#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:02:13 +0300 (Thu, 26 Apr 2018) $ #$Revision: 619 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000156.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_1000156 loop_ _publ_author_name 'Yakovenchuk, V. N.' 'Keck, E.' 'Krivovichev, S. V.' 'Pakhomovsky, Y. A.' 'Selivanova, E. A.' 'Mikhailova, J. A.' 'Chernyatieva, A. P.' 'Ivanyuk, G. Y.' _publ_section_title ; Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 2761 _journal_page_last 2771 _journal_paper_doi 10.1180/minmag.2012.076.7.09 _journal_volume 76 _journal_year 2012 _chemical_compound_source 'Hagendorf-Sud granitic pegmatite, Germany' _chemical_formula_sum 'Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07' _chemical_name_mineral Whiteite-(CaMnMn) _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2ya' _symmetry_space_group_name_H-M 'P 1 2/a 1' _cell_angle_alpha 90 _cell_angle_beta 111.740 _cell_angle_gamma 90 _cell_length_a 15.020 _cell_length_b 6.959 _cell_length_c 10.137 _cell_volume 984.199 _exptl_crystal_density_diffrn 2.774 _cod_original_cell_volume 984.200 _cod_original_formula_sum '(Ca.93 Zn.07) Mn2.96 Mg.04 (Al1.84 Fe.16) P4 O26 H18' _cod_database_code 9015830 _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 R130055.rod _rod_data_source.block 3500000 _rod_database.code 1000156 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 9015830 COD http://www.crystallography.net/cod/9015830.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 101.3240 0.0000000E+00 101.8061 0.3843380 102.2883 0.5249480 102.7704 0.4271850 103.2525 0.3170010 103.7346 0.5870670 104.2167 0.9455260 104.6988 1.484421 105.1810 2.355347 105.6631 3.927521 106.1452 4.471527 106.6273 4.631149 107.1094 4.450226 107.5915 3.897766 108.0737 3.155441 108.5558 2.087769 109.0379 0.8672490 109.5200 8.7996997E-02 110.0021 0.2735900 110.4842 0.4622340 110.9664 1.034729 111.4485 1.384644 111.9306 1.703903 112.4127 2.091553 112.8948 2.561310 113.3769 3.024246 113.8591 3.375824 114.3412 3.509186 114.8233 3.477615 115.3054 3.214249 115.7875 2.911568 116.2696 2.769859 116.7517 2.896759 117.2339 3.187424 117.7160 3.300522 118.1981 3.100861 118.6802 2.988068 119.1623 3.212334 119.6444 3.638397 120.1266 3.916588 120.6087 3.904938 121.0908 3.699692 121.5729 3.552567 122.0550 3.533958 122.5371 3.404831 123.0193 3.346024 123.5014 3.449112 123.9835 3.559563 124.4656 3.587715 124.9477 3.453476 125.4298 3.258080 125.9120 3.032257 126.3941 2.684875 126.8762 2.687523 127.3583 3.413414 127.8404 3.900566 128.3225 3.722542 128.8047 3.281281 129.2868 2.928383 129.7689 2.688942 130.2510 2.726540 130.7331 2.723953 131.2152 2.592087 131.6974 2.369598 132.1795 2.049126 132.6616 1.673576 133.1437 1.391594 133.6258 1.394295 134.1079 1.750092 134.5901 1.964943 135.0722 2.059822 135.5543 2.032471 136.0364 1.785057 136.5185 1.339111 137.0006 0.9060360 137.4828 0.7517470 137.9649 0.9151150 138.4470 1.067551 138.9291 1.232628 139.4112 1.367157 139.8933 1.444672 140.3755 1.481285 140.8576 1.417503 141.3397 1.042168 141.8218 0.3838120 142.3039 9.2873000E-02 142.7860 5.0269999E-02 143.2681 0.3596040 143.7503 0.5680160 144.2324 0.3560180 144.7145 7.7590002E-03 145.1966 0.2328720 145.6787 0.3633880 146.1608 0.4382550 146.6430 0.5085680 147.1251 0.5614550 147.6072 0.5384060 148.0893 0.3080290 148.5714 8.4174998E-02 149.0535 4.1374002E-02 149.5357 0.2021180 150.0178 0.3698650 150.4999 0.1919330 150.9820 0.6356280 151.4641 1.131813 151.9462 1.044937 152.4284 0.7376630 152.9105 0.4711840 153.3926 0.3485570 153.8747 0.3581620 154.3568 0.4941100 154.8389 1.215225 155.3211 1.499413 155.8032 0.7612610 156.2853 0.2828670 156.7674 0.6453780 157.2495 0.2059170 157.7316 1.858841 158.2138 2.572792 158.6959 1.724388 159.1780 1.041870 159.6601 0.4787290 160.1422 8.5068002E-02 160.6243 1.1009000E-02 161.1065 0.4425660 161.5886 1.210266 162.0707 1.552979 162.5528 1.033455 163.0349 0.5465930 163.5170 0.7294770 163.9991 1.515358 164.4813 2.210991 164.9634 2.352371 165.4455 2.098145 165.9276 1.843071 166.4097 1.536827 166.8918 1.307571 167.3740 1.361420 167.8561 1.786049 168.3382 2.197098 168.8203 2.236847 169.3024 2.106102 169.7845 2.048363 170.2667 2.182571 170.7488 2.429169 171.2309 2.635696 171.7130 2.884865 172.1951 2.914268 172.6772 2.417099 173.1594 1.709778 173.6415 1.252571 174.1236 1.360146 174.6057 1.937164 175.0878 2.401131 175.5699 2.639992 176.0521 2.882149 176.5342 3.213142 177.0163 3.592247 177.4984 3.951172 177.9805 4.251869 178.4626 4.493942 178.9448 4.570091 179.4269 4.226662 179.9090 3.965813 180.3911 4.019409 180.8732 4.299332 181.3553 4.558395 181.8375 4.578865 182.3196 4.328842 182.8017 4.136673 183.2838 4.022934 183.7659 3.930450 184.2480 3.820709 184.7301 3.703583 185.2123 3.635391 185.6944 3.677429 186.1765 3.849739 186.6586 3.912674 187.1407 3.838516 187.6228 3.682358 188.1050 3.440102 188.5871 3.119812 189.0692 2.825371 189.5513 2.646515 190.0334 2.589394 190.5155 2.647430 190.9977 3.076340 191.4798 3.508125 191.9619 3.412071 192.4440 2.632835 192.9261 1.813065 193.4082 1.671883 193.8904 2.016472 194.3725 2.327652 194.8546 2.479797 195.3367 2.490593 195.8188 2.370926 196.3009 2.072578 196.7831 1.744576 197.2652 1.445900 197.7473 1.191772 198.2294 1.053032 198.7115 1.100296 199.1936 1.292435 199.6758 1.492432 200.1579 1.756912 200.6400 1.941483 201.1221 1.865288 201.6042 1.635536 202.0863 1.547493 202.5685 1.929077 203.0506 2.731689 203.5327 3.148384 204.0148 2.831352 204.4969 2.463234 204.9790 2.253494 205.4612 2.206337 205.9433 2.292473 206.4254 2.520599 206.9075 2.893768 207.3896 3.074631 207.8717 2.754471 208.3539 2.536316 208.8360 2.644745 209.3181 3.017525 209.8002 3.512070 210.2823 4.056778 210.7644 4.705070 211.2466 4.888840 211.7287 4.123062 212.2108 3.397186 212.6929 3.089195 213.1750 3.180649 213.6571 3.477455 214.1393 3.824066 214.6214 4.274734 215.1035 4.475029 215.5856 4.237144 216.0677 3.922897 216.5498 3.663208 217.0320 3.480461 217.5141 3.353615 217.9962 3.244148 218.4783 3.143684 218.9604 3.343071 219.4425 4.177536 219.9247 5.002014 220.4068 5.429543 220.8889 5.449242 221.3710 5.245567 221.8531 4.905060 222.3352 4.423866 222.8174 4.227577 223.2995 4.608711 223.7816 5.053963 224.2637 5.119347 224.7458 4.796364 225.2279 4.485443 225.7100 4.546356 226.1922 4.933685 226.6743 5.205391 227.1564 5.222244 227.6385 5.184364 228.1206 5.266907 228.6027 5.478203 229.0849 5.761719 229.5670 6.204842 230.0491 6.684334 230.5312 6.858322 231.0133 6.376221 231.4954 5.724068 231.9776 5.486031 232.4597 5.713959 232.9418 6.007736 233.4239 6.094757 233.9060 6.086830 234.3881 6.152069 234.8703 6.337517 235.3524 6.606926 235.8345 6.963776 236.3166 7.461075 236.7987 7.837555 237.2808 7.846886 237.7630 7.683174 238.2451 7.568222 238.7272 7.594872 239.2093 7.663925 239.6914 7.619865 240.1735 7.445473 240.6557 7.201202 241.1378 6.853531 241.6199 6.477066 242.1020 6.139282 242.5841 5.864296 243.0662 5.632957 243.5484 5.412758 244.0305 5.198921 244.5126 5.017052 244.9947 4.850044 245.4768 4.727432 245.9589 4.706459 246.4410 4.807228 246.9232 4.938164 247.4053 4.936005 247.8874 4.756065 248.3695 4.573387 248.8516 4.448318 249.3337 4.323074 249.8159 4.102386 250.2980 3.763939 250.7801 3.450417 251.2622 3.455345 251.7443 4.047325 252.2264 4.336243 252.7086 4.059586 253.1907 3.618698 253.6728 3.315983 254.1549 3.227608 254.6370 3.175098 255.1191 2.802628 255.6013 1.764397 256.0834 1.223843 256.5655 1.527660 257.0476 2.005196 257.5297 2.210594 258.0118 2.067539 258.4940 1.806213 258.9761 1.742069 259.4582 1.979897 259.9403 2.174412 260.4224 2.328392 260.9045 2.427410 261.3867 2.457512 261.8688 2.417027 262.3509 2.313324 262.8330 2.129597 263.3151 1.776539 263.7972 1.731121 264.2794 2.263184 264.7615 2.810337 265.2436 3.016888 265.7257 2.893467 266.2078 2.706287 266.6899 2.705837 267.1721 2.938358 267.6542 3.076340 268.1363 3.082073 268.6184 3.049809 269.1005 3.006508 269.5826 2.961033 270.0648 2.924469 270.5469 2.914078 271.0290 2.934593 271.5111 2.908360 271.9932 2.764309 272.4753 2.653187 272.9575 2.633385 273.4396 2.697418 273.9217 2.817768 274.4038 2.981689 274.8859 3.186874 275.3680 3.398407 275.8501 3.703758 276.3322 3.924805 276.8144 3.949371 277.2965 3.844280 277.7786 3.762260 278.2607 3.794323 278.7428 3.902184 279.2249 3.919155 279.7071 4.004616 280.1892 3.841705 280.6713 3.053436 281.1534 1.998589 281.6355 1.362629 282.1176 1.481079 282.5998 2.050438 283.0819 2.297955 283.5640 2.126469 284.0461 1.886066 284.5282 1.502632 285.0103 1.129097 285.4925 1.050243 285.9746 1.387321 286.4567 1.870953 286.9388 2.027096 287.4209 1.761463 287.9030 1.526833 288.3852 1.442768 288.8673 1.406372 289.3494 1.282314 289.8315 1.037262 290.3136 0.7563480 290.7957 0.5123600 291.2779 0.2941550 291.7600 0.2375680 292.2421 0.5957340 292.7242 0.9865490 293.2063 0.9515840 293.6884 0.4403460 294.1706 9.2045002E-02 294.6527 0.2038420 295.1348 0.1179390 295.6169 0.3376810 296.0990 0.3539770 296.5811 0.3226620 297.0633 0.3919870 297.5454 0.5547030 298.0275 0.6519890 298.5096 0.5294800 298.9917 0.2407000 299.4738 0.1309850 299.9560 0.3621560 300.4381 0.6220700 300.9202 0.7681690 301.4023 0.7984920 301.8844 0.6973460 302.3665 0.4045370 302.8487 9.6969996E-03 303.3308 0.2303500 303.8129 0.3324320 304.2950 0.2838630 304.7771 8.1749000E-02 305.2592 0.6141780 305.7414 0.8997840 306.2235 0.7424810 306.7056 0.3402820 307.1877 6.2827997E-02 307.6698 8.3812997E-02 308.1519 0.1824460 308.6341 0.2730100 309.1162 0.3297460 309.5983 0.2686810 310.0804 4.1119002E-02 310.5625 0.1868210 311.0446 0.1162530 311.5268 0.2742960 312.0089 0.4504470 312.4910 8.7817997E-02 312.9731 0.4420970 313.4552 0.6486820 313.9373 0.4513590 314.4195 0.2291680 314.9016 0.4116670 315.3837 0.9492800 315.8658 1.138802 316.3479 0.5645220 316.8300 0.1099210 317.3121 0.3179470 317.7943 9.9270001E-02 318.2764 0.1764140 318.7585 0.2908860 319.2406 0.2530670 319.7227 0.1667860 320.2048 5.8749998E-03 320.6870 0.1883660 321.1691 0.4100300 321.6512 0.6262250 322.1333 0.6557660 322.6154 0.3696140 323.0975 0.1055110 323.5797 0.4496770 324.0618 0.6795230 324.5439 0.7854390 325.0260 0.6693760 325.5081 0.4376950 325.9902 0.3023300 326.4724 0.3385510 326.9545 0.4628330 327.4366 0.5615230 327.9187 0.6418300 328.4008 0.6711460 328.8829 0.5494960 329.3651 0.4163400 329.8472 0.4388580 330.3293 0.6484640 330.8114 1.008812 331.2935 1.505749 331.7756 2.109108 332.2578 2.368801 332.7399 2.017750 333.2220 1.560631 333.7041 1.374218 334.1862 1.438061 334.6683 1.469086 335.1505 1.240623 335.6326 0.8154180 336.1147 0.6473460 336.5968 0.8772090 337.0789 1.179131 337.5610 1.471153 338.0432 1.746998 338.5253 1.948345 339.0074 2.018848 339.4895 2.026310 339.9716 2.209930 340.4537 2.793213 340.9359 3.128445 341.4180 2.927238 341.9001 2.470257 342.3822 2.085941 342.8643 1.869122 343.3464 1.791508 343.8286 1.822220 344.3107 1.988438 344.7928 2.206905 345.2749 2.594788 345.7570 2.951283 346.2391 3.108601 346.7213 3.064083 347.2034 2.920898 347.6855 2.755024 348.1676 2.562725 348.6497 2.459396 349.1318 2.530659 349.6140 2.592319 350.0961 2.537994 350.5782 2.411049 351.0603 2.332050 351.5424 2.380562 352.0245 2.507957 352.5067 2.507809 352.9888 2.166889 353.4709 1.977371 353.9530 2.155399 354.4351 2.453220 354.9172 2.548794 355.3994 2.335663 355.8815 2.004604 356.3636 1.877762 356.8457 2.059139 357.3278 2.251766 357.8099 2.551582 358.2920 2.793659 358.7741 2.836891 359.2563 2.688370 359.7384 2.464638 360.2205 2.262775 360.7026 2.071499 361.1847 2.008598 361.6668 2.277691 362.1490 2.467411 362.6311 2.352116 363.1132 2.061481 363.5953 1.881176 364.0774 1.994125 364.5595 2.313015 365.0417 2.467686 365.5238 2.322083 366.0059 2.183685 366.4880 2.133537 366.9701 2.086628 367.4522 1.932762 367.9344 1.650505 368.4165 1.346096 368.8986 1.200336 369.3807 1.264927 369.8628 1.316105 370.3449 1.454464 370.8271 1.522057 371.3092 1.391094 371.7913 1.091213 372.2734 0.7708780 372.7555 0.5678140 373.2376 0.4796980 373.7198 0.3457220 374.2019 3.3649001E-02 374.6840 0.2066350 375.1661 0.1502570 375.6482 0.7740970 376.1303 1.220257 376.6125 1.255226 377.0946 1.029713 377.5767 0.8520580 378.0588 0.6963040 378.5409 0.6544690 379.0230 0.9368550 379.5052 1.224884 379.9873 1.254429 380.4694 0.9903950 380.9515 0.6463780 381.4336 0.3855780 381.9157 0.2065810 382.3979 0.1142200 382.8800 0.1544990 383.3621 0.2305870 383.8442 0.2752300 384.3263 0.2970810 384.8084 0.3282890 385.2906 0.3971670 385.7727 0.4848670 386.2548 0.5861780 386.7369 0.7462040 387.2190 0.7490840 387.7011 0.2274930 388.1833 0.4632570 388.6654 0.7824210 389.1475 0.4857370 389.6296 6.0005002E-02 390.1117 5.6586999E-02 390.5938 9.7163998E-02 391.0760 0.2231600 391.5581 0.2230570 392.0402 0.1537510 392.5223 9.1968998E-02 393.0044 3.8077999E-02 393.4865 6.6990000E-03 393.9687 7.6370001E-02 394.4508 0.1292340 394.9329 6.2648997E-02 395.4150 0.1516530 395.8971 0.3502200 396.3792 0.4006650 396.8614 0.3002200 397.3435 0.1266370 397.8256 0.2179870 398.3077 0.5478360 398.7898 0.7701230 399.2719 0.8799630 399.7540 0.8533130 400.2361 0.6515690 400.7183 0.3478200 401.2004 0.1588550 401.6825 0.1174810 402.1646 0.1105160 402.6467 9.1522001E-02 403.1288 0.1093180 403.6110 0.2568020 404.0931 0.5446320 404.5752 0.8474690 405.0573 1.025551 405.5394 1.069221 406.0215 1.003498 406.5037 0.6424410 406.9858 0.3625410 407.4679 0.4141350 407.9500 0.7038230 408.4321 0.9765850 408.9142 1.075085 409.3964 1.031658 409.8785 0.9951860 410.3606 0.8805010 410.8427 0.8928640 411.3248 1.174835 411.8069 1.519733 412.2891 1.695831 412.7712 1.658772 413.2533 1.589256 413.7354 1.754204 414.2175 2.244438 414.6996 2.606438 415.1818 2.739082 415.6639 2.832138 416.1460 2.929741 416.6281 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