#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2012179.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_2012179_Fobs
loop_
_publ_author_name
'Cruz, Luisa Paula'
'Savariault, Jean-Michel'
'Rocha, Jo\~ao'
_publ_section_title
;
 Pyrochlore-type tin niobate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1001
_journal_page_last               1003
_journal_volume                  57
_journal_year                    2001
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   10.5388(21)
_cell_length_b                   10.5388(21)
_cell_length_c                   10.5388(21)
_exptl_crystal_F_000             1645.00
_reflns_d_resolution_high        0.5617
_[local]_cod_data_source_file    br1329Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     'Pyrochlore type tin niobate'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            914.38
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, z, y'
'y+1/4, -z, x+1/4'
'y+1/4, x+1/4, -z'
'x+1/4, -z, y+1/4'
'-z, y+1/4, x+1/4'
'z+1/4, x+1/4, -y'
'y+1/4, z+1/4, -x'
'z+1/4, y+1/4, -x'
'-z+1/4, x, -y+1/4'
'x+1/4, z+1/4, -y'
'y, -z+1/4, -x+1/4'
'x, -z+1/4, -y+1/4'
'-z+1/4, y, -x+1/4'
'x+1/4, -y, z+1/4'
'y+1/4, -x, z+1/4'
'x, -y+1/4, -z+1/4'
'y, -x+1/4, -z+1/4'
'-y, -z, -x'
'-x+1/4, -y+1/4, z'
'-y, -x, -z'
'-z, -x, -y'
'-z, -y, -x'
'z, -x+1/4, -y+1/4'
'x, y+1/2, z+1/2'
'x, z+1/2, y+1/2'
'y+1/4, -z+1/2, x+3/4'
'y+1/4, x+3/4, -z+1/2'
'x+1/4, -z+1/2, y+3/4'
'-z, y+3/4, x+3/4'
'z+1/4, x+3/4, -y+1/2'
'y+1/4, z+3/4, -x+1/2'
'z+1/4, y+3/4, -x+1/2'
'-z+1/4, x+1/2, -y+3/4'
'x+1/4, z+3/4, -y+1/2'
'y, -z+3/4, -x+3/4'
'x, -z+3/4, -y+3/4'
'-z+1/4, y+1/2, -x+3/4'
'x+1/4, -y+1/2, z+3/4'
'y+1/4, -x+1/2, z+3/4'
'x, -y+3/4, -z+3/4'
'y, -x+3/4, -z+3/4'
'-y, -z+1/2, -x+1/2'
'-x+1/4, -y+3/4, z+1/2'
'-y, -x+1/2, -z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, -y+1/2, -x+1/2'
'z, -x+3/4, -y+3/4'
'x+1/2, y, z+1/2'
'x+1/2, z, y+1/2'
'y+3/4, -z, x+3/4'
'y+3/4, x+1/4, -z+1/2'
'x+3/4, -z, y+3/4'
'-z+1/2, y+1/4, x+3/4'
'z+3/4, x+1/4, -y+1/2'
'y+3/4, z+1/4, -x+1/2'
'z+3/4, y+1/4, -x+1/2'
'-z+3/4, x, -y+3/4'
'x+3/4, z+1/4, -y+1/2'
'y+1/2, -z+1/4, -x+3/4'
'x+1/2, -z+1/4, -y+3/4'
'-z+3/4, y, -x+3/4'
'x+3/4, -y, z+3/4'
'y+3/4, -x, z+3/4'
'x+1/2, -y+1/4, -z+3/4'
'y+1/2, -x+1/4, -z+3/4'
'-y+1/2, -z, -x+1/2'
'-x+3/4, -y+1/4, z+1/2'
'-y+1/2, -x, -z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, -y, -x+1/2'
'z+1/2, -x+1/4, -y+3/4'
'x+1/2, y+1/2, z'
'x+1/2, z+1/2, y'
'y+3/4, -z+1/2, x+1/4'
'y+3/4, x+3/4, -z'
'x+3/4, -z+1/2, y+1/4'
'-z+1/2, y+3/4, x+1/4'
'z+3/4, x+3/4, -y'
'y+3/4, z+3/4, -x'
'z+3/4, y+3/4, -x'
'-z+3/4, x+1/2, -y+1/4'
'x+3/4, z+3/4, -y'
'y+1/2, -z+3/4, -x+1/4'
'x+1/2, -z+3/4, -y+1/4'
'-z+3/4, y+1/2, -x+1/4'
'x+3/4, -y+1/2, z+1/4'
'y+3/4, -x+1/2, z+1/4'
'x+1/2, -y+3/4, -z+1/4'
'y+1/2, -x+3/4, -z+1/4'
'-y+1/2, -z+1/2, -x'
'-x+3/4, -y+3/4, z'
'-y+1/2, -x+1/2, -z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, -y+1/2, -x'
'z+1/2, -x+3/4, -y+1/4'
'-x, -y, -z'
'-x, -z, -y'
'-y-1/4, z, -x-1/4'
'-y-1/4, -x-1/4, z'
'-x-1/4, z, -y-1/4'
'z, -y-1/4, -x-1/4'
'-z-1/4, -x-1/4, y'
'-y-1/4, -z-1/4, x'
'-z-1/4, -y-1/4, x'
'z-1/4, -x, y-1/4'
'-x-1/4, -z-1/4, y'
'-y, z-1/4, x-1/4'
'-x, z-1/4, y-1/4'
'z-1/4, -y, x-1/4'
'-x-1/4, y, -z-1/4'
'-y-1/4, x, -z-1/4'
'-x, y-1/4, z-1/4'
'-y, x-1/4, z-1/4'
'y, z, x'
'x-1/4, y-1/4, -z'
'y, x, z'
'z, x, y'
'z, y, x'
'-z, x-1/4, y-1/4'
'-x, -y+1/2, -z+1/2'
'-x, -z+1/2, -y+1/2'
'-y-1/4, z+1/2, -x+1/4'
'-y-1/4, -x+1/4, z+1/2'
'-x-1/4, z+1/2, -y+1/4'
'z, -y+1/4, -x+1/4'
'-z-1/4, -x+1/4, y+1/2'
'-y-1/4, -z+1/4, x+1/2'
'-z-1/4, -y+1/4, x+1/2'
'z-1/4, -x+1/2, y+1/4'
'-x-1/4, -z+1/4, y+1/2'
'-y, z+1/4, x+1/4'
'-x, z+1/4, y+1/4'
'z-1/4, -y+1/2, x+1/4'
'-x-1/4, y+1/2, -z+1/4'
'-y-1/4, x+1/2, -z+1/4'
'-x, y+1/4, z+1/4'
'-y, x+1/4, z+1/4'
'y, z+1/2, x+1/2'
'x-1/4, y+1/4, -z+1/2'
'y, x+1/2, z+1/2'
'z, x+1/2, y+1/2'
'z, y+1/2, x+1/2'
'-z, x+1/4, y+1/4'
'-x+1/2, -y, -z+1/2'
'-x+1/2, -z, -y+1/2'
'-y+1/4, z, -x+1/4'
'-y+1/4, -x-1/4, z+1/2'
'-x+1/4, z, -y+1/4'
'z+1/2, -y-1/4, -x+1/4'
'-z+1/4, -x-1/4, y+1/2'
'-y+1/4, -z-1/4, x+1/2'
'-z+1/4, -y-1/4, x+1/2'
'z+1/4, -x, y+1/4'
'-x+1/4, -z-1/4, y+1/2'
'-y+1/2, z-1/4, x+1/4'
'-x+1/2, z-1/4, y+1/4'
'z+1/4, -y, x+1/4'
'-x+1/4, y, -z+1/4'
'-y+1/4, x, -z+1/4'
'-x+1/2, y-1/4, z+1/4'
'-y+1/2, x-1/4, z+1/4'
'y+1/2, z, x+1/2'
'x+1/4, y-1/4, -z+1/2'
'y+1/2, x, z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, y, x+1/2'
'-z+1/2, x-1/4, y+1/4'
'-x+1/2, -y+1/2, -z'
'-x+1/2, -z+1/2, -y'
'-y+1/4, z+1/2, -x-1/4'
'-y+1/4, -x+1/4, z'
'-x+1/4, z+1/2, -y-1/4'
'z+1/2, -y+1/4, -x-1/4'
'-z+1/4, -x+1/4, y'
'-y+1/4, -z+1/4, x'
'-z+1/4, -y+1/4, x'
'z+1/4, -x+1/2, y-1/4'
'-x+1/4, -z+1/4, y'
'-y+1/2, z+1/4, x-1/4'
'-x+1/2, z+1/4, y-1/4'
'z+1/4, -y+1/2, x-1/4'
'-x+1/4, y+1/2, -z-1/4'
'-y+1/4, x+1/2, -z-1/4'
'-x+1/2, y+1/4, z-1/4'
'-y+1/2, x+1/4, z-1/4'
'y+1/2, z+1/2, x'
'x+1/4, y+1/4, -z'
'y+1/2, x+1/2, z'
'z+1/2, x+1/2, y'
'z+1/2, y+1/2, x'
'-z+1/2, x+1/4, y-1/4'
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 1 15605.49 15962.03 991.57 o
0 2 2 1833.44 1211.37 159.82 o
2 2 2 836091.56 895924.31 39328.10 o
1 1 3 4345.74 5423.01 134.89 o
1 3 3 1100.04 1373.27 120.54 o
3 3 3 61567.54 61932.26 2478.36 o
0 0 4 432428.84 418353.69 15324.34 o
2 2 4 7354.05 6832.34 222.80 o
0 4 4 569199.19 569262.63 18288.39 o
2 4 4 1293.61 1074.05 124.55 o
4 4 4 285742.09 280747.00 12185.67 o
1 1 5 0.75 68.72 37.27 o
1 3 5 5560.61 5339.54 118.20 o
3 3 5 10232.74 10589.42 318.66 o
1 5 5 35003.79 33532.83 935.30 o
3 5 5 2915.56 2949.81 125.06 o
5 5 5 3411.44 3682.08 193.68 o
0 2 6 8120.35 8239.54 192.38 o
2 2 6 331750.28 339357.44 13319.26 o
2 4 6 297.18 324.78 32.91 o
4 4 6 901.54 833.22 59.38 o
0 6 6 2218.19 2114.45 212.78 o
2 6 6 157922.80 154659.98 4214.50 o
4 6 6 9449.14 9772.78 288.47 o
6 6 6 91954.89 95872.79 3376.32 o
1 1 7 6668.96 6789.93 198.92 o
1 3 7 17148.87 16545.30 290.38 o
3 3 7 2437.82 2665.86 168.61 o
1 5 7 2116.03 2143.97 77.45 o
3 5 7 3819.75 4084.10 107.93 o
5 5 7 10359.53 9754.19 279.91 o
1 7 7 7990.41 7344.33 420.86 o
3 7 7 28632.54 28392.25 794.37 o
5 7 7 6538.45 6125.76 249.70 o
7 7 7 12194.83 12398.67 927.73 o
0 0 8 251928.84 243433.09 15765.19 o
2 2 8 10378.09 9683.68 337.64 o
0 4 8 142439.59 139107.56 2935.20 o
2 4 8 1634.70 1593.90 87.15 o
4 4 8 91814.12 89027.63 2173.47 o
2 6 8 216.70 265.03 52.66 o
4 6 8 967.90 1155.53 70.91 o
6 6 8 534.90 574.51 71.42 o
0 8 8 51881.51 51586.98 2958.19 o
2 8 8 2678.06 2691.66 277.47 o
4 8 8 72569.47 76748.10 2235.49 o
6 8 8 1585.14 1473.32 136.36 o
8 8 8 12133.61 11335.05 935.61 o
1 1 9 12189.48 12944.16 590.88 o
1 3 9 10885.26 10642.66 246.21 o
3 3 9 657.14 550.16 91.07 o
1 5 9 9382.46 8941.74 251.03 o
3 5 9 6559.84 6476.30 193.82 o
5 5 9 24551.61 25679.83 741.86 o
1 7 9 4332.37 4631.06 206.06 o
3 7 9 9770.29 9677.58 266.04 o
5 7 9 4623.93 4912.13 165.84 o
7 7 9 1971.96 2028.48 165.32 o
1 9 9 9799.53 10612.80 564.52 o
3 9 9 11605.98 11041.16 480.92 o
5 9 9 10996.63 10507.39 532.81 o
7 9 9 2105.43 1813.66 205.64 o
9 9 9 8212.06 7663.48 1270.92 o
0 2 10 222.49 88.00 77.29 o
2 2 10 85013.68 81861.74 2451.44 o
2 4 10 481.00 513.78 69.40 o
4 4 10 162.81 225.11 95.01 o
0 6 10 11207.44 10546.46 816.00 o
2 6 10 53230.39 55712.25 1262.65 o
4 6 10 28.68 117.57 90.03 o
6 6 10 33458.38 34246.30 1188.57 o
2 8 10 1057.77 1051.53 108.75 o
4 8 10 673.69 865.92 108.51 o
6 8 10 1600.21 1632.50 132.76 o
8 8 10 829.51 888.31 186.43 o
0 10 10 60.99 195.94 187.99 o
2 10 10 22150.02 22985.93 1217.22 o
4 10 10 4138.69 3834.75 295.66 o
6 10 10 16426.91 16512.10 1062.33 o
8 10 10 545.66 659.93 262.97 o
10 10 10 9755.43 9269.13 1286.21 o
1 1 11 3205.28 3115.94 186.98 o
1 3 11 9933.99 10211.81 290.16 o
3 3 11 16651.62 16618.55 548.65 o
1 5 11 12369.00 12817.44 394.34 o
3 5 11 3905.63 4119.78 150.12 o
5 5 11 833.90 1084.85 201.72 o
1 7 11 6871.76 7029.41 289.69 o
3 7 11 9719.01 9789.68 340.20 o
5 7 11 7403.63 7793.12 289.58 o
7 7 11 9617.81 10677.78 1061.64 o
1 9 11 2428.81 2454.35 200.29 o
3 9 11 3301.85 3386.01 212.66 o
5 9 11 5272.13 4971.88 256.05 o
7 9 11 2662.30 2925.12 253.77 o
9 9 11 2058.52 2061.93 526.28 o
1 11 11 8275.77 8275.04 722.97 o
3 11 11 5400.53 5705.58 529.26 o
5 11 11 694.49 416.13 216.73 o
7 11 11 8527.35 8709.30 678.02 o
9 11 11 2499.07 3107.62 521.65 o
0 0 12 28612.22 30682.34 2147.76 o
2 2 12 912.10 1045.11 170.21 o
0 4 12 46397.73 46721.27 2354.95 o
2 4 12 710.85 791.35 91.22 o
4 4 12 30778.72 32438.32 1021.72 o
2 6 12 127.11 192.53 102.52 o
4 6 12 519.02 582.21 105.71 o
6 6 12 1782.27 1910.30 413.60 o
0 8 12 21216.54 22454.55 1043.88 o
2 8 12 992.49 1102.61 153.75 o
4 8 12 13690.47 13881.02 646.72 o
6 8 12 1125.69 1199.33 617.53 o
8 8 12 18440.81 19822.46 1092.32 o
2 10 12 64.24 81.95 162.51 o
4 10 12 205.43 235.51 201.25 o
6 10 12 11.41 -92.61 161.75 o
8 10 12 614.47 599.46 264.60 o
10 10 12 1589.72 1604.41 515.78 o
0 12 12 11372.56 11678.70 2071.99 o
2 12 12 778.93 983.31 422.32 o
4 12 12 8456.32 7966.79 694.73 o
6 12 12 323.59 455.13 440.86 o
8 12 12 3689.17 2893.83 442.31 o
1 1 13 8951.43 8736.88 525.23 o
1 3 13 3388.85 3360.60 197.58 o
3 3 13 12203.51 11765.38 915.63 o
1 5 13 8665.30 9084.58 392.26 o
3 5 13 7831.84 8043.93 352.30 o
5 5 13 6411.20 6229.21 494.43 o
1 7 13 5507.02 5475.07 285.76 o
3 7 13 1153.65 1135.75 155.26 o
5 7 13 2871.14 2927.93 228.33 o
7 7 13 5334.40 6037.91 572.18 o
1 9 13 7347.46 7928.77 527.72 o
3 9 13 1326.18 1658.05 255.99 o
5 9 13 5685.79 4797.73 373.03 o
7 9 13 3521.15 3921.38 294.73 o
9 9 13 5781.28 5116.63 647.94 o
1 11 13 2993.60 2509.08 387.93 o
3 11 13 3166.71 2883.98 475.71 o
5 11 13 1303.65 1352.58 280.77 o
7 11 13 973.81 1074.30 579.67 o
1 13 13 1185.83 1193.59 367.74 o
3 13 13 3864.05 3178.47 885.60 o
0 2 14 25.82 -180.74 206.43 o
2 2 14 20332.35 20197.23 1039.73 o
2 4 14 932.99 809.12 137.26 o
4 4 14 152.27 60.90 352.90 o
0 6 14 26.22 125.89 201.94 o
2 6 14 14027.98 13687.36 678.95 o
4 6 14 573.29 502.32 154.94 o
6 6 14 11489.00 11475.45 928.66 o
2 8 14 612.70 644.48 197.79 o
4 8 14 75.25 -74.58 234.29 o
6 8 14 959.52 712.72 199.67 o
8 8 14 383.97 472.57 265.27 o
0 10 14 1389.77 889.03 465.52 o
2 10 14 8301.88 7829.61 520.35 o
4 10 14 336.88 97.29 268.81 o
6 10 14 6281.90 5821.88 657.99 o
2 12 14 496.20 460.88 277.25 o
1 1 15 7556.77 8648.10 577.38 o
1 3 15 5561.20 5404.12 290.91 o
3 3 15 3665.50 3632.73 1125.46 o
1 5 15 1816.67 1687.46 185.05 o
3 5 15 4508.43 4488.65 306.16 o
5 5 15 5921.96 6896.77 554.82 o
1 7 15 4145.44 4304.05 318.14 o
3 7 15 5797.07 5576.14 443.92 o
5 7 15 1696.21 1426.28 242.84 o
7 7 15 3600.55 3597.84 706.74 o
1 9 15 3100.52 2698.09 314.79 o
3 9 15 2681.94 2242.80 346.19 o
5 9 15 1287.73 733.91 303.92 o
1 11 15 1023.76 1539.35 339.71 o
0 0 16 20662.33 20846.21 3152.03 o
2 2 16 65.41 418.00 205.85 o
0 4 16 4311.00 4211.67 352.79 o
2 4 16 110.05 496.10 181.62 o
4 4 16 10504.87 11681.01 1033.53 o
2 6 16 232.73 113.80 180.29 o
4 6 16 89.39 930.59 2800.27 o
6 6 16 330.30 580.65 394.28 o
0 8 16 8143.35 7293.63 543.64 o
2 8 16 268.29 -107.75 294.46 o
4 8 16 5487.12 5018.67 497.71 o
1 1 17 4853.01 4592.02 460.89 o
1 3 17 3591.90 3550.61 298.19 o
3 3 17 1681.08 1603.69 372.02 o
1 5 17 1906.91 1786.47 313.56 o
3 5 17 2710.45 2427.84 355.16 o
5 5 17 4725.99 5559.46 795.41 o
1 7 17 2530.39 2577.73 273.40 o
3 7 17 2911.13 2442.92 362.23 o
0 2 18 75.62 118.49 788.74 o
2 2 18 4135.98 3950.93 509.12 o
2 4 18 166.54 393.16 202.77 o