#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2201767.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_2201767_Fobs
loop_
_publ_author_name
'Smith, Mark D.'
'Loye, Hans-Conrad zur'
_publ_section_title
;
 Sr~3~MgPtO~6~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i75
_journal_page_last               i76
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.6432
_cell_length_b                   9.6432
_cell_length_c                   11.1112
_exptl_crystal_F_000             1512.00
_reflns_d_resolution_high        0.6002
_[local]_cod_data_source_file    br6088Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' srmgpt1t in R-3c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            846.63
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
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
-1 2 0 68454.01 67607.88 4819.58 o
0 3 0 716776.63 724091.00 20196.47 o
-2 4 0 20342.48 17937.19 2482.40 o
-1 5 0 56706.48 56127.15 1729.59 o
-3 6 0 408118.78 406862.63 4286.32 o
0 6 0 460331.69 427442.78 5433.58 o
-2 7 0 89638.45 85478.11 1196.12 o
-4 8 0 29212.45 28251.64 1160.16 o
-1 8 0 62976.80 60744.82 979.18 o
-3 9 0 152500.28 156563.88 2422.32 o
0 9 0 94938.39 93862.93 1977.05 o
-5 10 0 103187.39 118457.79 3808.63 o
-2 10 0 77858.35 75935.77 1881.26 o
-4 11 0 37192.39 37567.68 1209.40 o
-1 11 0 52854.93 52249.05 1401.79 o
-6 12 0 80442.14 82414.51 2650.08 o
-3 12 0 57858.35 62484.60 1841.24 o
0 12 0 44342.49 44028.97 3522.04 o
-5 13 0 132150.66 141801.39 3600.60 o
-2 13 0 94648.33 92533.54 3214.72 o
-7 14 0 20667.09 22733.21 2388.16 o
-4 14 0 25662.87 26751.06 1681.74 o
-1 14 0 46840.64 45917.95 3005.96 o
-6 15 0 18686.25 21517.48 1685.88 o
-3 15 0 20195.15 20381.32 2326.15 o
-8 16 0 118896.66 123437.09 10901.75 o
-2 3 1 5346.74 6415.23 553.44 o
-1 4 1 65979.63 63412.74 2083.50 o
-3 5 1 13981.22 13795.63 661.31 o
-5 6 1 31929.30 30488.38 711.74 o
-2 6 1 40083.80 40633.19 985.02 o
-4 7 1 10310.18 9819.61 541.13 o
-1 7 1 73894.21 70387.63 1006.32 o
-6 8 1 202.95 445.71 253.76 o
-3 8 1 27.00 334.81 235.18 o
-8 9 1 4112.92 4356.73 417.77 o
-5 9 1 41886.40 42848.66 1102.29 o
-2 9 1 53977.91 53255.31 1159.96 o
-7 10 1 18484.78 17825.55 783.41 o
-4 10 1 38939.19 39658.25 1157.27 o
-1 10 1 68915.26 66283.37 1336.94 o
-9 11 1 5.89 -0.48 367.17 o
-6 11 1 195.42 222.99 406.50 o
-3 11 1 7.76 142.14 379.08 o
-11 12 1 55.65 -231.87 640.45 o
-8 12 1 2280.48 3440.35 640.92 o
-5 12 1 35129.35 37271.02 1441.15 o
-2 12 1 36225.75 37389.94 1978.77 o
-10 13 1 1356.41 1598.54 807.70 o
-7 13 1 18211.35 19473.45 1672.59 o
-4 13 1 26453.83 28357.72 1631.19 o
-1 13 1 34581.19 37143.81 2595.43 o
-12 14 1 9572.97 12118.61 1609.10 o
-9 14 1 1791.74 3171.49 941.61 o
-6 14 1 1194.15 1513.05 813.08 o
-3 14 1 38.18 752.09 1110.49 o
-11 15 1 77.99 267.80 942.17 o
-8 15 1 4581.02 4840.18 1268.92 o
-5 15 1 16638.42 19667.20 1882.15 o
-7 16 1 10126.27 11299.69 2909.88 o
0 1 2 204042.61 166040.84 3057.35 o
-2 2 2 61994.08 67489.97 1089.17 o
-1 3 2 92645.59 97185.58 7477.81 o
-3 4 2 236942.92 228012.84 4468.83 o
0 4 2 172637.89 166532.77 4762.12 o
-5 5 2 2293.83 2916.63 369.62 o
-2 5 2 13928.92 11899.03 765.30 o
-4 6 2 150194.27 139357.39 2335.53 o
-1 6 2 76352.68 73264.98 1272.26 o
-6 7 2 172442.09 172590.22 1803.51 o
-3 7 2 179524.00 189395.59 3645.43 o
0 7 2 130092.39 129100.38 1928.83 o
-8 8 2 755.56 865.47 417.79 o
-5 8 2 1175.86 1456.38 321.12 o
-2 8 2 23321.21 22503.98 658.31 o
-7 9 2 133017.70 128760.36 1755.24 o
-4 9 2 118872.46 121142.98 1824.55 o
-1 9 2 43383.11 42212.86 937.69 o
-9 10 2 153335.64 145267.66 1904.64 o
-6 10 2 105720.16 110952.10 1898.59 o
-3 10 2 105510.27 106956.79 1894.48 o
0 10 2 36640.27 33724.99 1897.97 o
-11 11 2 1112.18 1634.10 887.33 o
-8 11 2 2377.69 2406.25 517.27 o
-5 11 2 4034.40 4543.87 633.98 o
-2 11 2 23472.16 22999.42 1053.99 o
-10 12 2 101006.13 103249.57 3139.50 o
-7 12 2 100161.52 99381.65 2470.49 o
-4 12 2 87008.20 93899.29 3957.65 o
-1 12 2 57577.96 53377.66 4079.04 o
-12 13 2 78504.72 76152.48 3011.21 o
-9 13 2 87916.04 91274.31 2600.62 o
-6 13 2 60476.48 65441.81 2470.50 o
-3 13 2 35187.90 36842.40 2359.16 o
0 13 2 13854.75 9828.23 2756.03 o
-11 14 2 220.05 412.78 860.09 o
-8 14 2 3712.99 5066.21 1124.68 o
-5 14 2 9272.72 11568.83 1398.24 o
-2 14 2 42852.83 46772.50 3828.33 o
-10 15 2 74712.82 76630.62 3064.80 o
-7 15 2 57881.16 58097.91 2696.50 o
-4 15 2 61122.33 64760.10 2980.08 o
-1 2 3 158324.56 161711.88 3898.37 o
-2 4 3 217263.33 223414.17 12147.40 o
-4 5 3 48552.48 47720.02 1142.56 o
-1 5 3 64017.96 64391.26 1728.33 o
-3 6 3 341.49 456.12 232.47 o
-5 7 3 35626.43 33755.13 765.91 o
-2 7 3 19064.26 17663.63 577.10 o
-7 8 3 6465.98 6316.62 433.28 o
-4 8 3 25924.92 24669.03 867.67 o
-1 8 3 10428.14 9884.30 548.81 o
-6 9 3 3470.92 3687.77 494.22 o
-3 9 3 4422.52 5060.80 550.63 o
-8 10 3 7537.09 7651.10 589.80 o
-5 10 3 8491.71 8394.04 822.23 o
-2 10 3 8453.17 8650.82 695.19 o
-10 11 3 1028.63 1306.77 493.69 o
-7 11 3 520.81 610.11 444.89 o
-4 11 3 3407.90 3503.21 610.79 o
-1 11 3 214.57 309.51 641.56 o
-9 12 3 4989.76 4998.99 801.78 o
-6 12 3 10556.97 12057.00 1106.82 o
-3 12 3 4242.36 5386.72 996.29 o
-11 13 3 58.13 335.76 783.31 o
-8 13 3 47.47 378.91 632.76 o
-5 13 3 1385.52 1483.12 789.29 o
-2 13 3 1784.00 2628.68 1169.61 o
-13 14 3 3923.05 5432.22 2003.48 o
-10 14 3 6525.41 7066.18 1232.07 o
-7 14 3 8463.48 9631.95 1437.77 o
-4 14 3 5578.68 6487.24 1217.24 o
-1 14 3 2034.96 2634.14 2077.46 o
-9 15 3 16442.02 18545.82 1813.84 o
-6 15 3 15023.03 16415.13 1667.97 o
-1 1 4 66628.92 64762.50 9362.19 o
0 2 4 302460.34 291485.94 6058.14 o
-2 3 4 235951.38 247715.33 6637.51 o
-4 4 4 74958.59 77865.16 1423.75 o
-1 4 4 102520.59 101488.71 2943.55 o
-3 5 4 342666.28 355891.56 5194.68 o
0 5 4 316756.84 310513.97 5701.58 o
-5 6 4 97147.64 94032.18 1094.92 o
-2 6 4 66501.63 65075.54 1222.03 o
-7 7 4 29015.82 28598.94 1072.21 o
-4 7 4 46972.05 47507.45 1052.03 o
-1 7 4 16765.00 16215.53 818.25 o
-6 8 4 181181.03 179155.13 1975.02 o
-3 8 4 347218.88 357171.44 6692.82 o
0 8 4 335570.06 345267.47 4721.56 o
-8 9 4 96100.81 91924.72 1658.20 o
-5 9 4 58723.18 57505.43 1665.95 o
-2 9 4 30624.24 29602.91 1115.40 o
-10 10 4 72005.99 66097.15 2295.99 o
-7 10 4 46842.57 46426.05 1328.16 o
-4 10 4 31686.11 31686.69 1250.93 o
-1 10 4 20834.61 21925.26 1076.27 o
-9 11 4 102348.23 97841.32 2012.28 o
-6 11 4 172574.44 177965.89 3397.10 o
-3 11 4 260745.63 269310.59 8585.11 o
0 11 4 227772.91 241916.83 10753.86 o
-11 12 4 34267.48 32291.18 1710.32 o
-8 12 4 27018.46 26721.96 1496.06 o
-5 12 4 15454.31 15986.25 1192.04 o
-2 12 4 14113.47 14861.13 1696.10 o
-13 13 4 71408.48 63310.33 4055.22 o
-10 13 4 56388.07 55712.98 2407.20 o
-7 13 4 29750.00 29201.71 1750.60 o
-4 13 4 17217.52 16980.85 1449.22 o
-1 13 4 11112.38 13114.67 2511.18 o
-12 14 4 36790.18 37707.11 3384.04 o
-9 14 4 91764.27 86206.47 3023.79 o
-6 14 4 133055.22 137778.33 5444.71 o
-3 14 4 155758.48 154846.06 11058.73 o
-11 15 4 22681.10 25751.76 2191.70 o
-8 15 4 24983.39 28106.99 1957.22 o
-5 15 4 21292.92 22933.27 1839.60 o
-1 3 5 25903.67 24559.13 1543.38 o
-3 4 5 16906.70 16294.38 435.41 o
-2 5 5 239.86 577.34 202.57 o
-4 6 5 34330.67 34146.20 741.39 o
-1 6 5 25631.83 24874.51 699.62 o
-6 7 5 69397.70 67076.14 1048.47 o
-3 7 5 19104.13 17745.61 641.40 o
-5 8 5 2965.73 2437.41 388.56 o
-2 8 5 638.29 949.67 375.41 o
-7 9 5 54603.74 53277.81 1450.93 o
-4 9 5 23546.66 23675.94 1058.30 o
-1 9 5 6251.36 6110.51 623.48 o
-9 10 5 51488.10 47394.36 1724.88 o
-6 10 5 32137.84 31126.27 1405.96 o
-3 10 5 10754.77 10241.92 812.93 o
-8 11 5 1163.86 1603.59 686.23 o
-5 11 5 3.53 583.88 532.43 o
-2 11 5 838.29 1094.14 572.24 o
-10 12 5 31287.94 28630.02 2490.18 o
-7 12 5 35654.64 38864.26 4416.06 o
-4 12 5 2784.32 3860.43 906.06 o
-1 12 5 19.78 106.03 820.97 o
-12 13 5 37278.50 33838.56 3116.10 o
-9 13 5 26371.10 25553.58 1763.20 o
-6 13 5 19675.21 21399.19 1588.48 o
-3 13 5 2235.70 2929.26 999.96 o
-11 14 5 811.67 1419.69 1200.82 o
-8 14 5 489.68 584.45 785.72 o
-5 14 5 715.95 775.14 816.50 o
-2 14 5 6438.98 8741.71 1877.83 o
-10 15 5 13564.60 14664.57 1792.32 o
-7 15 5 3291.98 3554.87 1233.10 o
0 0 6 42397.90 51716.56 1951.57 o
-1 2 6 259058.22 268881.81 15165.90 o
-3 3 6 8908.21 10815.73 661.09 o
0 3 6 767.89 1391.76 397.07 o
-2 4 6 223428.39 232435.30 2261.27 o
-4 5 6 159941.88 166375.23 1660.51 o
-1 5 6 185701.38 185581.98 2267.66 o
-6 6 6 1255.55 1461.40 389.58 o
-3 6 6 858.34 984.58 249.91 o
0 6 6 959.24 1419.43 445.56 o
-5 7 6 108353.70 103470.91 2006.83 o
-2 7 6 86370.34 87279.84 1522.45 o
-7 8 6 90456.61 85792.73 2038.09 o
-4 8 6 134401.78 132452.73 2014.75 o
-1 8 6 96147.92 92868.04 1866.69 o
-9 9 6 20673.92 17675.44 1869.30 o
-6 9 6 29836.87 29314.38 1282.84 o
-3 9 6 13021.68 13594.45 842.20 o
0 9 6 46970.68 42752.36 2350.44 o
-8 10 6 41048.72 37457.11 1479.50 o
-5 10 6 35574.31 35160.84 1485.69 o
-2 10 6 43022.17 40638.21 2265.07 o
-10 11 6 42006.14 39371.98 2056.31 o
-7 11 6 93850.19 89048.71 5078.33 o
-4 11 6 71344.49 71341.26 3605.99 o
-1 11 6 55643.33 54475.41 2130.24 o
-12 12 6 50385.89 48033.91 3567.85 o
-9 12 6 48197.71 45709.08 3657.38 o
-6 12 6 38503.69 39424.39 2526.00 o
-3 12 6 40029.12 40880.48 1801.96 o
0 12 6 42849.45 44773.07 3460.57 o
-11 13 6 17635.73 17698.88 2476.33 o
-8 13 6 6466.64 7569.02 1461.28 o
-5 13 6 9024.13 10481.03 1322.44 o
-2 13 6 11158.43 13279.86 1633.18 o
-10 14 6 55091.63 59800.21 3205.58 o
-7 14 6 70577.52 70746.66 2861.12 o
-4 14 6 58099.73 56333.32 3528.05 o
-9 15 6 45724.68 48209.09 3096.88 o
-6 15 6 70262.91 71701.84 3590.43 o
-2 3 7 2509.76 2909.55 358.38 o
-1 4 7 36240.16 35206.27 749.48 o
-3 5 7 13481.53 13182.95 583.76 o
-5 6 7 13640.72 13311.32 646.63 o
-2 6 7 40905.79 40115.91 827.40 o
-4 7 7 9834.38 9968.32 593.47 o
-1 7 7 40301.91 38932.64 1107.67 o
-6 8 7 1766.80 1883.26 389.32 o
-3 8 7 710.48 1003.60 410.45 o
-8 9 7 2280.79 3294.82 658.84 o
-5 9 7 33718.93 31798.58 1246.33 o
-2 9 7 44086.93 40396.91 1275.90 o
-7 10 7 12416.90 11020.96 1036.29 o
-4 10 7 36327.50 35632.95 1737.17 o
-1 10 7 54521.93 55891.69 2151.86 o
-9 11 7 121.34 310.14 735.43 o
-6 11 7 4.31 233.62 650.45 o
-3 11 7 984.83 1402.95 681.94 o
-11 12 7 190.71 976.20 880.31 o
-8 12 7 5284.27 5812.17 1548.90 o
-5 12 7 19114.78 20190.65 2164.22 o
-2 12 7 37661.84 36613.85 1907.35 o
-10 13 7 1855.34 1947.64 1470.52 o
-7 13 7 10623.47 11450.17 1627.04 o
-4 13 7 24414.84 26546.82 1692.45 o
-1 13 7 20234.79 20473.23 2327.31 o
-9 14 7 2923.04 4629.12 1444.16 o
-6 14 7 306.95 409.24 879.26 o
-3 14 7 481.20 1301.94 1245.01 o
0 1 8 149241.41 158662.47 2717.48 o
-2 2 8 196445.23 211903.86 2733.51 o
-1 3 8 107175.66 110878.98 1386.85 o
-3 4 8 38404.42 40338.13 1104.51 o
0 4 8 49309.91 52633.71 1323.49 o
-5 5 8 313400.59 337955.38 5100.21 o
-2 5 8 190312.14 202373.78 2031.64 o
-4 6 8 53647.74 53678.21 1562.43 o
-1 6 8 126553.76 129817.14 1597.97 o
-6 7 8 41374.94 42055.20 1256.45 o
-3 7 8 28369.30 28072.34 897.34 o
0 7 8 55872.14 56034.72 2366.38 o
-8 8 8 259933.48 237548.02 7060.40 o
-5 8 8 246323.89 249715.56 5646.93 o
-2 8 8 146124.94 150787.86 3016.67 o
-7 9 8 18864.54 16944.09 1069.87 o
-4 9 8 28751.45 28545.20 1744.52 o
-1 9 8 63407.04 67629.73 1927.95 o
-9 10 8 8268.48 8572.39 1165.63 o
-6 10 8 24429.61 23132.93 1659.68 o
-3 10 8 30478.97 29252.77 1375.14 o
0 10 8 52041.21 46065.57 3181.57 o
-11 11 8 197963.36 200226.86 7758.31 o
-8 11 8 212375.13 211268.11 5051.24 o
-5 11 8 161123.38 169007.14 5656.43 o
-2 11 8 77322.96 75423.91 3578.21 o
-10 12 8 15622.24 18521.36 1983.99 o
-7 12 8 23937.35 26267.53 2647.53 o
-4 12 8 28761.27 28713.96 1910.77 o
-1 12 8 37057.51 36927.03 2321.44 o
-12 13 8 17372.30 17800.62 2174.76 o
-9 13 8 18606.92 18519.78 2512.71 o
-6 13 8 39684.07 38209.54 3075.03 o
-3 13 8 54275.04 52324.12 3913.21 o
-8 14 8 109635.77 112611.09 5521.53 o
-5 14 8 77640.90 73249.23 3894.49 o
-1 2 9 93557.41 93093.47 1542.56 o
-2 4 9 57205.77 59453.61 1257.53 o
-4 5 9 37333.45 37663.50 1168.04 o
-1 5 9 51608.02 51123.93 1091.20 o
-3 6 9 660.37 1111.55 378.21 o
-5 7 9 34161.47 33262.41 1163.59 o
-2 7 9 15897.99 15895.99 773.61 o
-7 8 9 4113.26 4215.17 644.70 o
-4 8 9 6506.06 6012.90 631.29 o
-1 8 9 8575.99 8007.20 875.31 o
-6 9 9 1613.62 1957.82 609.84 o
-3 9 9 2268.40 2684.88 677.75 o
-8 10 9 1731.07 1217.25 654.53 o
-5 10 9 6944.92 8132.51 1243.26 o
-2 10 9 2609.75 4030.70 1053.72 o
-10 11 9 724.75 871.33 834.64 o
-7 11 9 174.67 143.49 886.98 o
-4 11 9 1667.50 2402.60 1074.89 o
-1 11 9 21.26 62.04 900.60 o
-9 12 9 4930.06 5257.17 1340.12 o
-6 12 9 8450.16 9146.91 1546.95 o
-3 12 9 4107.47 3880.30 1398.20 o
-11 13 9 431.55 180.59 1331.58 o
-8 13 9 37.28 1096.98 1526.80 o
-5 13 9 2349.38 3552.32 1430.15 o
-2 13 9 1077.01 818.73 1312.30 o
-7 14 9 8451.38 8658.22 1812.60 o
-1 1 10 107421.49 112073.11 2888.97 o
0 2 10 24100.00 23748.73 1226.79 o
-2 3 10 55174.61 54844.30 1354.17 o
-4 4 10 127124.84 136129.73 4119.62 o
-1 4 10 90576.80 100076.79 1743.36 o
-3 5 10 11345.25 12509.63 811.35 o
0 5 10 2587.66 3088.65 670.64 o
-5 6 10 53961.76 53580.29 1500.15 o
-2 6 10 94306.90 96020.73 1882.39 o
-7 7 10 102283.05 104530.73 3234.99 o
-4 7 10 100831.38 98543.70 1967.77 o
-1 7 10 131849.33 137399.44 3481.87 o
-6 8 10 9861.05 10164.53 871.99 o
-3 8 10 655.44 879.22 447.37 o
0 8 10 2603.79 1921.47 1310.45 o
-8 9 10 42841.63 40921.79 1598.90 o
-5 9 10 62294.90 60085.42 1816.71 o
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