#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/47/2014707.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_2014707_Fobs
loop_
_publ_author_name
'Emme, Holger'
'Huppertz, Hubert'
_publ_section_title
;
 High-pressure syntheses of \a-RE~2~B~4~O~9~ (RE = Sm, Ho), with a
 structure type displaying edge-sharing BO~4~ tetrahedra
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i29
_journal_page_last               i31
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 99.845
_cell_angle_gamma                90.000
_cell_length_a                   25.5721
_cell_length_b                   4.4516
_cell_length_c                   24.9671
_exptl_crystal_F_000             4320.00
_reflns_d_resolution_high        0.7964
_[local]_cod_data_source_file    iz1049Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' \a-Sm~2~B~4~O~9~ IN C2/C'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1532.74
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
6 0 0 148056.80 150340.05 3709.97 o
8 0 0 34519.44 33340.93 2747.52 o
10 0 0 245305.36 252240.53 2845.52 o
12 0 0 30689.40 33734.97 1970.10 o
14 0 0 1956805.00 1918319.50 30035.69 o
16 0 0 43355.45 42329.12 1640.96 o
18 0 0 49984.14 48953.77 1396.84 o
20 0 0 91280.96 92613.23 1652.05 o
22 0 0 108454.52 110917.51 1828.37 o
24 0 0 274271.88 277763.66 1890.70 o
26 0 0 94597.05 96434.59 1351.67 o
28 0 0 42330.25 44737.31 1265.75 o
30 0 0 33505.78 34150.07 1618.26 o
3 1 0 7765.22 8086.54 2555.93 o
5 1 0 13289.51 14029.02 2218.40 o
7 1 0 315372.28 316069.00 2625.68 o
9 1 0 25268.18 23783.38 1515.71 o
11 1 0 14903.62 16424.33 1136.22 o
13 1 0 29239.54 30972.53 1223.55 o
15 1 0 9221.54 10191.22 1160.79 o
17 1 0 3633.23 4537.37 949.53 o
19 1 0 36725.71 37211.48 972.16 o
21 1 0 54820.52 55880.47 1100.82 o
23 1 0 382.14 0.00 705.98 o
25 1 0 2870.32 3003.80 871.60 o
27 1 0 197.17 182.15 660.03 o
29 1 0 57.19 0.00 809.46 o
31 1 0 21107.97 19634.85 1017.91 o
4 2 0 36122.68 38438.76 2006.49 o
6 2 0 63736.26 62441.38 1819.71 o
8 2 0 641.82 417.93 1264.78 o
10 2 0 105468.97 102122.55 1435.23 o
12 2 0 1985.20 2272.21 1038.82 o
14 2 0 555648.56 540741.88 2239.10 o
16 2 0 27095.13 26765.81 1121.42 o
18 2 0 42589.91 41216.88 1020.44 o
20 2 0 41858.52 41771.59 1046.86 o
22 2 0 109467.59 109788.68 1756.30 o
24 2 0 50536.79 50064.95 891.32 o
26 2 0 35652.73 35893.69 838.32 o
28 2 0 30099.38 29467.06 917.08 o
5 3 0 6038.89 6797.13 2177.57 o
7 3 0 934354.25 923937.69 11623.65 o
9 3 0 90174.75 90996.98 1465.60 o
11 3 0 27156.70 26758.61 1102.04 o
13 3 0 29046.69 30331.99 1049.55 o
15 3 0 24289.74 23611.08 1037.51 o
17 3 0 33789.92 34491.43 973.98 o
19 3 0 132006.23 134431.02 1214.80 o
21 3 0 190286.13 193612.91 3683.40 o
23 3 0 1405.60 1063.45 720.72 o
25 3 0 17684.06 16738.33 833.71 o
8 4 0 37946.92 38962.29 2400.44 o
10 4 0 20509.38 21373.85 1528.57 o
12 4 0 1006.08 1399.79 942.33 o
14 4 0 21957.94 22913.58 1310.32 o
16 4 0 69832.88 68862.88 1508.10 o
18 4 0 30347.10 30385.02 1261.32 o
20 4 0 1694.94 2579.70 780.17 o
22 4 0 38431.53 36044.06 2628.07 o
13 5 0 22057.79 22980.91 2303.70 o
-31 1 1 330862.50 321442.50 3920.68 o
-29 1 1 11633.44 11842.54 738.00 o
-27 1 1 86880.05 85486.05 929.47 o
-25 1 1 45555.66 48390.50 995.42 o
-23 1 1 96405.88 97665.59 1046.35 o
-21 1 1 413432.78 422436.69 4317.75 o
-19 1 1 19623.14 19749.88 923.87 o
-17 1 1 303747.75 304107.16 4439.94 o
-15 1 1 253182.66 252035.08 1589.78 o
-13 1 1 247257.63 247321.13 1693.55 o
-11 1 1 569690.75 576455.13 6801.24 o
-9 1 1 1414.20 1126.77 1327.30 o
-7 1 1 2349302.75 2141197.25 13236.19 o
-5 1 1 1261.67 2216.38 2016.99 o
-3 1 1 44146.65 45868.63 2913.95 o
3 1 1 62797.30 63231.68 3013.98 o
5 1 1 38572.37 39455.11 2078.80 o
7 1 1 792755.50 767073.31 5276.16 o
9 1 1 464.35 698.65 1268.45 o
11 1 1 600806.31 603854.69 3651.61 o
13 1 1 725436.88 704308.13 4250.63 o
15 1 1 24062.34 23554.44 958.37 o
17 1 1 31433.81 31584.51 934.25 o
19 1 1 105681.88 106986.84 1205.47 o
21 1 1 13880.17 12937.83 836.75 o
23 1 1 4548.45 3914.69 819.84 o
25 1 1 50315.16 52739.31 1002.68 o
27 1 1 32421.46 32153.15 869.87 o
29 1 1 468.99 758.28 689.03 o
-28 2 1 13782.85 13486.52 804.35 o
-26 2 1 58422.22 59909.54 909.34 o
-24 2 1 55363.06 58050.78 919.69 o
-22 2 1 457.11 1228.17 744.53 o
-20 2 1 119201.23 117441.38 1140.14 o
-18 2 1 42447.26 40248.06 1113.96 o
-16 2 1 8939.36 9013.69 852.98 o
-14 2 1 113746.48 112013.23 1301.29 o
-12 2 1 22103.17 22496.92 1060.64 o
-10 2 1 3004.68 3539.26 1113.82 o
-8 2 1 88792.94 83975.91 1674.40 o
-6 2 1 11025.18 11078.40 1322.99 o
-4 2 1 3583.89 4314.96 1867.30 o
-2 2 1 33.41 704.05 4756.25 o
2 2 1 77243.21 71617.78 4018.26 o
4 2 1 138750.27 143723.92 2433.74 o
6 2 1 502295.81 503788.22 4600.68 o
8 2 1 56371.33 53211.60 1598.92 o
10 2 1 1072.86 1281.91 986.10 o
12 2 1 33173.05 31732.51 1141.81 o
14 2 1 338311.41 327983.47 1855.18 o
16 2 1 1323.45 1990.11 1132.99 o
18 2 1 8.64 178.90 812.86 o
20 2 1 222445.34 219543.50 3537.36 o
22 2 1 19464.43 20565.54 1078.47 o
24 2 1 16311.57 16036.22 780.71 o
26 2 1 87441.15 90456.61 1328.63 o
28 2 1 41620.05 41755.66 845.41 o
-25 3 1 21.84 356.79 757.58 o
-23 3 1 28066.66 29718.69 886.08 o
-21 3 1 132024.52 136924.58 1930.69 o
-19 3 1 9.92 9.39 887.20 o
-17 3 1 95346.04 96200.73 1197.01 o
-15 3 1 46447.69 47597.36 1016.15 o
-13 3 1 31241.04 30741.26 1239.53 o
-11 3 1 29379.77 29516.00 1181.11 o
-9 3 1 4121.75 4642.82 1220.81 o
-7 3 1 257505.36 258416.92 2598.54 o
-5 3 1 1049.68 1462.98 2093.45 o
5 3 1 563.51 1329.93 2331.29 o
7 3 1 26068.91 25725.70 1495.61 o
9 3 1 7981.92 7727.65 1100.22 o
11 3 1 47199.03 46506.28 1340.29 o
13 3 1 53235.16 53287.21 1202.28 o
15 3 1 127898.41 126275.72 1704.22 o
17 3 1 12493.92 13043.35 1053.91 o
19 3 1 38729.61 37809.34 853.88 o
21 3 1 1618.84 2026.75 686.77 o
23 3 1 238.39 538.22 767.02 o
25 3 1 55298.48 56385.64 923.21 o
-22 4 1 380.68 1116.47 941.09 o
-20 4 1 178964.36 177478.67 3421.08 o
-18 4 1 6138.35 6639.45 908.57 o
-16 4 1 13003.59 12787.95 1048.14 o
-14 4 1 112590.20 112403.32 1532.33 o
-12 4 1 22178.27 22391.75 1176.04 o
-10 4 1 1123.93 1322.17 1191.37 o
-8 4 1 24832.26 25461.14 2235.34 o
8 4 1 36808.25 35942.55 2229.77 o
10 4 1 3384.51 3669.03 1215.73 o
12 4 1 119029.80 118204.57 1941.08 o
14 4 1 328732.44 326563.19 2125.01 o
16 4 1 15750.09 15401.37 1054.35 o
18 4 1 140.92 340.84 957.73 o
20 4 1 251536.61 253644.34 2722.96 o
-13 5 1 47.36 0.00 1880.11 o
13 5 1 59658.66 63770.86 4311.74 o
-30 0 2 41781.80 39804.28 1211.31 o
-28 0 2 30358.84 29879.39 1935.52 o
-26 0 2 136751.80 138344.95 1948.02 o
-24 0 2 105512.28 108026.17 1422.86 o
-22 0 2 496864.09 502585.97 9621.30 o
-20 0 2 444973.50 446000.09 2480.32 o
-18 0 2 511000.44 516889.72 2883.01 o
-16 0 2 4146.14 3440.36 1516.83 o
-14 0 2 24034.17 25926.27 1747.41 o
-12 0 2 158489.69 165070.58 2511.35 o
-10 0 2 182.86 752.18 2169.20 o
-8 0 2 1250995.38 1270181.63 6562.32 o
-6 0 2 345940.56 366266.06 4755.69 o
-4 0 2 450.06 0.00 5273.35 o
4 0 2 216731.05 224423.23 6911.52 o
6 0 2 1131671.00 1134261.38 14829.84 o
8 0 2 61928.58 64380.00 2391.93 o
10 0 2 568818.75 572987.31 3890.91 o
12 0 2 18936.51 17743.52 1797.54 o
14 0 2 7971.82 8755.55 1651.94 o
16 0 2 160753.92 158198.83 2036.40 o
18 0 2 0.57 351.23 1144.98 o
20 0 2 520075.97 523739.72 2686.49 o
22 0 2 220578.70 219958.75 1787.70 o
24 0 2 228571.78 232348.05 1764.38 o
26 0 2 94517.78 99029.36 1473.33 o
28 0 2 17149.21 19244.60 3053.76 o
30 0 2 253.68 326.05 1037.58 o
-31 1 2 2179.99 2464.53 752.47 o
-29 1 2 1195.50 1205.91 702.26 o
-27 1 2 40614.11 42735.25 931.01 o
-25 1 2 28814.52 30926.92 954.16 o
-23 1 2 36608.29 37685.05 1001.54 o
-21 1 2 766.95 401.73 968.68 o
-19 1 2 12555.25 12134.51 1178.33 o
-17 1 2 17478.02 18034.32 1045.45 o
-15 1 2 179.40 892.48 1156.40 o
-13 1 2 20652.66 20566.59 1067.00 o
-11 1 2 7684.54 6807.71 1414.74 o
-9 1 2 38499.89 40136.71 1417.35 o
-7 1 2 35657.45 36214.86 1862.89 o
-5 1 2 10967.14 11832.76 1943.26 o
-3 1 2 667.19 612.24 2372.11 o
-1 1 2 179345.27 187836.91 4370.25 o
1 1 2 38811.14 42863.80 3111.37 o
3 1 2 1134.30 1067.08 2251.25 o
5 1 2 3708.04 6332.86 1674.82 o
7 1 2 130960.38 129466.44 1832.81 o
9 1 2 75695.04 82294.23 1621.01 o
11 1 2 121.50 0.00 1294.82 o
13 1 2 250958.28 243829.19 1809.74 o
15 1 2 67125.31 66794.93 1293.48 o
17 1 2 428.41 968.12 823.17 o
19 1 2 750.25 1600.20 789.12 o
21 1 2 26983.92 27193.56 817.83 o
23 1 2 1824.94 2126.07 691.39 o
25 1 2 2140.48 1739.56 786.18 o
27 1 2 32712.38 33384.21 926.27 o
29 1 2 7097.54 7240.69 721.78 o
-28 2 2 32801.96 31797.23 1122.40 o
-26 2 2 17809.72 17258.61 726.21 o
-24 2 2 59767.02 60197.57 1063.97 o
-22 2 2 241920.36 238447.69 2976.06 o
-20 2 2 214639.89 214543.58 1844.88 o
-18 2 2 170338.58 168146.31 1385.29 o
-16 2 2 7021.90 7547.84 971.28 o
-14 2 2 5710.95 5780.67 1019.49 o
-12 2 2 15806.50 15279.27 1329.13 o
-10 2 2 1328.82 2188.85 1107.51 o
-8 2 2 632454.00 613597.81 7375.53 o
-6 2 2 443725.00 439309.06 9009.27 o
-4 2 2 19147.07 21361.32 1835.84 o
-2 2 2 9525.61 10748.88 2714.63 o
2 2 2 62775.96 68147.96 2379.25 o
4 2 2 57727.85 53500.24 1859.29 o
6 2 2 577740.75 575930.63 4551.57 o
8 2 2 17380.17 17371.69 1193.40 o
10 2 2 368856.03 364435.00 3915.62 o
12 2 2 67138.30 66472.02 1339.40 o
14 2 2 10300.79 10639.45 997.69 o
16 2 2 78917.32 77239.05 1062.89 o
18 2 2 644.87 815.67 750.26 o
20 2 2 128205.34 126159.90 1182.32 o
22 2 2 82945.45 81394.41 1046.19 o
24 2 2 116811.52 119696.22 1493.64 o
26 2 2 89062.96 93295.43 2369.07 o
28 2 2 488.09 458.27 696.80 o
-25 3 2 114322.16 115407.05 1207.39 o
-23 3 2 58504.82 59278.07 999.45 o
-21 3 2 5063.98 5353.89 823.32 o
-19 3 2 1126.31 1991.22 906.14 o
-17 3 2 121008.02 122140.19 2567.74 o
-15 3 2 90450.66 91190.24 1291.72 o
-13 3 2 103851.51 105283.02 2800.29 o
-11 3 2 79717.92 78304.02 1732.28 o
-9 3 2 70706.71 69214.48 1557.70 o
-7 3 2 46866.80 46970.08 1644.76 o
-5 3 2 22898.19 22856.91 2167.21 o
5 3 2 71.79 818.48 1408.95 o
7 3 2 361853.03 359512.81 2777.31 o
9 3 2 16608.29 16419.32 1247.72 o
11 3 2 2499.07 2991.15 1037.11 o
13 3 2 1019849.88 980233.69 3211.34 o
15 3 2 112986.36 110173.71 1270.79 o
17 3 2 4374.37 5013.71 1014.56 o
19 3 2 229.99 0.00 977.51 o
21 3 2 69195.14 72172.16 1159.82 o
23 3 2 17134.65 16342.20 907.37 o
25 3 2 18335.53 18144.40 774.57 o
-22 4 2 43423.08 40719.85 2162.53 o
-20 4 2 16223.28 17029.95 868.13 o
-18 4 2 19.25 208.36 785.54 o
-16 4 2 4467.08 4572.49 926.04 o
-14 4 2 475.86 40.86 1008.34 o
-12 4 2 200.94 422.15 930.05 o
-10 4 2 71296.57 70682.62 1930.26 o
-8 4 2 15070.72 14996.59 2222.83 o
8 4 2 103951.55 104803.38 2840.87 o
10 4 2 51686.80 52924.96 2189.88 o
12 4 2 65733.66 67032.13 1595.38 o
14 4 2 107108.55 107755.55 1446.59 o
16 4 2 1764.67 2532.79 889.01 o
18 4 2 1589.72 1794.89 854.52 o
20 4 2 14765.97 15010.08 921.57 o
-13 5 2 22897.84 24342.45 2430.53 o
13 5 2 482302.31 513987.16 16251.40 o
-31 1 3 3291.12 2490.62 706.92 o
-29 1 3 203171.34 208528.45 1620.61 o
-27 1 3 232190.69 240325.27 1601.84 o
-25 1 3 215779.56 224387.17 4245.99 o
-23 1 3 4884.37 5766.79 784.33 o
-21 1 3 516461.31 511741.66 2608.33 o
-19 1 3 101912.58 100457.54 1302.89 o
-17 1 3 13434.07 14498.39 972.16 o
-15 1 3 219681.73 215278.69 1769.50 o
-13 1 3 229417.69 221454.56 1865.31 o
-11 1 3 15695.80 15901.35 1468.53 o
-9 1 3 1073.05 1285.86 1466.85 o
-7 1 3 923912.81 920818.63 6307.61 o
-5 1 3 0.73 0.00 2187.54 o
-3 1 3 68646.36 71406.98 3009.51 o
-1 1 3 339460.81 352450.13 5499.43 o
1 1 3 59817.72 61119.12 2796.91 o
3 1 3 134961.09 134119.56 2617.58 o
5 1 3 1029.25 1220.79 1566.14 o
7 1 3 8999.19 9591.77 1483.05 o
9 1 3 58954.36 55626.91 1329.77 o
11 1 3 359346.44 350445.44 2009.42 o
13 1 3 421166.91 406179.66 4010.96 o
15 1 3 380021.38 371244.53 2975.34 o
17 1 3 154941.72 151972.95 1596.05 o
19 1 3 70061.43 68105.33 1040.69 o
21 1 3 160467.47 158315.14 1520.20 o
23 1 3 2853.82 8594.79 3189.19 o
25 1 3 295581.63 302480.59 2903.67 o
27 1 3 298622.41 295942.16 3143.79 o
29 1 3 22172.37 22612.72 765.17 o
-28 2 3 20827.24 21417.19 966.46 o
-26 2 3 11032.46 11081.33 859.06 o
-24 2 3 42561.67 42670.25 1238.30 o
-22 2 3 9293.36 9867.86 839.04 o
-20 2 3 54682.52 54196.56 1030.95 o
-18 2 3 208832.72 204876.88 1466.35 o
-16 2 3 22536.33 23693.25 1045.15 o
-14 2 3 40246.05 39723.70 1159.42 o
-12 2 3 123814.04 121703.19 1490.64 o
-10 2 3 92715.48 89276.48 1672.20 o
-8 2 3 267406.69 261531.06 2662.33 o
-6 2 3 22041.82 24295.46 1661.70 o
-4 2 3 283071.88 293178.63 3164.12 o
-2 2 3 1466.65 1424.87 2032.23 o
0 2 3 346.18 1012.43 1780.01 o
2 2 3 79697.35 79316.67 2196.96 o
4 2 3 22224.08 21203.60 1607.83 o
6 2 3 955316.69 945870.69 3957.43 o
8 2 3 52010.85 50771.76 1331.04 o
10 2 3 3142.87 3559.15 1136.46 o
12 2 3 215491.30 210160.56 1674.87 o
14 2 3 43665.52 42867.50 1036.15 o
16 2 3 783.56 37.93 794.73 o
18 2 3 13061.24 13226.13 841.50 o
20 2 3 348545.50 340349.94 3082.16 o
22 2 3 29254.47 29609.81 831.88 o
24 2 3 29804.61 29368.76 821.40 o
26 2 3 75759.98 77734.80 999.68 o
28 2 3 23192.11 22901.85 1121.43 o
-27 3 3 35764.04 36058.64 2134.73 o
-25 3 3 6931.75 6425.26 741.31 o
-23 3 3 11708.01 11336.12 825.28 o
-21 3 3 120910.52 122191.06 1946.57 o
-19 3 3 745.49 434.13 906.08 o
-17 3 3 30983.83 31333.59 1133.19 o
-15 3 3 78923.49 77246.30 1530.08 o
-13 3 3 36763.29 36268.89 1233.12 o
-11 3 3 27542.71 28003.24 1117.42 o
-9 3 3 1052.16 1032.19 1070.32 o
-7 3 3 385412.84 371550.25 5366.21 o
-5 3 3 31949.73 30241.88 2160.42 o
3 3 3 98433.38 97654.88 3662.15 o
5 3 3 31607.77 31262.72 1707.03 o
7 3 3 99107.06 97664.74 1701.40 o
9 3 3 57284.17 58080.83 1419.07 o
11 3 3 112124.59 111369.53 1736.99 o
13 3 3 4437.39 4538.96 821.05 o
15 3 3 86243.69 84066.44 1226.74 o
17 3 3 31971.32 31522.09 1014.40 o
19 3 3 4753.61 4845.51 750.51 o
21 3 3 450.50 634.38 708.05 o
23 3 3 2645.72 2666.59 767.77 o
25 3 3 155145.77 155812.36 1269.95 o
-22 4 3 76096.36 75298.16 2073.18 o
-20 4 3 43234.52 43237.78 1142.94 o
-18 4 3 153138.13 150066.50 1590.55 o
-16 4 3 30515.53 30504.92 1057.37 o
-14 4 3 78209.98 76343.63 1321.24 o
-12 4 3 44120.76 44153.45 1376.59 o
-10 4 3 180949.61 181390.03 3923.56 o
-8 4 3 470572.34 471577.53 17009.36 o
8 4 3 17244.64 16790.15 2278.89 o
10 4 3 16507.46 16422.44 1212.26 o
12 4 3 163203.25 161887.31 1814.11 o
14 4 3 3274.09 3737.15 1007.24 o
16 4 3 5517.40 6922.35 903.15 o
18 4 3 23744.03 25285.82 1056.57 o
20 4 3 226286.45 226230.84 5239.85 o
-13 5 3 2129.67 2454.72 2022.82 o
13 5 3 113201.85 113386.63 8442.12 o
-32 0 4 30822.05 31629.87 3110.50 o
-30 0 4 31261.55 28054.60 4313.63 o
-28 0 4 484759.06 504789.22 12542.00 o
-26 0 4 55398.21 53298.43 1353.94 o
-24 0 4 18653.87 19600.32 1243.20 o
-22 0 4 3943.50 5247.21 1249.18 o
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