388 486.4571 49.73499 486.9392 48.99231 487.4213 48.07782 487.9034 47.10468 488.3856 46.35980 488.8677 45.90472 489.3498 45.51654 489.8319 44.92078 490.3140 44.15576 490.7961 43.82996 491.2783 44.82434 491.7604 45.25787 492.2425 43.59735 492.7246 40.95105 493.2067 39.46472 493.6888 39.89874 494.1710 41.24237 494.6531 41.95520 495.1352 41.75037 495.6173 41.86603 496.0994 43.01483 496.5815 43.76562 497.0637 43.22076 497.5458 41.73767 498.0279 40.06250 498.5100 38.56696 498.9921 37.40491 499.4742 37.11359 499.9564 38.39062 500.4385 38.73059 500.9206 36.43402 501.4027 34.11542 501.8848 33.71234 502.3669 34.99133 502.8491 36.06696 503.3312 35.42822 503.8133 33.74939 504.2954 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