#------------------------------------------------------------------------------
#$Date: 2016-04-02 23:00:40 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180898 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/38/2103867.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_2103867_Fobs
loop_
_publ_author_name
'Friese, Karen'
'Kienle, Lorenz'
'Duppel, Viola'
'Luo, Hongmei'
'Lin, Chengtian'
_publ_section_title
;
 Single-crystal X-ray diffraction and electron-microscopy study of
 multiple-twinned Sr~3~(Ru~0.336~,Pt~0.664~)CuO~6~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              182
_journal_page_last               189
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc (x+y-16/3*z,-x+y+16/3*z,1/3*z)'
_symmetry_space_group_name_H-M   'R 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.5950
_cell_length_b                   9.5950
_cell_length_c                   11.1929
_exptl_crystal_F_000             1546.00
_reflns_d_resolution_high        .5931
_cod_data_source_file            na0140Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' r1c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            832.79
_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, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'-x, -y, -z'
'-y, -x, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'-y+1/3, -x+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 1 0 62941.21 176221.06 2146.51 o
-1 2 0 80763.26 172750.58 7515.48 o
2 2 0 2461.63 23840.30 1278.56 o
-3 3 0 693545.25 1791465.50 17667.64 o
0 3 0 669469.00 1640794.75 37970.71 o
3 3 0 299417.75 790230.31 16344.30 o
-2 4 0 16887.28 26658.60 868.55 o
1 4 0 16566.33 75079.70 3768.19 o
4 4 0 158.20 22899.59 2198.86 o
-4 5 0 58349.74 96225.56 7044.85 o
-1 5 0 22760.39 80584.04 1568.32 o
2 5 0 3674.17 98111.43 2977.05 o
5 5 0 9889.45 74139.91 8939.86 o
-6 6 0 343554.91 893960.75 89463.62 o
-3 6 0 292287.34 807376.56 16704.50 o
0 6 0 320896.34 914359.62 14235.37 o
3 6 0 108231.26 236283.05 7418.77 o
6 6 0 84358.09 139450.09 16048.24 o
-5 7 0 75127.41 126524.61 12443.41 o
-2 7 0 39051.73 109676.88 3886.97 o
1 7 0 8393.02 66524.15 5132.25 o
4 7 0 8835.82 28205.95 2470.93 o
7 7 0 8683.62 6974.51 2191.76 o
-7 8 0 61421.89 96487.98 15572.89 o
-4 8 0 11817.53 27322.21 1389.37 o
-1 8 0 4814.45 66177.67 4090.48 o
2 8 0 5370.89 66511.85 4144.67 o
5 8 0 21358.50 106828.26 3179.53 o
8 8 0 31507.50 33153.07 3376.66 o
-9 9 0 41393.19 134964.20 10224.34 o
-6 9 0 73216.11 238977.25 10226.32 o
-3 9 0 60421.62 226642.05 4082.40 o
0 9 0 50287.22 132806.25 3387.70 o
3 9 0 46944.11 78583.62 5180.81 o
6 9 0 31426.64 33962.26 4903.83 o
-8 10 0 47744.93 87823.62 14014.14 o
-5 10 0 43018.80 103382.72 4800.80 o
-2 10 0 16050.43 67354.04 3441.91 o
1 10 0 18640.60 56728.65 3565.68 o
4 10 0 10716.42 14747.26 2629.52 o
-10 11 0 32050.26 79619.18 10022.58 o
-7 11 0 17888.85 40776.36 4455.56 o
-4 11 0 2629.51 25584.44 1773.25 o
-1 11 0 4392.24 47085.34 2469.67 o
2 11 0 13028.31 83385.39 6642.01 o
-12 12 0 15751.32 61344.47 5184.83 o
-9 12 0 15213.25 67417.11 2903.79 o
-6 12 0 19210.22 109446.56 6122.67 o
-3 12 0 12273.41 62249.91 5583.56 o
0 12 0 24485.23 63553.23 3094.97 o
3 12 0 19623.26 20500.50 3319.18 o
-11 13 0 39716.30 127000.95 14356.50 o
-8 13 0 44359.85 112595.19 12043.38 o
-5 13 0 38917.48 117580.32 5203.39 o
-2 13 0 35761.50 95823.41 8332.08 o
1 13 0 25495.86 46107.47 4074.32 o
-13 14 0 19449.62 47708.50 9581.67 o
-10 14 0 9110.64 23309.02 3013.53 o
-7 14 0 3084.06 10721.60 1939.94 o
-4 14 0 1644.34 11795.85 2542.67 o
-1 14 0 6042.26 24473.75 5844.39 o
-12 15 0 5036.06 16368.69 3866.96 o
-9 15 0 695.25 18193.55 2294.00 o
-6 15 0 1244.00 16511.43 4212.68 o
-3 15 0 3203.47 4350.70 1520.77 o
13 -12 1 7071.34 13654.65 3212.47 o
14 -11 1 1326.85 2016.97 1500.27 o
12 -10 1 23762.55 28173.31 9739.53 o
15 -10 1 15522.30 7690.66 2842.59 o
10 -9 1 37133.67 42606.26 7456.56 o
13 -9 1 3813.28 7953.03 3089.62 o
11 -8 1 981.82 545.78 749.76 o
14 -8 1 1372.95 2165.30 1040.57 o
9 -7 1 59589.53 46669.85 10364.47 o
12 -7 1 41057.38 37972.11 12070.83 o
15 -7 1 8756.84 3908.76 2079.42 o
7 -6 1 53576.27 57265.89 10101.34 o
10 -6 1 14377.97 14250.11 4953.61 o
13 -6 1 10255.32 3446.19 1380.26 o
8 -5 1 9175.95 2944.48 834.79 o
11 -5 1 840.39 1056.42 823.73 o
14 -5 1 831.34 3605.68 1468.29 o
6 -4 1 80791.70 51581.59 9026.25 o
9 -4 1 90766.68 54983.43 11343.27 o
12 -4 1 15605.29 7068.65 2026.48 o
15 -4 1 2737.86 888.19 2037.18 o
4 -3 1 60489.39 69096.30 9498.19 o
7 -3 1 2596.22 4866.68 1029.91 o
10 -3 1 17857.93 5271.58 1685.13 o
13 -3 1 5991.25 1261.38 1008.36 o
5 -2 1 17.21 18607.53 2753.55 o
8 -2 1 2768.57 4022.67 897.39 o
11 -2 1 11.64 1800.66 1024.39 o
14 -2 1 53.90 2937.70 1459.43 o
3 -1 1 30556.30 17023.76 1864.40 o
6 -1 1 77323.89 31022.86 3207.22 o
9 -1 1 23251.76 7377.55 1761.99 o
12 -1 1 2919.62 2010.33 1039.99 o
4 0 1 4912.27 1987.68 659.95 o
7 0 1 443.58 1117.80 689.45 o
10 0 1 4062.31 2154.72 950.46 o
13 0 1 5449.21 2719.02 1393.01 o
2 1 1 12799.29 14121.50 722.67 o
5 1 1 2528.15 31750.47 1913.91 o
8 1 1 482.09 6272.70 1839.33 o
11 1 1 3168.14 1650.68 1106.11 o
0 2 1 7116.67 3307.29 559.37 o
3 2 1 52090.07 13174.99 875.72 o
6 2 1 9436.32 4329.81 1133.24 o
9 2 1 2422.83 1460.71 1188.83 o
12 2 1 341.04 880.29 1320.84 o
-2 3 1 17554.18 18111.80 2147.90 o
1 3 1 112539.81 41588.96 2144.52 o
4 3 1 11306.81 4349.14 983.81 o
7 3 1 3678.00 5257.42 1285.22 o
10 3 1 1299.40 2863.46 1415.85 o
-1 4 1 5662.48 45255.93 4308.31 o
2 4 1 3302.59 33857.75 3274.62 o
5 4 1 21901.81 47100.80 5876.31 o
8 4 1 8719.52 3764.30 1173.91 o
11 4 1 1613.46 735.20 1416.59 o
-3 5 1 2607.07 19602.13 4318.00 o
0 5 1 4768.52 1621.16 601.47 o
3 5 1 1819.52 2390.73 1020.39 o
6 5 1 27.85 1163.21 639.56 o
9 5 1 118.24 2137.74 1124.41 o
-5 6 1 33266.54 45524.41 8697.17 o
-2 6 1 65178.26 43352.89 6286.95 o
1 6 1 75003.60 37467.49 4505.11 o
4 6 1 20490.83 9595.07 1517.88 o
7 6 1 5375.09 2796.86 970.06 o
-4 7 1 707.49 5135.26 991.76 o
-1 7 1 12112.00 38877.05 3977.60 o
2 7 1 23060.76 39748.45 3814.58 o
5 7 1 36778.24 34841.46 7143.61 o
8 7 1 8210.63 2849.22 1298.22 o
-6 8 1 2416.59 5016.76 954.40 o
-3 8 1 2735.61 4423.77 990.76 o
0 8 1 276.22 784.34 767.88 o
3 8 1 521.54 641.40 843.30 o
6 8 1 1375.48 2537.99 1390.16 o
-8 9 1 2487.80 13785.33 3733.76 o
-5 9 1 38790.05 68749.84 13776.32 o
-2 9 1 44444.22 41135.94 7920.12 o
1 9 1 38503.25 27931.09 3097.79 o
4 9 1 13425.55 2522.64 1125.05 o
7 9 1 8902.75 686.78 2221.62 o
-7 10 1 227.50 5278.90 1314.51 o
-4 10 1 2517.51 13482.88 2347.24 o
-1 10 1 28627.27 32048.85 5296.67 o
2 10 1 30345.25 19498.30 3681.67 o
5 10 1 21410.14 8370.81 3739.75 o
-9 11 1 4103.77 1247.38 940.11 o
-6 11 1 3270.18 1408.13 747.07 o
-3 11 1 387.93 1203.78 816.11 o
0 11 1 783.15 1184.59 1006.19 o
3 11 1 743.99 405.29 1398.68 o
-11 12 1 290.06 2089.23 1319.95 o
-8 12 1 622.67 8483.48 2269.07 o
-5 12 1 17234.08 38874.34 8483.22 o
-2 12 1 11520.91 21503.12 4943.33 o
1 12 1 16979.40 6003.06 1520.44 o
-10 13 1 542.73 2093.74 1284.02 o
-7 13 1 356.94 5682.81 2389.33 o
-4 13 1 6679.02 5806.33 2213.83 o
-1 13 1 20106.64 7498.85 2665.40 o
-12 14 1 12842.79 2918.08 1236.85 o
-9 14 1 6955.70 2792.01 1285.93 o
-6 14 1 3387.70 1868.95 1274.42 o
-3 14 1 175.32 1045.26 1341.12 o
-11 15 1 289.89 2915.31 1246.26 o
-8 15 1 525.65 6295.36 1662.70 o
-5 15 1 1350.27 4407.61 2241.39 o
-7 16 1 1558.84 2332.45 2951.67 o
13 -13 2 469.93 14869.86 5459.24 o
14 -12 2 11337.10 6953.44 1675.11 o
12 -11 2 10449.44 27297.44 4713.29 o
15 -11 2 16537.03 12173.96 7469.66 o
10 -10 2 1338.94 55845.01 18986.37 o
13 -10 2 2611.61 37290.49 9006.45 o
11 -9 2 8918.20 20557.62 5290.60 o
14 -9 2 8875.64 3058.13 1128.24 o
9 -8 2 10809.83 45044.13 7546.46 o
12 -8 2 30043.78 64016.57 29659.33 o
15 -8 2 28330.35 32810.74 9350.40 o
7 -7 2 33260.89 148238.80 31327.43 o
10 -7 2 31027.01 104064.54 26899.63 o
13 -7 2 16650.21 47823.12 16459.46 o
16 -7 2 15985.45 26610.17 4079.99 o
8 -6 2 6433.33 29613.42 5990.09 o
11 -6 2 6616.97 6854.04 1988.43 o
14 -6 2 12545.29 5069.89 1279.24 o
6 -5 2 12741.62 77199.30 15307.62 o
9 -5 2 50232.97 106476.85 20374.73 o
12 -5 2 53783.20 78809.75 15862.39 o
15 -5 2 35743.21 16317.59 3018.56 o
4 -4 2 80541.54 138382.39 18991.79 o
7 -4 2 89598.25 152812.62 26853.36 o
10 -4 2 67861.50 99016.02 21849.05 o
13 -4 2 44111.00 47875.25 14358.64 o
5 -3 2 1595.66 15353.01 2342.50 o
8 -3 2 1072.19 9943.48 1616.30 o
11 -3 2 3214.28 3608.26 1239.39 o
14 -3 2 1235.31 1167.45 1272.22 o
3 -2 2 23541.23 37662.21 3096.39 o
6 -2 2 71793.45 99797.16 14093.62 o
9 -2 2 99050.78 99993.84 14963.93 o
12 -2 2 61131.03 52230.40 8310.72 o
1 -1 2 91243.20 100850.41 1543.26 o
4 -1 2 143466.45 126362.20 12139.32 o
7 -1 2 152340.59 122281.67 20470.10 o
10 -1 2 121936.85 104990.98 19720.17 o
13 -1 2 44913.25 36393.36 8271.89 o
2 0 2 17448.51 12678.68 1058.97 o
5 0 2 9253.13 9544.21 1094.00 o
8 0 2 4205.49 7240.57 1472.87 o
11 0 2 435.22 1337.06 1041.17 o
0 1 2 81919.66 64402.89 1391.89 o
3 1 2 142726.31 101883.81 6096.55 o
6 1 2 147558.06 103910.67 5315.47 o
9 1 2 114487.82 87002.59 11139.24 o
12 1 2 48161.56 27207.30 5219.02 o
-2 2 2 5406.66 15730.15 1616.65 o
1 2 2 34623.48 121810.99 33800.23 o
4 2 2 156922.72 71206.66 3368.95 o
7 2 2 131472.06 78837.59 7471.93 o
10 2 2 83720.52 52533.22 8184.86 o
-1 3 2 42180.59 24415.20 780.60 o
2 3 2 35660.32 10075.63 912.35 o
5 3 2 6816.04 6320.35 1286.19 o
8 3 2 152.18 2309.47 1053.09 o
11 3 2 320.10 776.62 1601.02 o
-3 4 2 110937.03 139242.39 23457.83 o
0 4 2 127602.10 82668.42 3712.91 o
3 4 2 182223.16 101327.23 6646.72 o
6 4 2 109052.36 69554.02 7473.50 o
9 4 2 66019.57 42838.29 9492.75 o
-5 5 2 10849.48 12968.48 3038.33 o
-2 5 2 745.29 11724.67 2254.22 o
1 5 2 60164.45 38909.63 4610.58 o
4 5 2 103317.03 71834.64 5686.49 o
7 5 2 79662.33 56846.53 6934.70 o
10 5 2 52430.89 23464.41 9060.25 o
-4 6 2 79541.83 103218.80 15211.21 o
-1 6 2 105314.38 45063.70 3862.82 o
2 6 2 52924.24 17312.56 1511.29 o
5 6 2 13668.52 5038.76 1408.85 o
8 6 2 879.47 907.97 1369.97 o
-6 7 2 85390.43 155608.92 23509.68 o
-3 7 2 131289.50 121479.21 14398.75 o
0 7 2 153643.39 91813.10 6579.24 o
3 7 2 126625.81 77898.05 6547.42 o
6 7 2 58737.44 42547.84 4251.51 o
9 7 2 37000.21 4309.15 1992.76 o
-8 8 2 18063.31 8275.36 3539.30 o
-5 8 2 17881.71 6559.00 2638.69 o
-2 8 2 8119.33 18983.83 2557.52 o
1 8 2 25944.26 26152.86 1830.69 o
4 8 2 52784.39 40911.16 5392.64 o
7 8 2 34019.29 25100.64 11626.15 o
-7 9 2 53442.73 109320.29 21936.35 o
-4 9 2 104869.56 91891.56 17023.50 o
-1 9 2 66958.12 29788.21 2921.29 o
2 9 2 38514.46 13437.46 1706.15 o
5 9 2 5843.35 2002.77 1418.66 o
-9 10 2 48299.32 93405.12 24825.47 o
-6 10 2 66811.77 96366.40 21143.68 o
-3 10 2 104365.57 85640.16 14934.75 o
0 10 2 65762.96 40214.95 5393.61 o
3 10 2 41137.41 24257.54 2510.62 o
-11 11 2 5088.95 223.86 2009.30 o
-8 11 2 11122.50 2248.22 860.15 o
-5 11 2 266.84 7870.42 1891.70 o
-2 11 2 5357.48 14285.87 3091.03 o
1 11 2 18229.34 21672.49 2663.84 o
4 11 2 20901.16 8042.79 2175.96 o
-10 12 2 25662.80 54434.79 18789.73 o
-7 12 2 60777.96 80661.25 21647.63 o
-4 12 2 71165.66 54930.35 11611.40 o
-1 12 2 57712.91 26053.42 4810.96 o
2 12 2 23878.38 8057.96 1803.69 o
-12 13 2 15796.89 41827.49 12517.67 o
-9 13 2 35586.55 58653.77 11278.91 o
-6 13 2 55159.15 48352.42 11094.94 o
-3 13 2 52726.98 33575.05 6616.99 o
0 13 2 23782.03 6484.98 2823.21 o
-11 14 2 1178.22 602.17 1083.84 o
-8 14 2 747.97 3262.79 1215.40 o
-5 14 2 1680.26 1834.65 853.25 o
-2 14 2 8945.02 5341.09 1607.68 o
-10 15 2 22018.26 42550.96 11411.54 o
-7 15 2 27303.43 39247.45 3407.74 o
-4 15 2 37824.59 18746.21 4837.02 o
14 -13 3 1314.45 3629.36 1775.17 o
15 -12 3 118.24 803.36 1973.20 o
13 -11 3 319.57 2077.38 972.08 o
11 -10 3 2876.84 5260.69 2121.06 o
14 -10 3 7499.76 11595.02 1878.21 o
12 -9 3 135.93 3271.34 1109.70 o
15 -9 3 1020.33 6886.13 1562.26 o
10 -8 3 5089.98 36652.54 2061.76 o
13 -8 3 2361.30 9253.60 1530.49 o
8 -7 3 459.44 29087.20 2562.22 o
11 -7 3 10681.04 25356.74 4610.74 o
14 -7 3 8761.49 22805.08 1970.99 o
9 -6 3 6.34 1528.75 931.17 o
12 -6 3 697.22 1482.97 820.23 o
15 -6 3 5886.37 12773.24 2708.82 o
7 -5 3 25979.56 108347.38 4699.96 o
10 -5 3 11150.44 49246.88 1996.42 o
13 -5 3 507.67 9034.58 1515.84 o
5 -4 3 24368.93 166549.66 6690.85 o
8 -4 3 3047.17 75657.55 6734.77 o
11 -4 3 3278.79 22411.29 1767.60 o
14 -4 3 2486.84 5753.61 1599.96 o
6 -3 3 4865.48 14784.84 1170.18 o
9 -3 3 82.02 844.64 787.29 o
12 -3 3 3770.20 5430.69 1424.32 o
15 -3 3 6835.60 14962.62 7941.53 o
4 -2 3 265817.78 663340.31 10365.78 o
7 -2 3 71233.76 114742.96 2433.49 o
10 -2 3 15793.86 42227.01 1897.29 o
13 -2 3 170.60 1040.54 1195.94 o
2 -1 3 108844.77 442128.41 28019.17 o
5 -1 3 18365.22 165499.59 12887.16 o
8 -1 3 1213.99 34813.15 3237.36 o
11 -1 3 2.96 4385.07 1184.21 o
14 -1 3 1074.72 3941.42 1965.08 o
3 0 3 7140.91 14015.49 904.70 o
6 0 3 5025.99 10836.72 1191.39 o
9 0 3 970.30 3660.68 1213.10 o
12 0 3 3260.44 6948.70 1556.18 o
1 1 3 254930.77 462221.84 10478.95 o
4 1 3 132278.97 221576.92 10244.07 o
7 1 3 31082.72 50805.46 3422.37 o
10 1 3 874.74 5591.51 1420.44 o
13 1 3 307.37 2918.60 1715.39 o
-1 2 3 110749.00 408077.94 5810.26 o
2 2 3 140692.80 576719.25 13716.83 o
5 2 3 23439.98 91914.51 7634.79 o
8 2 3 19073.60 45564.91 3157.62 o
11 2 3 1584.81 1154.05 1231.32 o
0 3 3 7746.17 12904.82 815.10 o
3 3 3 8535.57 15248.90 1784.52 o
6 3 3 67.94 657.45 755.42 o
9 3 3 132.36 3223.37 1291.84 o
12 3 3 621.37 7251.90 3074.43 o
-2 4 3 277421.22 619861.50 15933.00 o
1 4 3 158660.19 193719.97 5202.34 o
4 4 3 76421.22 98818.31 8856.36 o
7 4 3 5798.29 21424.64 1937.02 o
10 4 3 41.86 4026.57 1443.79 o
-4 5 3 20698.88 175658.64 3456.26 o
-1 5 3 21188.64 139527.53 7309.03 o
2 5 3 13540.91 100628.64 2152.33 o
5 5 3 24321.59 51135.57 3635.78 o
8 5 3 5730.61 14065.24 1851.48 o
-3 6 3 4116.94 15152.45 901.80 o
0 6 3 5778.88 9880.48 1218.08 o
3 6 3 151.37 1755.44 816.47 o
6 6 3 172.64 1763.65 845.96 o
9 6 3 218.07 5536.84 1792.94 o
-5 7 3 34628.15 99307.85 4343.23 o
-2 7 3 60883.98 127262.05 4179.07 o
1 7 3 36146.27 46463.51 3085.19 o
4 7 3 3258.81 21239.65 1871.64 o
7 7 3 10.16 10220.98 3224.27 o
-7 8 3 110.05 31450.68 1610.93 o
-4 8 3 3479.79 72161.73 2621.63 o
-1 8 3 2538.00 27822.24 1632.23 o
2 8 3 20665.93 45565.98 2254.51 o
5 8 3 10035.02 8624.94 2138.84 o
-6 9 3 43.35 1150.40 689.84 o
-3 9 3 26.08 1222.64 744.10 o
0 9 3 1799.71 1877.81 992.65 o
3 9 3 306.37 2561.98 1321.01 o
6 9 3 48.69 5357.70 2304.87 o
-8 10 3 6143.51 36348.57 1879.84 o
-5 10 3 14985.70 45932.76 2095.97 o
-2 10 3 17496.49 43197.98 2034.55 o
1 10 3 2381.64 4222.67 1354.20 o
4 10 3 68.49 6854.58 1981.60 o
-10 11 3 4177.33 7530.82 1396.89 o
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