#------------------------------------------------------------------------------
#$Date: 2019-01-16 15:18:43 +0200 (Wed, 16 Jan 2019) $
#$Revision: 213151 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108350.hkl $
#------------------------------------------------------------------------------
#
# 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_2108350
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.78316(15)
_cell_length_b                   11.78316(15)
_cell_length_c                   11.78316(15)
_pd_block_id                     ?
_cod_data_source_file            bp5070II.rtv
_cod_data_source_block           II
_cod_depositor_comments
;
Created by concatenating bp5070IIsup3.hkl and bp5070IIsup4.rtv supplementary
files into one.

Andrius Merkys
2019-01-16
;
_shelx_f_squared_multiplier      1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y+1/2, z'
'-y, -z, -x'
'-y, z+1/2, -x+1/2'
'-y+1/2, -z, x+1/2'
'-y+1/2, z+1/2, x'
'-z, -x, -y'
'-z, x+1/2, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x+1/2, y'
'z, -x+1/2, y+1/2'
'z, x, y'
'z+1/2, -x+1/2, -y'
'z+1/2, x, -y+1/2'
'y, -z+1/2, x+1/2'
'y, z, x'
'y+1/2, -z+1/2, -x'
'y+1/2, z, -x+1/2'
'x, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'x+1/2, y, -z+1/2'
loop_
_pd_proc_2theta_corrected
_pd_proc_intensity_net
_pd_calc_intensity_net
_pd_proc_ls_weight
11.0132 1239 1159.704 0.00080710
11.0292 1284 1171.653 0.00077882
11.0453 1288 1183.141 0.00077640
11.0613 1230 1194.040 0.00081301
11.0773 1284 1204.440 0.00077882
11.0934 1203 1214.418 0.00083126
11.1094 1226 1223.866 0.00081566
11.1254 1227 1232.862 0.00081500
11.1415 1220 1241.473 0.00081967
11.1575 1267 1249.606 0.00078927
11.1736 1318 1257.379 0.00075873
11.1896 1270 1264.708 0.00078740
11.2056 1221 1271.656 0.00081900
11.2217 1276 1278.277 0.00078370
11.2377 1307 1284.502 0.00076511
11.2537 1252 1290.384 0.00079872
11.2698 1272 1295.972 0.00078616
11.2858 1266 1301.206 0.00078989
11.3018 1310 1306.136 0.00076336
11.3179 1270 1310.801 0.00078740
11.3339 1330 1315.152 0.00075188
11.3499 1311 1319.228 0.00076278
11.3660 1272 1323.060 0.00078616
11.3820 1301 1326.615 0.00076864
11.3980 1258 1329.927 0.00079491
11.4141 1262 1333.026 0.00079239
11.4301 1302 1335.881 0.00076805
11.4462 1309 1338.539 0.00076394
11.4622 1324 1340.974 0.00075529
11.4782 1323 1343.213 0.00075586
11.4943 1312 1345.276 0.00076220
11.5103 1340 1347.146 0.00074627
11.5263 1336 1348.845 0.00074850
11.5424 1316 1350.389 0.00075988
11.5584 1292 1351.767 0.00077399
11.5744 1295 1352.996 0.00077220
11.5905 1314 1354.090 0.00076103
11.6065 1353 1355.041 0.00073910
11.6225 1330 1355.865 0.00075188
11.6386 1325 1356.571 0.00075472
11.6546 1330 1357.157 0.00075188
11.6706 1301 1357.634 0.00076864
11.6867 1286 1358.010 0.00077761
11.7027 1309 1358.286 0.00076394
11.7187 1308 1358.471 0.00076453
11.7348 1306 1358.569 0.00076570
11.7508 1286 1358.586 0.00077761
11.7669 1285 1358.526 0.00077821
11.7829 1368 1358.395 0.00073099
11.7989 1333 1358.198 0.00075019
11.8150 1319 1357.937 0.00075815
11.8310 1398 1357.621 0.00071531
11.8470 1339 1357.252 0.00074683
11.8631 1342 1356.831 0.00074516
11.8791 1298 1356.368 0.00077042
11.8951 1268 1355.865 0.00078864
11.9112 1325 1355.321 0.00075472
11.9272 1347 1354.747 0.00074239
11.9432 1389 1354.143 0.00071994
11.9593 1346 1353.509 0.00074294
11.9753 1368 1352.857 0.00073099
11.9913 1451 1352.184 0.00068918
12.0074 1342 1351.492 0.00074516
12.0234 1332 1350.790 0.00075075
12.0395 1364 1350.075 0.00073314
12.0555 1389 1349.357 0.00071994
12.0715 1386 1348.635 0.00072150
12.0876 1326 1347.909 0.00075415
12.1036 1427 1347.190 0.00070077
12.1196 1375 1346.478 0.00072727
12.1357 1381 1345.771 0.00072411
12.1517 1350 1345.083 0.00074074
12.1677 1332 1344.412 0.00075075
12.1838 1390 1343.760 0.00071942
12.1998 1384 1343.140 0.00072254
12.2158 1307 1342.554 0.00076511
12.2319 1418 1342.005 0.00070522
12.2479 1350 1341.510 0.00074074
12.2639 1328 1341.074 0.00075301
12.2800 1379 1340.712 0.00072516
12.2960 1384 1340.446 0.00072254
12.3121 1350 1340.301 0.00074074
12.3281 1355 1340.322 0.00073801
12.3441 1415 1340.579 0.00070671
12.3602 1457 1341.190 0.00068634
12.3762 1482 1342.318 0.00067476
12.3922 1391 1343.830 0.00071891
12.4083 1371 1344.717 0.00072939
12.4243 1485 1344.588 0.00067340
12.4403 1404 1344.426 0.00071225
12.4564 1380 1344.322 0.00072464
12.4724 1407 1344.285 0.00071073
12.4884 1353 1344.320 0.00073910
12.5045 1424 1344.438 0.00070225
12.5205 1372 1344.646 0.00072886
12.5365 1420 1344.955 0.00070423
12.5526 1428 1345.382 0.00070028
12.5686 1312 1345.936 0.00076220
12.5846 1433 1346.637 0.00069784
12.6007 1341 1347.511 0.00074571
12.6167 1392 1348.572 0.00071839
12.6328 1305 1349.863 0.00076628
12.6488 1342 1351.401 0.00074516
12.6648 1347 1353.234 0.00074239
12.6809 1450 1355.426 0.00068966
12.6969 1457 1358.009 0.00068634
12.7129 1416 1361.072 0.00070621
12.7290 1399 1364.728 0.00071480
12.7450 1438 1369.042 0.00069541
12.7610 1401 1374.173 0.00071378
12.7771 1411 1380.337 0.00070872
12.7931 1433 1387.687 0.00069784
12.8091 1421 1396.560 0.00070373
12.8252 1434 1407.442 0.00069735
12.8412 1505 1420.777 0.00066445
12.8572 1469 1437.441 0.00068074
12.8733 1495 1458.749 0.00066890
12.8893 1447 1485.957 0.00069109
12.9054 1558 1520.629 0.00064185
12.9214 1585 1559.864 0.00063091
12.9374 1563 1589.947 0.00063980
12.9535 1566 1586.289 0.00063857
12.9695 1612 1543.776 0.00062035
12.9855 1472 1489.396 0.00067935
13.0016 1456 1443.318 0.00068681
13.0176 1470 1410.808 0.00068027
13.0336 1389 1392.475 0.00071994
13.0497 1413 1383.183 0.00070771
13.0657 1452 1378.331 0.00068871
13.0817 1469 1375.656 0.00068074
13.0978 1364 1374.180 0.00073314
13.1138 1446 1373.447 0.00069156
13.1298 1412 1373.191 0.00070822
13.1459 1424 1373.264 0.00070225
13.1619 1322 1373.576 0.00075643
13.1780 1377 1374.069 0.00072622
13.1940 1411 1374.698 0.00070872
13.2100 1430 1375.438 0.00069930
13.2261 1398 1376.275 0.00071531
13.2421 1396 1377.183 0.00071633
13.2581 1365 1378.157 0.00073260
13.2742 1418 1379.196 0.00070522
13.2902 1361 1380.279 0.00073475
13.3062 1416 1381.408 0.00070621
13.3223 1423 1382.586 0.00070274
13.3383 1392 1383.797 0.00071839
13.3543 1409 1385.044 0.00070972
13.3704 1487 1386.333 0.00067249
13.3864 1451 1387.648 0.00068918
13.4024 1392 1388.994 0.00071839
13.4185 1437 1390.379 0.00069589
13.4345 1426 1391.786 0.00070126
13.4506 1475 1393.231 0.00067797
13.4666 1465 1394.695 0.00068259
13.4826 1476 1396.189 0.00067751
13.4987 1415 1397.720 0.00070671
13.5147 1471 1399.270 0.00067981
13.5307 1457 1400.849 0.00068634
13.5468 1498 1402.468 0.00066756
13.5628 1401 1404.106 0.00071378
13.5788 1380 1405.774 0.00072464
13.5949 1389 1407.483 0.00071994
13.6109 1393 1409.214 0.00071787
13.6269 1402 1410.977 0.00071327
13.6430 1407 1412.786 0.00071073
13.6590 1378 1414.618 0.00072569
13.6750 1368 1416.487 0.00073099
13.6911 1321 1418.406 0.00075700
13.7071 1396 1420.354 0.00071633
13.7231 1350 1422.343 0.00074074
13.7392 1366 1424.389 0.00073206
13.7552 1381 1426.469 0.00072411
13.7713 1394 1428.612 0.00071736
13.7873 1362 1430.794 0.00073421
13.8033 1439 1433.031 0.00069493
13.8194 1430 1435.341 0.00069930
13.8354 1337 1437.699 0.00074794
13.8514 1364 1440.124 0.00073314
13.8675 1329 1442.636 0.00075245
13.8835 1399 1445.209 0.00071480
13.8995 1370 1447.863 0.00072993
13.9156 1338 1450.621 0.00074738
13.9316 1374 1453.457 0.00072780
13.9476 1322 1456.393 0.00075643
13.9637 1452 1459.457 0.00068871
13.9797 1380 1462.619 0.00072464
13.9957 1392 1465.907 0.00071839
14.0118 1371 1469.353 0.00072939
14.0278 1355 1472.925 0.00073801
14.0439 1300 1476.681 0.00076923
14.0599 1374 1480.586 0.00072780
14.0759 1455 1484.678 0.00068729
14.0920 1343 1489.003 0.00074460
14.1080 1339 1493.523 0.00074683
14.1240 1350 1498.285 0.00074074
14.1401 1411 1503.344 0.00070872
14.1561 1352 1508.661 0.00073965
14.1721 1363 1514.296 0.00073368
14.1882 1370 1520.318 0.00072993
14.2042 1408 1526.686 0.00071023
14.2202 1437 1533.478 0.00069589
14.2363 1359 1540.785 0.00073584
14.2523 1359 1548.568 0.00073584
14.2683 1472 1556.928 0.00067935
14.2844 1431 1565.994 0.00069881
14.3004 1468 1575.731 0.00068120
14.3165 1464 1586.357 0.00068306
14.3325 1544 1597.853 0.00064767
14.3485 1511 1610.423 0.00066181
14.3646 1550 1624.342 0.00064516
14.3806 1625 1639.675 0.00061538
14.3966 1627 1656.834 0.00061463
14.4127 1661 1676.381 0.00060205
14.4287 1749 1698.608 0.00057176
14.4447 1767 1724.295 0.00056593
14.4608 1861 1754.467 0.00053735
14.4768 1875 1789.716 0.00053333
14.4928 1882 1831.387 0.00053135
14.5089 2007 1881.220 0.00049826
14.5249 1974 1940.236 0.00050659
14.5409 2067 2010.700 0.00048379
14.5570 2160 2095.543 0.00046296
14.5730 2311 2196.462 0.00043271
14.5890 2364 2317.249 0.00042301
14.6051 2459 2462.848 0.00040667
14.6211 2747 2636.079 0.00036403
14.6372 2858 2844.848 0.00034989
14.6532 3139 3093.230 0.00031857
14.6692 3439 3390.539 0.00029078
14.6853 3850 3749.053 0.00025974
14.7013 4241 4176.077 0.00023579
14.7173 4862 4688.135 0.00020568
14.7334 5281 5307.330 0.00018936
14.7494 6055 6048.023 0.00016515
14.7654 6742 6941.722 0.00014832
14.7815 7676 8031.136 0.00013028
14.7975 9032 9346.779 0.00011072
14.8135 10331 10952.046 0.00009680
14.8296 12559 12936.437 0.00007962
14.8456 15178 15376.649 0.00006588
14.8616 17985 18423.357 0.00005560
14.8777 22120 22296.308 0.00004521
14.8937 27027 27203.349 0.00003700
14.9098 33504 33508.373 0.00002985
14.9258 40977 41282.804 0.00002440
14.9418 48762 49882.855 0.00002051
14.9579 54330 56436.113 0.00001841
14.9739 53542 55916.902 0.00001868
14.9899 45812 46961.338 0.00002183
15.0060 34500 35044.052 0.00002899
15.0220 24572 24862.537 0.00004070
15.0380 16188 16554.930 0.00006177
15.0541 10967 10935.339 0.00009118
15.0701 8032 7810.469 0.00012450
15.0861 6618 6025.431 0.00015110
15.1022 5526 4910.412 0.00018096
15.1182 4682 4168.779 0.00021358
15.1342 3973 3643.457 0.00025170
15.1503 3732 3253.289 0.00026795
15.1663 3348 2957.351 0.00029869
15.1824 2991 2724.055 0.00033434
15.1984 2775 2538.364 0.00036036
15.2144 2528 2386.838 0.00039557
15.2305 2413 2260.562 0.00041442
15.2465 2211 2155.197 0.00045228
15.2625 2155 2065.649 0.00046404
15.2786 2092 1988.308 0.00047801
15.2946 1945 1921.705 0.00051414
15.3106 1877 1863.483 0.00053277
15.3267 1850 1811.900 0.00054054
15.3427 1844 1766.441 0.00054230
15.3587 1759 1725.856 0.00056850
15.3748 1686 1689.192 0.00059312
15.3908 1691 1656.294 0.00059137
15.4068 1607 1626.430 0.00062228
15.4229 1660 1599.026 0.00060241
15.4389 1621 1574.075 0.00061690
15.4550 1559 1550.976 0.00064144
15.4710 1538 1529.767 0.00065020
15.4870 1553 1510.092 0.00064392
15.5031 1559 1491.664 0.00064144
15.5191 1502 1474.557 0.00066578
15.5351 1500 1458.522 0.00066667
15.5512 1451 1443.352 0.00068918
15.5672 1444 1429.136 0.00069252
15.5832 1449 1415.689 0.00069013
15.5993 1433 1402.860 0.00069784
15.6153 1382 1390.738 0.00072359
15.6313 1384 1379.185 0.00072254
15.6474 1365 1368.082 0.00073260
15.6634 1386 1357.521 0.00072150
15.6794 1272 1347.388 0.00078616
15.6955 1329 1337.575 0.00075245
15.7115 1336 1328.163 0.00074850
15.7275 1330 1319.069 0.00075188
15.7436 1283 1310.217 0.00077942
15.7596 1319 1301.693 0.00075815
15.7757 1265 1293.367 0.00079051
15.7917 1307 1285.323 0.00076511
15.8077 1345 1277.490 0.00074349
15.8238 1270 1269.807 0.00078740
15.8398 1186 1262.351 0.00084317
15.8558 1195 1255.063 0.00083682
15.8719 1266 1247.885 0.00078989
15.8879 1195 1240.896 0.00083682
15.9039 1211 1234.039 0.00082576
15.9200 1234 1227.265 0.00081037
15.9360 1204 1220.647 0.00083056
15.9520 1245 1214.137 0.00080321
15.9681 1126 1207.686 0.00088810
15.9841 1172 1201.368 0.00085324
16.0001 1187 1195.138 0.00084246
16.0162 1142 1188.950 0.00087566
16.0322 1146 1182.876 0.00087260
16.0483 1132 1176.836 0.00088339
16.0643 1136 1170.900 0.00088028
16.0803 1130 1165.027 0.00088496
16.0964 1172 1159.175 0.00085324
16.1124 1166 1153.415 0.00085763
16.1284 1124 1147.707 0.00088968
16.1445 1107 1142.012 0.00090334
16.1605 1144 1136.399 0.00087413
16.1765 1080 1130.829 0.00092593
16.1926 1110 1125.265 0.00090090
16.2086 1125 1119.775 0.00088889
16.2246 1090 1114.321 0.00091743
16.2407 1110 1108.868 0.00090090
16.2567 1048 1103.482 0.00095420
16.2727 1090 1098.127 0.00091743
16.2888 1162 1092.769 0.00086059
16.3048 1057 1087.473 0.00094607
16.3209 1085 1082.171 0.00092166
16.3369 1073 1076.928 0.00093197
16.3529 993 1071.710 0.00100705
16.3690 987 1066.484 0.00101317
16.3850 1040 1061.313 0.00096154
16.4010 1021 1056.164 0.00097943
16.4171 970 1051.005 0.00103093
16.4331 1034 1045.898 0.00096712
16.4491 1025 1040.812 0.00097561
16.4652 956 1035.714 0.00104603
16.4812 1005 1030.667 0.00099503
16.4972 1024 1025.639 0.00097656
16.5133 963 1020.599 0.00103842
16.5293 914 1015.609 0.00109409
16.5453 983 1010.637 0.00101729
16.5614 953 1005.654 0.00104932
16.5774 958 1000.721 0.00104384
16.5934 917 995.809 0.00109051
16.6095 965 990.888 0.00103627
16.6255 961 986.021 0.00104058
16.6416 937 981.150 0.00106724
16.6576 920 976.337 0.00108696
16.6736 916 971.559 0.00109170
16.6897 1004 966.790 0.00099602
16.7057 960 962.096 0.00104167
16.7217 948 957.449 0.00105485
16.7378 974 952.810 0.00102669
16.7538 896 948.201 0.00111607
16.7698 919 943.572 0.00108814
16.7859 942 938.966 0.00106157
16.8019 893 934.543 0.00111982
16.8179 901 930.325 0.00110988
16.8340 908 926.374 0.00110132
16.8500 870 922.839 0.00114943
16.8660 936 919.566 0.00106838
16.8821 877 915.878 0.00114025
16.8981 879 911.454 0.00113766
16.9142 859 906.715 0.00116414
16.9302 922 901.970 0.00108460
16.9462 920 897.199 0.00108696
16.9623 960 892.355 0.00104167
16.9783 973 887.479 0.00102775
16.9943 932 882.509 0.00107296
17.0104 930 877.357 0.00107527
17.0264 962 871.996 0.00103950
17.0424 919 866.259 0.00108814
17.0585 962 860.148 0.00103950
17.0745 1050 854.459 0.00095238
17.0905 1017 849.734 0.00098328
17.1066 1086 845.422 0.00092081
17.1226 1062 841.179 0.00094162
17.1386 1122 836.953 0.00089127
17.1547 1106 832.716 0.00090416
17.1707 1104 828.521 0.00090580
17.1868 1135 824.317 0.00088106
17.2028 1132 820.155 0.00088339
17.2188 1118 816.009 0.00089445
17.2349 946 811.854 0.00105708
17.2509 1014 807.740 0.00098619
17.2669 963 803.641 0.00103842
17.2830 904 799.531 0.00110619
17.2990 852 795.460 0.00117371
17.3150 861 791.403 0.00116144
17.3311 838 787.331 0.00119332
17.3471 825 783.294 0.00121212
17.3631 801 779.264 0.00124844
17.3792 771 775.213 0.00129702
17.3952 752 771.187 0.00132979
17.4112 756 767.156 0.00132275
17.4273 744 763.087 0.00134409
17.4433 732 759.020 0.00136612
17.4594 753 754.891 0.00132802
17.4754 762 750.730 0.00131234
17.4914 748 746.477 0.00133690
17.5075 724 742.050 0.00138122
17.5235 721 737.408 0.00138696
17.5395 715 732.385 0.00139860
17.5556 741 727.017 0.00134953
17.5716 725 722.178 0.00137931
17.5876 791 718.320 0.00126422
17.6037 746 714.808 0.00134048
17.6197 732 711.293 0.00136612
17.6357 700 707.887 0.00142857
17.6518 708 704.493 0.00141243
17.6678 688 701.156 0.00145349
17.6838 703 697.857 0.00142247
17.6999 715 694.578 0.00139860
17.7159 719 691.364 0.00139082
17.7319 670 688.198 0.00149254
17.7480 674 685.066 0.00148368
17.7640 702 682.013 0.00142450
17.7801 697 679.007 0.00143472
17.7961 641 676.090 0.00156006
17.8121 638 673.254 0.00156740
17.8282 645 670.505 0.00155039
17.8442 623 667.901 0.00160514
17.8602 653 665.460 0.00153139
17.8763 680 663.217 0.00147059
17.8923 649 661.275 0.00154083
17.9083 654 659.721 0.00152905
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138.1592 1072 1058.551 0.00373134
138.1913 1052 1047.704 0.00380228
138.2234 1030 1037.796 0.00388349
138.2555 1025 1029.172 0.00390244
138.2875 1012 1021.989 0.00395257
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138.3517 1020 1011.827 0.00392157
138.3837 1028 1008.753 0.00389105
138.4158 996 1006.901 0.00401607
138.4479 985 1006.197 0.00406092
138.4799 968 1006.557 0.00413223
138.5120 1004 1007.886 0.00398406
138.5441 1007 1010.058 0.00397220
138.5762 1015 1012.887 0.00394089
138.6082 1012 1016.101 0.00395257
138.6403 1024 1019.372 0.00390625
138.6724 1022 1022.265 0.00391389
138.7044 1019 1024.326 0.00392542
138.7365 1013 1025.174 0.00394867
138.7686 1033 1024.558 0.00387222
138.8007 1031 1022.449 0.00387973
138.8327 1004 1019.051 0.00398406
138.8648 1014 1014.696 0.00394477
138.8969 986 1009.816 0.00405679
138.9289 999 1004.835 0.00400400
138.9610 986 1000.058 0.00405679
138.9931 1014 995.752 0.00394477
139.0251 993 992.092 0.00402820
139.0572 988 989.159 0.00404858
139.0893 962 987.021 0.00415801
139.1214 973 985.710 0.00411100
139.1534 990 985.242 0.00404041
139.1855 966 985.621 0.00414079
139.2176 965 986.847 0.00414508
139.2496 992 988.889 0.00403226
139.2817 988 991.700 0.00404858
139.3138 978 995.153 0.00408998
139.3459 976 999.033 0.00409836
139.3779 983 1003.001 0.00406917
139.4100 996 1006.643 0.00401607
139.4421 999 1009.441 0.00400400
139.4741 1020 1010.920 0.00392157
139.5062 1001 1010.777 0.00399601
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139.5703 1015 1005.652 0.00394089
139.6024 983 1001.288 0.00406917
139.6345 999 996.345 0.00400400
139.6666 999 991.265 0.00400400
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139.7628 992 977.897 0.00403226
139.7948 981 974.452 0.00407747
139.8269 998 971.524 0.00400802
139.8590 965 969.092 0.00414508
139.8910 973 967.116 0.00411100
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loop_
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