#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:00:22 +0300 (Thu, 26 Apr 2018) $ #$Revision: 591 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000131.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_1000131 loop_ _publ_author_name 'Leone, P.' 'Palvadeau, P.' 'Moelo, Y.' _publ_section_title ; Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium, fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10 ; _journal_name_full 'Chimie de l etat Solide et Cristallochimie' _journal_page_first 301 _journal_page_last 308 _journal_volume 3 _journal_year 2000 _chemical_compound_source 'Saint-Aubin-des-Chateaux, Loire-Atlantique, France' _chemical_formula_sum 'Al4 Ba0.08 Fe2.26 H4 Mg0.74 O26 P3.92 Sr1.92 V0.08' _chemical_name_mineral Lulzacite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 108.47 _cell_angle_beta 91.72 _cell_angle_gamma 97.44 _cell_length_a 5.457 _cell_length_b 9.131 _cell_length_c 9.769 _cell_volume 456.500 _exptl_crystal_density_diffrn 3.553 _cod_original_formula_sum '(Sr1.92 Ba.08) (P3.92 V.08) Fe2.26 Al4 Mg.74 O26 H4' _cod_database_code 9014177 _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 R110147.rod _rod_data_source.block 3500000 _rod_database.code 1000131 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 9014177 COD http://www.crystallography.net/cod/9014177.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 113.2988 0.0000000E+00 113.7809 0.2625320 114.2630 2.2760000E-02 114.7451 8.9180004E-03 115.2272 0.6654710 115.7094 1.844520 116.1915 2.578833 116.6736 2.403507 117.1557 2.301738 117.6378 2.676664 118.1199 3.434442 118.6021 4.183599 119.0842 4.560481 119.5663 4.534884 120.0484 4.808860 120.5305 5.542222 121.0126 6.449203 121.4948 7.278123 121.9769 7.991419 122.4590 8.708336 122.9411 9.765271 123.4232 11.03441 123.9053 11.84709 124.3875 11.77617 124.8696 11.08895 125.3517 10.47893 125.8338 9.986142 126.3159 9.525558 126.7980 8.968543 127.2802 8.365327 127.7623 7.894508 128.2444 7.678517 128.7265 7.733076 129.2086 7.786486 129.6907 8.026079 130.1729 8.130630 130.6550 7.913472 131.1371 7.375541 131.6192 6.690597 132.1013 6.034333 132.5834 5.437755 133.0656 4.942697 133.5477 4.123856 134.0298 3.196762 134.5119 2.384254 134.9940 2.083539 135.4761 1.949503 135.9583 1.830713 136.4404 1.769161 136.9225 1.949147 137.4046 2.084342 137.8867 2.171297 138.3688 2.458847 138.8510 2.864423 139.3331 3.228381 139.8152 3.541384 140.2973 4.030890 140.7794 4.350571 141.2615 4.264742 141.7437 3.860752 142.2258 3.451944 142.7079 3.479684 143.1900 3.802262 143.6721 4.030429 144.1542 4.165430 144.6364 4.144656 145.1185 3.843107 145.6006 3.209888 146.0827 2.672381 146.5648 2.534841 147.0469 2.574085 147.5291 2.599563 148.0112 2.581303 148.4933 2.476076 148.9754 2.151138 149.4575 1.404245 149.9396 0.7875280 150.4218 0.5351160 150.9039 0.4829940 151.3860 0.4008680 151.8681 0.1133260 152.3502 0.3122720 152.8323 1.5343000E-02 153.3145 6.9269999E-03 153.7966 6.7699000E-02 154.2787 0.3236920 154.7608 1.0923000E-02 155.2429 0.1830100 155.7250 5.4044999E-02 156.2072 0.2286800 156.6893 7.9699997E-03 157.1714 0.2422210 157.6535 0.1867250 158.1356 0.2108650 158.6177 0.1843180 159.0999 0.1522220 159.5820 0.4531810 160.0641 0.7287580 160.5462 0.7502370 161.0283 0.2618200 161.5104 0.2991720 161.9926 4.1777000E-02 162.4747 6.5249003E-02 162.9568 0.2231430 163.4389 0.2368620 163.9210 6.5407999E-02 164.4031 7.0358999E-02 164.8853 0.1915940 165.3674 0.3205570 165.8495 0.7002510 166.3316 0.9112330 166.8137 0.9785050 167.2958 0.8915730 167.7780 0.6801180 168.2601 0.4286710 168.7422 8.3700001E-02 169.2243 0.2931650 169.7064 0.1886450 170.1885 0.2811420 170.6707 7.5561002E-02 171.1528 0.7604810 171.6349 1.606610 172.1170 2.265342 172.5991 2.377315 173.0812 1.908937 173.5634 1.538249 174.0455 1.259605 174.5276 1.128164 175.0097 1.274889 175.4918 1.642889 175.9739 2.006388 176.4561 2.104094 176.9382 1.847486 177.4203 1.615240 177.9024 1.362389 178.3845 1.163743 178.8666 1.072269 179.3488 1.089157 179.8309 1.172494 180.3130 1.273855 180.7951 1.418490 181.2772 1.520074 181.7593 1.554914 182.2415 1.568607 182.7236 1.602951 183.2057 1.665583 183.6878 1.732426 184.1699 1.744626 184.6520 1.658645 185.1342 1.612541 185.6163 1.577773 186.0984 1.592613 186.5805 1.781704 187.0626 2.193954 187.5447 2.590545 188.0269 2.508547 188.5090 1.809798 188.9911 1.292837 189.4732 1.187130 189.9553 1.375214 190.4374 1.694500 190.9196 2.148826 191.4017 2.583532 191.8838 2.775396 192.3659 2.735154 192.8480 2.630247 193.3301 2.509090 193.8123 2.375507 194.2944 2.248352 194.7765 2.129467 195.2586 2.027880 195.7407 1.944223 196.2228 1.878518 196.7050 1.835646 197.1871 1.835944 197.6692 1.887007 198.1513 1.923434 198.6334 1.856024 199.1155 1.814880 199.5977 1.917562 200.0798 2.138269 200.5619 2.361325 201.0440 2.475386 201.5261 2.465533 202.0082 2.459754 202.4904 2.511513 202.9725 2.532151 203.4546 2.453876 203.9367 2.283914 204.4188 2.109613 204.9009 2.041171 205.3831 2.109250 205.8652 2.207003 206.3473 2.401668 206.8294 2.565061 207.3115 2.601275 207.7936 2.493281 208.2758 2.320853 208.7579 2.169214 209.2400 1.983310 209.7221 1.952461 210.2042 2.124768 210.6863 2.369490 211.1685 2.614733 211.6506 2.829223 212.1327 2.970861 212.6148 2.996134 213.0969 2.718095 213.5790 2.637065 214.0612 2.889334 214.5433 3.220078 215.0254 3.376951 215.5075 3.322925 215.9896 3.205464 216.4718 3.252165 216.9539 3.568398 217.4360 3.821362 217.9181 4.070710 218.4002 4.241664 218.8823 4.236488 219.3645 4.006735 219.8466 3.726295 220.3287 3.573832 220.8108 3.547120 221.2929 3.567267 221.7750 3.694102 222.2572 3.850500 222.7393 3.927854 223.2214 3.896185 223.7035 3.869450 224.1856 4.087717 224.6677 4.530859 225.1499 4.810500 225.6320 4.706567 226.1141 4.405649 226.5962 4.198720 227.0783 4.104764 227.5604 4.113618 228.0426 4.300066 228.5247 4.631004 229.0068 4.798917 229.4889 4.536666 229.9710 4.043001 230.4531 3.801268 230.9353 3.973466 231.4174 4.149855 231.8995 4.039876 232.3816 3.697008 232.8637 3.235321 233.3458 2.573270 233.8280 1.821206 234.3101 1.344692 234.7922 1.252953 235.2743 1.288215 235.7564 1.349062 236.2385 1.410873 236.7207 1.419504 237.2028 1.319099 237.6849 1.140053 238.1670 1.017155 238.6491 1.010115 239.1312 0.9691160 239.6134 0.8681560 240.0955 0.6938160 240.5776 0.4026840 241.0597 8.7067001E-02 241.5418 0.1659160 242.0239 0.5062060 242.5061 0.4284020 242.9882 0.2644750 243.4703 6.8836004E-02 243.9524 0.1312010 244.4345 0.2521510 244.9166 0.1261900 245.3988 3.9960999E-02 245.8809 2.0768000E-02 246.3630 5.7905000E-02 246.8451 5.5902001E-02 247.3272 3.4910999E-02 247.8093 0.1483910 248.2915 0.1921320 248.7736 0.1108790 249.2557 5.7085000E-02 249.7378 0.1517210 250.2199 5.8030002E-02 250.7020 3.1493001E-02 251.1842 0.1870820 251.6663 0.3993920 252.1484 0.5080100 252.6305 0.4343860 253.1126 0.2402750 253.5947 0.1195940 254.0769 0.2449620 254.5590 0.2330520 255.0411 0.1063020 255.5232 0.1684450 256.0053 5.0686002E-02 256.4874 4.3984000E-02 256.9695 0.3460950 257.4517 0.1266030 257.9338 0.1427270 258.4159 0.2593070 258.8980 0.1247850 259.3801 0.1218910 259.8622 0.3535240 260.3444 0.2494550 260.8265 0.1408760 261.3086 7.1544997E-02 261.7907 1.5495000E-02 262.2728 5.1821001E-02 262.7549 0.2718630 263.2371 0.2797400 263.7192 0.1222070 264.2013 0.1066130 264.6834 0.1216880 265.1655 4.5679999E-03 265.6476 0.3612030 266.1298 0.6458020 266.6119 0.9002910 267.0940 1.055947 267.5761 0.9864290 268.0582 0.6793530 268.5403 0.3426500 269.0225 0.2160230 269.5046 0.3497780 269.9867 0.5272930 270.4688 0.8009630 270.9509 1.079435 271.4330 1.278051 271.9152 1.390019 272.3973 1.468682 272.8794 1.534050 273.3615 1.590198 273.8436 1.805958 274.3257 2.458667 274.8079 3.079197 275.2900 3.157132 275.7721 2.712035 276.2542 2.380176 276.7363 2.731127 277.2184 3.667013 277.7006 4.199356 278.1827 3.961140 278.6648 3.605362 279.1469 3.582086 279.6290 3.868368 280.1111 4.232425 280.5933 4.601146 281.0754 4.916011 281.5575 5.035241 282.0396 4.824989 282.5217 4.585046 283.0038 4.458123 283.4860 4.445325 283.9681 4.561440 284.4502 4.855313 284.9323 5.253906 285.4144 5.605802 285.8965 5.925861 286.3787 6.170967 286.8608 6.236775 287.3429 6.188312 287.8250 6.314657 288.3071 6.851090 288.7892 7.399415 289.2714 7.325338 289.7535 6.562168 290.2356 5.839456 290.7177 5.500784 291.1998 5.459355 291.6819 5.519306 292.1641 5.708121 292.6462 5.849074 293.1283 5.693576 293.6104 5.280724 294.0925 4.906720 294.5746 4.676752 295.0568 4.567613 295.5389 4.582158 296.0210 4.784089 296.5031 4.919877 296.9852 4.653390 297.4673 4.126068 297.9495 3.720956 298.4316 3.638702 298.9137 3.710340 299.3958 3.738633 299.8779 3.723942 300.3600 3.602957 300.8422 3.213973 301.3243 2.696869 301.8064 2.275818 302.2885 1.958794 302.7706 1.807716 303.2527 1.959999 303.7349 2.440868 304.2170 2.834893 304.6991 2.823349 305.1812 2.665158 305.6633 2.744090 306.1454 3.200590 306.6276 3.687829 307.1097 3.829307 307.5918 3.642350 308.0739 3.620911 308.5560 4.092791 309.0381 4.650808 309.5203 4.827841 310.0024 4.587258 310.4845 4.226049 310.9666 3.838049 311.4487 3.463806 311.9308 3.334781 312.4130 3.593086 312.8951 3.965056 313.3772 4.263040 313.8593 4.494112 314.3414 4.571648 314.8235 4.256895 315.3057 3.781446 315.7878 3.736567 316.2699 4.322736 316.7520 4.946342 317.2341 5.100581 317.7162 4.985758 318.1984 4.964485 318.6805 5.207237 319.1626 5.592376 319.6447 5.892296 320.1268 6.142625 320.6089 6.427819 321.0911 6.822271 321.5732 7.263258 322.0553 7.605441 322.5374 7.755972 323.0195 7.834072 323.5016 7.995640 323.9838 8.244220 324.4659 8.625731 324.9480 9.296513 325.4301 9.941950 325.9122 10.15274 326.3943 9.841893 326.8765 9.503986 327.3586 9.546892 327.8407 9.884396 328.3228 10.07519 328.8049 10.00697 329.2870 9.719747 329.7692 9.174725 330.2513 8.420254 330.7334 7.889529 331.2155 8.015304 331.6976 8.451772 332.1797 8.367481 332.6619 7.530074 333.1440 6.643086 333.6261 6.326293 334.1082 6.403639 334.5903 6.503193 335.0724 6.575309 335.5546 6.581300 336.0367 6.447252 336.5188 6.163242 337.0009 5.845912 337.4831 5.493496 337.9652 5.177046 338.4473 5.027418 338.9294 5.092780 339.4115 5.274123 339.8936 5.612046 340.3758 6.061441 340.8579 6.249463 341.3400 5.940362 341.8221 5.392789 342.3042 4.985173 342.7863 4.708923 343.2685 4.576647 343.7506 4.664193 344.2327 4.897560 344.7148 5.110628 345.1969 5.278850 345.6790 5.392410 346.1612 5.451217 346.6433 5.459339 347.1254 5.349082 347.6075 4.925763 348.0896 4.460500 348.5717 4.370052 349.0539 4.702964 349.5360 5.005075 350.0181 4.885226 350.5002 4.444760 350.9823 4.182797 351.4644 4.163760 351.9466 4.299478 352.4287 4.655966 352.9108 5.163935 353.3929 5.488681 353.8750 5.438021 354.3571 5.127094 354.8393 4.852846 355.3214 4.651544 355.8035 4.404354 356.2856 3.939257 356.7677 3.423932 357.2498 3.215511 357.7320 3.450641 358.2141 3.814376 358.6962 3.836102 359.1783 3.434495 359.6604 3.215301 360.1425 3.502962 360.6247 3.843720 361.1068 3.700659 361.5889 3.063437 362.0710 2.500330 362.5531 2.526544 363.0352 3.135837 363.5174 3.494777 363.9995 3.424210 364.4816 3.308719 364.9637 3.410746 365.4458 3.619546 365.9279 3.593749 366.4101 3.116100 366.8922 2.377912 367.3743 2.021200 367.8564 2.400651 368.3385 2.630545 368.8206 2.520532 369.3028 2.236198 369.7849 1.917380 370.2670 1.614420 370.7491 1.402622 371.2312 1.418790 371.7133 1.830887 372.1955 1.936734 372.6776 1.553967 373.1597 1.045312 373.6418 0.5952400 374.1239 0.2235240 374.6060 0.1342930 375.0882 0.5562820 375.5703 0.2035130 376.0524 3.8669001E-02 376.5345 0.6091600 377.0166 0.2425520 377.4987 0.3417220 377.9809 0.5068400 378.4630 6.5035000E-02 378.9451 0.3211600 379.4272 0.5999250 379.9093 0.6175590 380.3914 3.2094002E-02 380.8736 0.2334600 381.3557 0.1180040 381.8378 0.5787930 382.3199 0.7734570 382.8020 0.6544060 383.2841 0.4186140 383.7663 0.2946960 384.2484 0.3147500 384.7305 0.2177950 385.2126 0.1310890 385.6947 0.4724000 386.1768 0.5153960 386.6590 0.2971000 387.1411 0.2045000 387.6232 0.2958440 388.1053 0.4932560 388.5874 0.5110710 389.0695 0.2764740 389.5517 9.9630002E-03 390.0338 0.3786390 390.5159 0.7305150 390.9980 0.9528930 391.4801 1.016831 391.9622 1.030547 392.4444 1.139511 392.9265 1.358672 393.4086 1.528389 393.8907 1.612461 394.3728 1.653605 394.8549 1.667874 395.3371 1.660008 395.8192 1.639163 396.3013 1.566790 396.7834 1.487027 397.2655 1.578657 397.7477 1.923926 398.2298 2.225956 398.7119 2.278673 399.1940 2.210402 399.6761 2.174168 400.1582 2.208052 400.6404 2.283892 401.1225 2.387662 401.6046 2.517572 402.0867 2.623275 402.5688 2.651567 403.0509 2.694782 403.5331 2.851672 404.0152 3.120734 404.4973 3.459248 404.9794 3.951218 405.4615 4.471845 405.9436 4.753656 406.4258 4.735321 406.9079 4.720768 407.3900 5.006676 407.8721 5.520785 408.3542 5.875084 408.8363 5.947438 409.3185 5.938548 409.8006 5.921501 410.2827 5.918746 410.7648 6.024089 411.2469 6.306428 411.7290 6.664353 412.2112 6.842346 412.6933 6.717614 413.1754 6.753210 413.6575 7.158970 414.1396 7.684979 414.6217 8.082919 415.1039 8.311989 415.5860 8.471174 416.0681 8.633683 416.5502 8.768627 417.0323 9.132634 417.5144 9.988604 417.9966 10.77488 418.4787 11.26536 418.9608 11.53025 419.4429 11.73013 419.9250 11.93793 420.4071 12.10446 420.8893 12.07866 421.3714 11.71480 421.8535 11.36739 422.3356 11.06833 422.8177 10.77348 423.2998 10.45835 423.7820 10.11388 424.2641 9.736913 424.7462 9.318526 425.2283 8.853421 425.7104 8.403451 426.1925 8.109857 426.6747 7.668472 427.1568 6.847059 427.6389 5.855072 428.1210 5.009310 428.6031 4.458266 429.0852 4.134149 429.5674 3.933749 430.0495 3.894370 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