#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/92/2229262.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_2229262_Fobs
loop_
_publ_author_name
'Koscielski, Lukasz A.'
'Ibers, James A.'
_publ_section_title
;
 Tetrayttrium(III) trisulfide disilicate
;
_journal_coeditor_code           WM2440
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i16
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.6706
_cell_length_b                   11.6706
_cell_length_c                   13.5873
_exptl_crystal_F_000             2304.00
_reflns_d_resolution_high        0.7282
_[local]_cod_data_source_file    wm2440Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Y4S3Si2O7 (side product) in I4(1)/amd'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            789.32
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+1/4, x+3/4, z+1/4'
'y+1/4, -x+1/4, z+3/4'
'-x+1/2, y, -z+1/2'
'x, -y, -z'
'y+1/4, x+3/4, -z+1/4'
'-y+1/4, -x+1/4, -z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+3/4, x+5/4, z+3/4'
'y+3/4, -x+3/4, z+5/4'
'-x+1, y+1/2, -z+1'
'x+1/2, -y+1/2, -z+1/2'
'y+3/4, x+5/4, -z+3/4'
'-y+3/4, -x+3/4, -z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-1/4, -x-3/4, -z-1/4'
'-y-1/4, x-1/4, -z-3/4'
'x-1/2, -y, z-1/2'
'-x, y, z'
'-y-1/4, -x-3/4, z-1/4'
'y-1/4, x-1/4, z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y+1/4, -x-1/4, -z+1/4'
'-y+1/4, x+1/4, -z-1/4'
'x, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'
'-y+1/4, -x-1/4, z+1/4'
'y+1/4, x+1/4, z-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
0 2 0 36659.34 39231.33 498.06 o
2 2 0 46798.24 42634.38 554.62 o
0 4 0 120663.46 117789.91 1198.68 o
2 4 0 38137.55 40363.02 831.73 o
4 4 0 230767.58 238398.80 2315.96 o
0 6 0 379911.31 387230.81 3628.23 o
2 6 0 307819.09 307083.44 2080.57 o
4 6 0 324.38 506.50 123.88 o
6 6 0 226.82 253.70 182.96 o
0 8 0 215981.31 217226.77 2251.85 o
2 8 0 36633.35 37256.41 444.12 o
4 8 0 130207.63 130828.25 1222.97 o
6 8 0 6757.18 6931.40 1050.54 o
8 8 0 382431.88 387985.25 5699.05 o
0 10 0 1506.13 1742.05 254.06 o
2 10 0 10255.93 10227.39 308.49 o
4 10 0 9339.04 9557.35 380.17 o
6 10 0 20043.85 19800.01 622.69 o
8 10 0 2330.63 3054.36 356.49 o
10 10 0 506.81 1255.36 484.63 o
0 12 0 223537.72 222127.58 3507.38 o
2 12 0 36011.96 36215.73 751.22 o
4 12 0 7004.03 7422.66 424.33 o
6 12 0 27163.90 27947.26 795.23 o
8 12 0 1143.38 1125.09 355.34 o
0 14 0 714.73 1456.49 573.25 o
2 14 0 43.05 382.38 368.88 o
4 14 0 40212.35 37155.57 2789.98 o
6 14 0 89987.69 93674.18 3359.60 o
0 1 1 4263.11 5366.16 183.82 o
1 2 1 21.38 2.53 26.05 o
0 3 1 51832.56 52138.98 425.92 o
2 3 1 96449.41 94400.47 525.84 o
1 4 1 135256.41 135445.61 689.74 o
3 4 1 21931.73 23094.26 187.52 o
0 5 1 2654.63 3052.90 113.22 o
2 5 1 8250.97 8850.96 187.41 o
4 5 1 44146.68 42390.91 303.21 o
1 6 1 49684.58 49289.88 335.70 o
3 6 1 37629.27 37734.49 376.32 o
5 6 1 20576.01 20529.68 245.23 o
0 7 1 3925.37 4239.99 176.80 o
2 7 1 35086.70 33768.58 279.82 o
4 7 1 21345.50 21297.67 302.61 o
6 7 1 59676.08 58826.24 640.61 o
1 8 1 22515.44 22443.29 236.03 o
3 8 1 75616.26 74946.40 521.77 o
5 8 1 31461.15 31731.59 390.12 o
7 8 1 344.26 603.61 253.50 o
0 9 1 92638.01 91963.91 871.97 o
2 9 1 575.58 740.56 95.25 o
4 9 1 28778.02 28935.53 379.58 o
6 9 1 58691.67 57073.48 1188.31 o
8 9 1 2784.44 2594.72 229.80 o
1 10 1 62.78 138.29 102.75 o
3 10 1 8126.90 8456.69 233.39 o
5 10 1 88.15 295.08 145.10 o
7 10 1 10937.86 11384.42 368.45 o
9 10 1 5896.30 5358.45 316.35 o
0 11 1 84808.08 88029.09 1035.42 o
2 11 1 2972.60 3165.92 182.07 o
4 11 1 560.72 641.08 159.77 o
6 11 1 63120.98 63400.50 804.30 o
8 11 1 643.62 875.70 223.69 o
10 11 1 9297.14 9211.07 412.10 o
1 12 1 2251.03 2492.29 204.19 o
3 12 1 15354.59 15756.34 383.94 o
5 12 1 263.75 489.61 199.47 o
7 12 1 278.04 392.49 217.37 o
9 12 1 55138.52 54695.41 868.20 o
0 13 1 29945.66 29261.44 767.81 o
2 13 1 372.72 269.29 216.68 o
4 13 1 28089.22 30058.94 887.63 o
6 13 1 268.40 648.40 245.98 o
8 13 1 11673.90 11451.40 741.25 o
1 14 1 1258.95 1472.72 300.42 o
3 14 1 21492.72 20691.20 624.78 o
5 14 1 14265.77 14356.88 522.35 o
7 14 1 5010.53 5862.09 1117.25 o
0 15 1 3688.27 3322.33 998.90 o
2 15 1 34467.96 33149.64 1091.53 o
4 15 1 711.51 1174.94 518.22 o
1 1 2 820.78 1120.12 65.80 o
0 2 2 19826.96 18680.24 458.98 o
1 3 2 21721.64 20429.58 189.25 o
3 3 2 202060.16 204152.42 1497.47 o
0 4 2 15735.61 16374.73 200.12 o
2 4 2 132111.70 132749.31 698.62 o
1 5 2 79161.56 75987.64 440.49 o
3 5 2 19689.26 20898.18 192.45 o
5 5 2 154289.05 153922.64 1263.87 o
0 6 2 5795.63 6219.01 165.70 o
2 6 2 3265.81 3430.00 99.70 o
4 6 2 24854.09 23580.49 243.30 o
1 7 2 10733.72 11047.25 159.00 o
3 7 2 13004.66 13487.29 189.31 o
5 7 2 7457.74 7867.82 337.44 o
7 7 2 26897.73 26149.55 557.34 o
0 8 2 1452.05 1706.49 132.33 o
2 8 2 9439.31 9418.02 173.95 o
4 8 2 70.84 272.73 258.63 o
6 8 2 2640.19 2613.37 367.13 o
1 9 2 6832.63 7142.46 172.50 o
3 9 2 141483.84 143672.27 965.26 o
5 9 2 155.18 371.63 197.98 o
7 9 2 6049.82 6641.70 571.60 o
9 9 2 96111.63 95908.84 1597.54 o
0 10 2 4369.14 4677.10 246.63 o
2 10 2 4804.05 5365.22 194.58 o
4 10 2 55930.38 55804.97 681.54 o
6 10 2 9232.25 9582.22 316.00 o
8 10 2 3338.77 3199.68 260.50 o
1 11 2 6840.73 7091.64 233.40 o
3 11 2 61153.12 60901.29 627.10 o
5 11 2 34561.84 35469.17 537.30 o
7 11 2 1487.74 1772.72 231.76 o
9 11 2 18032.23 17486.01 491.83 o
0 12 2 3349.14 3239.37 305.89 o
2 12 2 12451.97 12984.11 368.46 o
4 12 2 562.14 733.04 202.70 o
6 12 2 1423.45 1606.37 244.10 o
8 12 2 82.79 296.42 227.50 o
1 13 2 14521.20 14522.41 430.91 o
3 13 2 19307.88 18859.91 590.04 o
5 13 2 31207.30 32140.90 763.94 o
7 13 2 4471.79 4657.65 361.26 o
0 14 2 117.07 250.05 403.87 o
2 14 2 158.40 595.32 305.56 o
4 14 2 1195.68 1234.68 287.77 o
6 14 2 203.49 49.47 351.82 o
1 15 2 26170.63 26037.76 1387.28 o
3 15 2 11151.76 11736.94 701.44 o
5 15 2 9980.90 5941.54 1542.63 o
0 1 3 10076.31 8676.27 351.75 o
1 2 3 270.66 371.22 43.69 o
0 3 3 157331.83 149657.42 1071.65 o
2 3 3 253095.66 252588.36 1306.41 o
1 4 3 19391.94 15789.09 285.70 o
3 4 3 24753.79 23524.26 206.87 o
0 5 3 22451.17 24967.22 292.18 o
2 5 3 9432.29 8578.07 229.13 o
4 5 3 48216.75 46051.91 366.20 o
1 6 3 25194.05 24318.01 217.81 o
3 6 3 318.38 222.12 114.55 o
5 6 3 109924.81 111314.86 790.37 o
0 7 3 9254.29 9097.35 217.71 o
2 7 3 976.52 935.41 82.30 o
4 7 3 4866.18 5249.90 310.09 o
6 7 3 5163.16 5600.25 189.20 o
1 8 3 42739.18 42570.44 368.10 o
3 8 3 16677.52 16720.78 267.98 o
5 8 3 18314.66 19089.73 332.16 o
7 8 3 11338.88 11692.55 303.29 o
0 9 3 166387.09 166560.28 1490.91 o
2 9 3 49112.51 49169.03 446.26 o
4 9 3 9735.56 10415.17 250.84 o
6 9 3 10956.70 10936.04 402.54 o
8 9 3 92.08 38.79 345.03 o
1 10 3 452.20 150.68 120.21 o
3 10 3 26898.03 27589.26 396.22 o
5 10 3 6890.63 6887.30 259.65 o
7 10 3 172.32 83.11 274.71 o
9 10 3 4959.95 5407.02 319.10 o
0 11 3 11384.32 11999.63 453.42 o
2 11 3 9759.41 9757.90 279.41 o
4 11 3 31622.65 32389.24 494.55 o
6 11 3 90613.44 90450.58 970.41 o
8 11 3 16054.06 16214.34 463.81 o
10 11 3 9500.03 9670.22 452.83 o
1 12 3 1104.69 772.29 184.70 o
3 12 3 49162.83 49083.02 658.50 o
5 12 3 2943.72 2807.94 250.00 o
7 12 3 677.36 587.78 226.74 o
9 12 3 36607.15 33079.08 962.45 o
0 13 3 1004.01 1155.22 346.49 o
2 13 3 5899.31 6175.70 367.75 o
4 13 3 2126.97 2616.31 275.90 o
6 13 3 3729.69 3549.70 330.28 o
8 13 3 382.81 603.40 769.35 o
1 14 3 7187.36 7481.68 495.11 o
3 14 3 51032.31 49936.39 1154.48 o
5 14 3 863.17 455.68 315.00 o
0 15 3 39309.96 42726.77 1609.09 o
2 15 3 14077.20 13909.55 786.31 o
4 15 3 380.03 425.81 535.02 o
0 0 4 623032.88 679120.56 8535.75 o
0 2 4 4816.00 5737.47 210.87 o
2 2 4 7215.51 6227.72 139.65 o
1 3 4 17645.48 17131.04 149.58 o
0 4 4 109043.49 110525.98 834.68 o
2 4 4 6072.10 6421.58 102.13 o
4 4 4 124047.25 120286.94 1061.35 o
1 5 4 173.71 204.31 103.18 o
3 5 4 2943.13 2640.48 88.56 o
0 6 4 273110.69 275946.41 1907.70 o
2 6 4 95001.06 93043.84 935.13 o
4 6 4 22114.88 22170.40 274.97 o
6 6 4 75226.58 77730.15 905.89 o
1 7 4 3223.87 3094.84 108.64 o
3 7 4 374.63 498.67 108.16 o
5 7 4 4166.71 4536.11 173.61 o
0 8 4 521.14 528.61 125.05 o
2 8 4 78524.67 78500.20 598.89 o
4 8 4 140582.70 139313.22 1119.47 o
6 8 4 18565.45 19100.82 587.52 o
8 8 4 113961.62 107964.77 1383.03 o
1 9 4 1341.13 1397.83 129.31 o
3 9 4 26752.34 26840.95 355.20 o
5 9 4 6277.70 6638.97 227.82 o
7 9 4 6189.35 6568.31 324.13 o
0 10 4 53268.52 52482.46 827.70 o
2 10 4 16833.18 17695.44 328.79 o
4 10 4 5122.00 5284.83 214.63 o
6 10 4 9951.64 10751.89 499.91 o
8 10 4 29907.99 30746.78 808.48 o
10 10 4 7498.90 7934.55 608.46 o
1 11 4 15311.46 16020.44 378.01 o
3 11 4 1981.99 2239.90 192.96 o
5 11 4 6854.35 7461.96 338.90 o
7 11 4 2615.48 2427.93 232.17 o
9 11 4 21677.64 21413.32 543.92 o
0 12 4 130131.14 131039.97 1724.19 o
2 12 4 15752.42 16145.16 434.05 o
4 12 4 1432.91 1509.38 222.08 o
6 12 4 26374.62 25533.53 742.11 o
8 12 4 334.35 739.02 257.40 o
1 13 4 1294.80 1121.65 241.53 o
3 13 4 3212.21 3646.63 323.97 o
5 13 4 331.48 649.89 246.33 o
7 13 4 5604.62 6086.47 469.35 o
0 14 4 7013.92 7672.02 700.03 o
2 14 4 10383.54 11091.60 497.05 o
4 14 4 4917.19 4809.90 419.15 o
6 14 4 18912.40 19026.28 1235.78 o
1 15 4 3262.55 5030.67 547.37 o
3 15 4 187.01 -4.81 481.17 o
0 1 5 101041.64 100377.39 767.22 o
1 2 5 39873.19 38171.89 266.14 o
0 3 5 77195.02 78986.61 863.72 o
2 3 5 54963.03 54379.71 371.97 o
1 4 5 8634.44 9486.07 124.19 o
3 4 5 5874.91 5867.14 112.10 o
0 5 5 26164.11 26474.48 319.69 o
2 5 5 59860.20 57697.89 446.92 o
4 5 5 35838.33 35634.11 369.10 o
1 6 5 159.37 167.61 63.57 o
3 6 5 26363.73 26442.05 453.59 o
5 6 5 1982.52 2233.61 135.48 o
0 7 5 117153.97 117409.66 1046.92 o
2 7 5 312.69 270.01 289.37 o
4 7 5 5857.16 6379.79 217.17 o
6 7 5 2104.25 2224.95 150.67 o
1 8 5 1606.91 1672.94 124.52 o
3 8 5 35594.81 36198.46 558.92 o
5 8 5 14511.47 14857.23 290.95 o
7 8 5 36342.00 35329.80 471.62 o
0 9 5 67350.74 65466.49 868.72 o
2 9 5 80.21 -42.37 114.09 o
4 9 5 6129.15 6554.54 476.56 o
6 9 5 71384.22 71904.88 708.93 o
8 9 5 4231.07 4400.92 494.50 o
1 10 5 3257.52 3566.80 209.64 o
3 10 5 3735.20 3984.61 204.78 o
5 10 5 8730.13 8887.31 285.87 o
7 10 5 375.25 317.37 368.22 o
9 10 5 3155.15 3888.82 575.81 o
0 11 5 67239.01 69027.86 1467.76 o
2 11 5 429.43 468.84 165.58 o
4 11 5 359.02 298.35 168.07 o
6 11 5 55026.15 53759.76 717.34 o
8 11 5 233.11 -62.12 232.55 o
10 11 5 5791.52 5068.68 824.72 o
1 12 5 1273.50 1355.18 219.64 o
3 12 5 25365.42 25324.81 646.91 o
5 12 5 207.26 66.84 194.56 o
7 12 5 6331.13 6905.18 366.37 o
9 12 5 44077.63 48779.98 3194.83 o
0 13 5 183.98 339.29 326.37 o
2 13 5 26095.43 27281.03 576.05 o
4 13 5 10574.62 11247.00 549.18 o
6 13 5 21286.62 21088.00 592.15 o
8 13 5 170.92 397.19 1100.71 o
1 14 5 10144.70 10119.95 520.90 o
3 14 5 32405.75 30454.49 1079.37 o
5 14 5 16303.20 14932.46 982.74 o
0 15 5 2859.40 2622.48 1416.73 o
2 15 5 14563.98 18944.72 2055.02 o
1 1 6 33456.95 34247.96 873.13 o
0 2 6 215579.77 211352.48 1486.17 o
1 3 6 46080.20 47069.19 324.15 o
3 3 6 258922.00 264284.25 1897.09 o
0 4 6 56882.36 54884.42 691.96 o
2 4 6 143793.19 142601.91 814.81 o
1 5 6 21137.14 20752.40 210.18 o
3 5 6 8743.33 9492.23 201.71 o
5 5 6 84188.27 85309.91 956.41 o
0 6 6 159968.39 156960.09 1250.82 o
2 6 6 8075.18 8134.63 185.68 o
4 6 6 125693.92 123471.43 864.72 o
1 7 6 5635.54 6055.45 170.32 o
3 7 6 12922.75 13284.59 399.77 o
5 7 6 1490.47 1496.07 136.09 o
7 7 6 1222.96 1554.38 223.08 o
0 8 6 424.39 435.95 164.02 o
2 8 6 57851.66 56013.73 558.25 o
4 8 6 35884.41 35512.41 531.19 o
6 8 6 54435.49 54509.34 566.83 o
1 9 6 4115.53 4340.18 216.91 o
3 9 6 83344.89 83019.79 750.78 o
5 9 6 7813.74 8151.21 300.99 o
7 9 6 340.80 592.79 362.65 o
9 9 6 58546.79 58316.84 1034.37 o
0 10 6 31622.88 32247.49 715.12 o
2 10 6 387.63 448.79 158.59 o
4 10 6 23563.39 23043.40 428.82 o
6 10 6 1737.77 1884.91 585.10 o
8 10 6 9251.53 9579.00 350.27 o
1 11 6 6631.62 6803.88 293.62 o
3 11 6 21580.88 21700.82 444.06 o
5 11 6 42959.34 42181.38 610.45 o
7 11 6 6.84 -0.91 397.59 o
9 11 6 19860.05 18781.07 1208.24 o
0 12 6 1899.97 1729.20 317.19 o
2 12 6 39175.12 38121.86 620.09 o
4 12 6 8368.44 8445.30 374.09 o
6 12 6 39397.50 40402.78 736.03 o
8 12 6 1981.10 1741.53 445.69 o
1 13 6 2569.51 2429.11 286.64 o
3 13 6 9579.27 10517.21 431.80 o
5 13 6 5993.11 5628.66 365.49 o
7 13 6 915.43 1480.69 614.71 o
0 14 6 26343.90 25534.30 912.23 o
2 14 6 14779.87 14508.29 581.61 o
4 14 6 24079.03 21984.46 1000.27 o
1 15 6 3736.14 5064.76 1615.19 o
0 1 7 2906.96 2792.02 233.69 o
1 2 7 9694.46 9342.12 216.84 o
0 3 7 155298.42 155586.06 1963.41 o
2 3 7 48198.93 47280.44 351.90 o
1 4 7 39976.92 38276.77 360.12 o
3 4 7 14116.39 14761.71 245.90 o
0 5 7 19043.03 19839.31 315.73 o
2 5 7 16081.17 15427.76 287.70 o
4 5 7 318.13 350.20 99.14 o
1 6 7 48602.28 47370.03 413.80 o
3 6 7 24976.92 25387.40 372.76 o
5 6 7 102238.13 100361.45 790.14 o
0 7 7 42610.71 41984.62 640.09 o
2 7 7 1579.45 1352.94 167.09 o
4 7 7 66676.07 65807.97 713.45 o
6 7 7 5917.28 6296.68 226.86 o
1 8 7 36075.32 37280.52 496.43 o
3 8 7 7049.96 7810.91 585.39 o
5 8 7 10709.97 10946.81 518.50 o
7 8 7 42014.21 42537.58 518.58 o
0 9 7 47476.82 49254.97 930.31 o
2 9 7 52596.66 52096.37 624.60 o
4 9 7 7020.07 6962.12 255.21 o
6 9 7 2728.08 2559.44 479.10 o
8 9 7 9965.33 10414.73 644.98 o
1 10 7 4991.16 4876.71 257.34 o
3 10 7 960.93 965.99 176.97 o
5 10 7 11973.62 11924.58 372.81 o
7 10 7 314.55 97.50 281.72 o
9 10 7 7207.83 7386.84 1408.59 o
0 11 7 101.28 273.56 276.87 o
2 11 7 7154.47 7388.20 315.59 o
4 11 7 7643.13 7986.88 333.66 o
6 11 7 14007.13 14601.04 476.68 o
8 11 7 36158.34 36668.73 864.52 o
1 12 7 77.61 252.76 211.36 o
3 12 7 8293.94 7759.35 410.26 o
5 12 7 21986.17 21312.45 541.28 o
7 12 7 8992.02 9327.38 423.07 o
0 13 7 49.70 141.37 325.09 o
2 13 7 43270.46 43529.23 780.70 o
4 13 7 46.88 -240.75 240.75 o
6 13 7 30918.69 28292.99 1313.55 o
1 14 7 989.02 651.62 362.30 o
3 14 7 16401.14 13794.50 1167.96 o
0 0 8 195493.42 194863.61 2876.51 o
0 2 8 42793.50 42022.99 468.05 o
2 2 8 113708.02 112197.84 1755.11 o
1 3 8 17134.31 17455.41 209.93 o
0 4 8 7496.07 7390.79 221.59 o
2 4 8 29395.57 29702.49 313.73 o
4 4 8 14537.12 14987.01 381.43 o
1 5 8 2128.76 2511.71 303.15 o
3 5 8 12507.34 12803.18 252.23 o
0 6 8 119317.20 121529.84 1215.89 o
2 6 8 3111.41 4015.67 586.56 o
4 6 8 3065.64 3090.22 165.55 o
6 6 8 91454.00 91064.44 1089.64 o
1 7 8 10020.87 10344.97 283.32 o
3 7 8 1700.85 1653.88 167.74 o
5 7 8 1678.93 1632.65 163.01 o
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2 8 8 26743.92 26690.22 434.41 o
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