#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:43:43 +0300 (Thu, 07 Jun 2018) $ #$Revision: 961 $ #$URL: svn://172.16.1.111/rod/cif/2/31/00/2310011.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_2310011 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 other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _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 2310011 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 198.4863 0.0000000E+00 198.9684 0.4553220 199.4506 0.4628910 199.9327 3.715820 200.4148 8.401123 200.8969 14.05054 201.3790 20.67261 201.8611 27.11353 202.3433 33.23413 202.8254 39.15723 203.3075 42.16675 203.7896 41.18652 204.2717 37.73242 204.7538 35.33789 205.2360 33.83301 205.7181 33.57837 206.2002 35.17480 206.6823 38.93994 207.1644 41.77026 207.6465 43.00488 208.1287 43.24121 208.6108 44.75708 209.0929 48.11157 209.5750 51.07739 210.0571 52.22900 210.5392 51.40308 211.0214 49.64551 211.5035 46.76904 211.9856 43.17871 212.4677 39.74756 212.9498 35.67017 213.4319 33.76489 213.9140 36.67480 214.3962 46.48633 214.8783 53.88452 215.3604 57.54980 215.8425 58.33032 216.3246 59.18164 216.8067 60.07715 217.2889 61.07983 217.7710 62.28711 218.2531 63.81128 218.7352 64.93481 219.2173 65.11035 219.6994 64.76758 220.1816 65.97632 220.6637 69.05591 221.1458 73.01343 221.6279 77.43408 222.1100 83.19702 222.5921 87.21216 223.0743 89.43994 223.5564 89.79834 224.0385 87.20850 224.5206 78.82788 225.0027 72.13721 225.4848 72.98901 225.9670 87.00708 226.4491 94.89990 226.9312 93.30640 227.4133 84.39526 227.8954 78.50293 228.3775 77.03296 228.8597 76.67651 229.3418 75.55664 229.8239 73.61621 230.3060 70.80078 230.7881 66.02515 231.2702 60.14722 231.7524 57.75806 232.2345 60.37793 232.7166 64.09644 233.1987 66.71362 233.6808 68.18750 234.1629 68.30811 234.6451 66.30005 235.1272 62.83716 235.6093 60.96069 236.0914 61.28369 236.5735 62.31274 237.0556 63.54077 237.5378 66.19092 238.0199 66.43481 238.5020 63.27612 238.9841 57.65649 239.4662 53.12476 239.9483 49.50391 240.4305 47.44482 240.9126 47.79883 241.3947 53.07153 241.8768 55.30664 242.3589 52.84033 242.8410 47.23877 243.3232 44.59619 243.8053 42.46948 244.2874 43.24243 244.7695 48.63867 245.2516 63.81567 245.7337 71.70630 246.2159 68.99707 246.6980 59.21069 247.1801 53.83740 247.6622 54.42725 248.1443 56.85742 248.6264 59.39136 249.1086 62.52466 249.5907 64.55884 250.0728 65.26953 250.5549 64.96411 251.0370 64.20020 251.5191 62.02197 252.0013 61.05640 252.4834 62.78003 252.9655 68.51904 253.4476 73.67871 253.9297 78.62402 254.4118 82.89062 254.8940 85.37109 255.3761 85.28589 255.8582 84.89844 256.3403 84.36597 256.8224 84.01733 257.3046 84.56348 257.7867 86.09155 258.2688 88.10938 258.7509 88.78076 259.2330 87.04150 259.7151 85.89014 260.1973 86.55859 260.6794 89.33667 261.1615 92.70288 261.6436 97.92529 262.1257 102.6416 262.6078 102.0369 263.0900 93.56494 263.5721 86.31274 264.0542 83.97119 264.5363 87.89771 265.0184 87.90869 265.5005 82.27759 265.9827 75.08740 266.4648 72.50928 266.9469 76.41553 267.4290 79.15869 267.9111 78.22241 268.3932 73.40161 268.8754 67.80542 269.3575 60.42578 269.8396 53.81567 270.3217 51.93164 270.8038 55.99072 271.2859 60.12744 271.7681 61.70532 272.2502 60.70947 272.7323 61.57593 273.2144 65.06055 273.6965 69.30664 274.1786 72.92651 274.6608 76.41309 275.1429 76.88281 275.6250 72.79688 276.1071 65.00879 276.5892 58.70264 277.0714 53.70801 277.5535 50.47852 278.0356 50.66895 278.5177 54.81689 278.9998 56.23560 279.4819 52.27954 279.9641 44.77173 280.4462 42.86987 280.9283 47.94067 281.4104 52.67725 281.8925 50.25757 282.3746 40.59180 282.8568 32.09961 283.3389 26.38696 283.8210 22.69214 284.3031 18.77417 284.7852 14.62451 285.2673 11.17285 285.7495 10.31885 286.2316 11.72485 286.7137 9.004150 287.1958 0.5947270 287.6779 11.70044 288.1600 11.24268 288.6422 0.9582520 289.1243 12.55786 289.6064 14.57300 290.0885 8.713379 290.5706 3.167725 291.0527 1.892822 291.5349 5.311523 292.0170 3.983398 292.4991 1.572266 292.9812 6.503906 293.4633 6.869629 293.9454 4.350586 294.4276 4.662598 294.9097 8.492188 295.3918 13.42578 295.8739 16.95068 296.3560 19.08936 296.8381 20.10840 297.3203 20.21973 297.8024 19.28320 298.2845 16.23340 298.7666 10.79492 299.2487 5.936035 299.7308 5.038574 300.2130 7.182617 300.6951 9.700195 301.1772 11.61182 301.6593 13.21484 302.1414 15.14795 302.6235 17.35107 303.1057 19.11182 303.5878 19.26123 304.0699 18.57812 304.5520 18.57227 305.0341 20.78906 305.5162 22.93799 305.9984 22.37695 306.4805 19.38037 306.9626 15.83887 307.4447 12.01367 307.9268 8.736328 308.4089 7.394531 308.8911 9.637695 309.3732 11.91553 309.8553 10.70654 310.3374 6.971680 310.8195 3.952148 311.3016 4.826660 311.7838 6.540039 312.2659 6.108887 312.7480 2.036133 313.2301 2.097168 313.7122 5.540039 314.1943 7.550781 314.6765 6.485840 315.1586 2.771973 315.6407 12.25391 316.1228 16.57080 316.6049 13.99023 317.0870 10.67920 317.5692 8.563965 318.0513 7.571777 318.5334 7.613770 319.0155 11.42090 319.4976 13.91260 319.9797 11.53320 320.4619 3.481445 320.9440 2.047363 321.4261 5.2246001E-02 321.9082 4.462891 322.3903 6.749512 322.8724 2.979492 323.3546 0.3764650 323.8367 1.498535 324.3188 0.4340820 324.8009 0.6577150 325.2830 2.383789 325.7651 3.497070 326.2473 3.229980 326.7294 1.938477 327.2115 1.148926 327.6936 8.657715 328.1757 18.79248 328.6578 23.18945 329.1400 16.70508 329.6221 8.556152 330.1042 2.489258 330.5863 0.6083980 331.0684 3.187500 331.5505 5.467773 332.0327 7.091797 332.5148 7.031738 332.9969 2.953125 333.4790 1.9530000E-03 333.9611 0.4125980 334.4432 1.511230 334.9254 6.803223 335.4075 18.40283 335.8896 30.88330 336.3717 35.34717 336.8538 27.13818 337.3359 20.95703 337.8180 22.27930 338.3001 31.18066 338.7823 34.50391 339.2644 30.32617 339.7465 23.83984 340.2286 20.35107 340.7107 20.39844 341.1928 22.26025 341.6750 26.66113 342.1571 32.21973 342.6392 33.54980 343.1213 30.18555 343.6034 25.52197 344.0855 21.08252 344.5677 16.98779 345.0498 16.08252 345.5319 19.33154 346.0140 24.50342 346.4961 25.91602 346.9782 23.42578 347.4604 22.75244 347.9425 28.86963 348.4246 39.72607 348.9067 47.34277 349.3888 50.90674 349.8709 52.95264 350.3531 56.85889 350.8352 61.78662 351.3173 64.95996 351.7994 62.70605 352.2815 58.76123 352.7636 59.70068 353.2458 65.48096 353.7279 72.86523 354.2100 79.93311 354.6921 86.55664 355.1742 92.67383 355.6563 99.65674 356.1385 104.6646 356.6206 103.2275 357.1027 96.61621 357.5848 91.25928 358.0669 92.34619 358.5490 95.81641 359.0312 97.75439 359.5133 96.90283 359.9954 95.73633 360.4775 94.91650 360.9596 94.90137 361.4417 96.59766 361.9239 104.3477 362.4060 110.9648 362.8881 111.3130 363.3702 103.3740 363.8523 97.38477 364.3344 98.82861 364.8166 103.2290 365.2987 105.5151 365.7808 102.7769 366.2629 99.45410 366.7450 97.02783 367.2271 95.50000 367.7093 92.48242 368.1914 84.69238 368.6735 77.14307 369.1556 73.09570 369.6377 76.54199 370.1198 78.58105 370.6020 77.76855 371.0841 74.96582 371.5662 74.11523 372.0483 79.16309 372.5304 81.54443 373.0125 76.87061 373.4947 60.20801 373.9768 49.67383 374.4589 48.03564 374.9410 50.20020 375.4231 47.64795 375.9052 38.42773 376.3874 30.17480 376.8695 25.53271 377.3516 24.44922 377.8337 22.96777 378.3158 20.92090 378.7979 19.05664 379.2801 18.63574 379.7622 19.72949 380.2443 21.62891 380.7264 25.09326 381.2085 28.49219 381.6906 27.02881 382.1728 20.69189 382.6549 13.97559 383.1370 9.129395 383.6191 6.149414 384.1012 5.830566 384.5833 8.522949 385.0655 12.37256 385.5476 15.50391 386.0297 17.55127 386.5118 17.99805 386.9939 15.93799 387.4760 13.27344 387.9582 13.11279 388.4403 15.42871 388.9224 17.09277 389.4045 14.65723 389.8866 10.23584 390.3687 6.847168 390.8509 6.373047 391.3330 6.281738 391.8151 5.369141 392.2972 3.751465 392.7793 1.345215 393.2614 4.275879 393.7436 9.331055 394.2257 10.71387 394.7078 6.114258 395.1899 2.257813 395.6720 2.933594 396.1541 5.681641 396.6363 6.513184 397.1184 1.696777 397.6005 2.553711 398.0826 3.378418 398.5647 3.4179999E-03 399.0468 1.300293 399.5290 2.991699 400.0111 7.938477 400.4932 9.531250 400.9753 4.073242 401.4574 0.2646480 401.9395 0.5195310 402.4217 1.093750 402.9038 2.066895 403.3859 2.011719 403.8680 1.932129 404.3501 2.315918 404.8322 3.259766 405.3144 4.327148 405.7965 5.535645 406.2786 6.794922 406.7607 7.861816 407.2428 8.639160 407.7249 9.711914 408.2071 11.26074 408.6892 13.24463 409.1713 15.39795 409.6534 17.71387 410.1355 20.19092 410.6176 23.22412 411.0998 26.57617 411.5819 28.38525 412.0640 27.26221 412.5461 26.14014 413.0282 32.61377 413.5103 44.88818 413.9925 52.65869 414.4746 44.99805 414.9567 30.66553 415.4388 24.27148 415.9209 27.63574 416.4030 32.26221 416.8852 30.54102 417.3673 25.43359 417.8494 21.77344 418.3315 24.47900 418.8136 26.78662 419.2957 22.37256 419.7779 12.63867 420.2600 6.432617 420.7421 10.88037 421.2242 18.65820 421.7063 24.27441 422.1884 25.53711 422.6706 27.22412 423.1527 31.29395 423.6348 36.52734 424.1169 40.63135 424.5990 43.60449 425.0811 45.08398 425.5633 44.08350 426.0454 39.87354 426.5275 37.90234 427.0096 37.69678 427.4917 39.95117 427.9738 45.74658 428.4560 57.91699 428.9381 67.44336 429.4202 72.92334 429.9023 74.99463 430.3844 75.77344 430.8665 74.67529 431.3487 73.90723 431.8308 74.26123 432.3129 75.69189 432.7950 79.60742 433.2771 86.54932 433.7592 94.67041 434.2414 101.7783 434.7235 107.9824 435.2056 114.2603 435.6877 121.1079 436.1698 128.1455 436.6519 134.2881 437.1341 139.6548 437.6162 145.7373 438.0983 154.9175 438.5804 165.3677 439.0625 173.1226 439.5446 176.3643 440.0268 180.8701 440.5089 193.0146 440.9910 210.2295 441.4731 226.9995 441.9552 241.3145 442.4373 254.2397 442.9195 265.1177 443.4016 274.0757 443.8837 286.0879 444.3658 306.0703 444.8479 328.2900 445.3300 348.0537 445.8122 364.4009 446.2943 378.4175 446.7764 388.2925 447.2585 395.9316 447.7406 406.2681 448.2227 426.4790 448.7049 442.5776 449.1870 449.5869 449.6691 445.5977 450.1512 444.2134 450.6333 448.3965 451.1154 451.7988 451.5976 447.9858 452.0797 435.0566 452.5618 422.9995 453.0439 413.4175 453.5260 405.4121 454.0081 396.6777 454.4903 387.4541 454.9724 377.0718 455.4545 362.6938 455.9366 345.4404 456.4187 334.4653 456.9008 330.8696 457.3830 329.3657 457.8651 324.4893 458.3472 316.4473 458.8293 305.8979 459.3114 290.6562 459.7935 275.1523 460.2757 266.2441 460.7578 262.7998 461.2399 258.4897 461.7220 246.8315 462.2041 233.9653 462.6862 226.1152 463.1684 224.7427 463.6505 224.2749 464.1326 223.8623 464.6147 222.7930 465.0968 219.8838 465.5789 211.3540 466.0611 204.7588 466.5432 203.9062 467.0253 207.9863 467.5074 209.0049 467.9895 203.0273 468.4716 196.7246 468.9538 193.2354 469.4359 193.5708 469.9180 194.6030 470.4001 197.0186 470.8822 199.5845 471.3643 200.7314 471.8465 200.7358 472.3286 197.9741 472.8107 190.3042 473.2928 179.3472 473.7749 175.5083 474.2570 180.0469 474.7392 185.0181 475.2213 184.0474 475.7034 177.9756 476.1855 172.7671 476.6676 169.2427 477.1497 165.7671 477.6319 161.1440 478.1140 155.7080 478.5961 150.0073 479.0782 143.2104 479.5603 136.0571 480.0424 129.9819 480.5246 124.9629 481.0067 120.0718 481.4888 113.8052 481.9709 107.7847 482.4530 103.5317 482.9352 101.7124 483.4173 100.6099 483.8994 100.1016 484.3815 99.69922 484.8636 98.67334 485.3457 98.53320 485.8279 96.00684 486.3100 88.36377 486.7921 75.63818 487.2742 67.65088 487.7563 68.19824 488.2384 69.70654 488.7206 67.72900 489.2027 60.21582 489.6848 55.06055 490.1669 52.83057 490.6490 52.58154 491.1311 53.33545 491.6133 55.28174 492.0954 56.00098 492.5775 53.77393 493.0596 49.94580 493.5417 50.01953 494.0238 53.97363 494.5060 58.70898 494.9881 63.31934 495.4702 66.74268 495.9523 65.50146 496.4344 58.08643 496.9165 50.53320 497.3987 49.08984 497.8808 51.78564 498.3629 54.95605 498.8450 59.63867 499.3271 62.19482 499.8092 58.83936 500.2914 50.63232 500.7735 43.42822 501.2556 39.74463 501.7377 37.58984 502.2198 36.14600 502.7019 36.17773 503.1841 34.82959 503.6662 30.19775 504.1483 24.72559 504.6304 21.23389 505.1125 20.27637 505.5946 20.48828 506.0768 22.03906 506.5589 24.60693 507.0410 26.90918 507.5231 29.24170 508.0052 30.34131 508.4873 28.97412 508.9695 25.13086 509.4516 22.12793 509.9337 19.63721 510.4158 18.44092 510.8979 20.53857 511.3800 24.97607 511.8622 27.30420 512.3443 25.78516 512.8264 22.43262 513.3085 18.86572 513.7906 15.52490 514.2728 13.94092 514.7549 17.83301 515.2370 22.34521 515.7191 22.76416 516.2012 18.29248 516.6833 12.52148 517.1655 6.058105 517.6476 2.4410000E-03 518.1297 4.836426 518.6118 7.577637 519.0939 9.906738 519.5760 13.47070 520.0582 16.70215 520.5403 15.94141 521.0224 7.521973 521.5045 0.2924800 521.9866 3.230957 522.4688 3.026367 522.9509 1.848145 523.4330 1.178223 523.9151 3.324707 524.3972 2.043945 524.8793 2.701660 525.3615 6.959961 525.8436 10.29932 526.3257 13.24023 526.8078 17.19336 527.2899 21.64209 527.7720 24.00830 528.2542 22.23926 528.7363 18.59473 529.2184 15.33887 529.7005 12.64990 530.1826 11.39062 530.6647 14.26855 531.1469 17.54443 531.6290 17.92871 532.1111 14.61816 532.5932 10.33545 533.0753 4.428711 533.5574 1.080078 534.0396 4.010742 534.5217 0.1435550 535.0038 2.110352 535.4859 1.415527 535.9680 8.127930 536.4501 10.55225 536.9323 6.303223 537.4144 1.791992 537.8965 0.5820310 538.3786 0.7285160 538.8607 1.252930 539.3428 2.207520 539.8250 3.155273 540.3071 2.939941 540.7892 1.836914 541.2713 3.552734 541.7534 9.417969 542.2355 15.97852 542.7177 18.18457 543.1998 17.02393 543.6819 15.55273 544.1640 16.11914 544.6461 16.39209 545.1282 12.86084 545.6104 6.388672 546.0925 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972.7657 118.0273 973.2478 128.6387 973.7299 141.6914 974.2120 157.7856 974.6942 176.9985 975.1763 199.5171 975.6584 227.3208 976.1405 260.9067 976.6226 299.2056 977.1047 342.2598 977.5869 389.2407 978.0690 436.3267 978.5511 483.8525 979.0332 534.5771 979.5153 590.5415 979.9974 649.3169 980.4796 710.3525 980.9617 773.2124 981.4438 836.1724 981.9259 896.4878 982.4080 967.7856 982.8901 1051.794 983.3723 1144.268 983.8544 1239.776 984.3365 1348.465 984.8186 1456.356 985.3007 1586.133 985.7828 1715.796 986.2650 1853.615 986.7471 1975.974 987.2292 2081.161 987.7113 2164.276 988.1934 2202.538 988.6755 2196.207 989.1577 2132.721 989.6398 1996.773 990.1219 1819.814 990.6040 1621.016 991.0861 1413.194 991.5682 1217.915 992.0504 1032.808 992.5325 875.2881 993.0146 747.5171 993.4967 643.1289 993.9788 556.7427 994.4609 487.3032 994.9431 425.0825 995.4252 369.6001 995.9073 321.2183 996.3894 280.6333 996.8715 245.8462 997.3536 215.0874 997.8358 188.7197 998.3179 166.6509 998.8000 148.3691 999.2821 135.4692 999.7642 130.5820 1000.246 128.6831 1000.728 119.5000 1001.211 105.5659 1001.693 93.86719 1002.175 88.76074 1002.657 82.34814 1003.139 66.33643 1003.621 50.82715 1004.103 46.36572 1004.585 56.25293 1005.068 56.34424 1005.550 45.50195 1006.032 35.62256 1006.514 37.52051 1006.996 44.23682 1007.478 47.94824 1007.960 48.51855 1008.442 47.60254 1008.924 44.52197 1009.407 41.30762 1009.889 38.44336 1010.371 35.51807 1010.853 31.44629 1011.335 26.43896 1011.817 22.14990 1012.299 19.21826 1012.781 16.30811 1013.263 11.44189 1013.746 6.909180 1014.228 5.319824 1014.710 7.600098 1015.192 9.340820 1015.674 10.70215 1016.156 11.20752 1016.638 9.922363 1017.120 7.774902 1017.603 6.889648 1018.085 7.365234 1018.567 7.668457 1019.049 6.024414 1019.531 4.815918 1020.013 4.365723 1020.495 4.702637 1020.977 6.143066 1021.459 8.625000 1021.942 11.34033 1022.424 14.32666 1022.906 16.23291 1023.388 16.12744 1023.870 14.24658 1024.352 10.35742 1024.834 4.370605 1025.316 0.7143550 1025.799 5.119629 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