#------------------------------------------------------------------------------
#$Date: 2010-04-11 15:29:29 +0300 (Sun, 11 Apr 2010) $
#$Revision: 1088 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2017571.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_2017571_Fobs
loop_
_publ_author_name
'Wierzbicka-Wieczorek, Maria'
'Kolitsch, Uwe'
'Tillmanns, Ekkehart'
_publ_section_title
;
 Ba~2~Gd~2~(Si~4~O~13~): a silicate with finite Si~4~O~13~ chains
;
_journal_coeditor_code           LG3027
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i29
_journal_page_last               i32
_journal_volume                  66
_journal_year                    2010
_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                 104.080
_cell_angle_gamma                90.000
_cell_length_a                   12.8960
_cell_length_b                   5.2120
_cell_length_c                   17.5490
_exptl_crystal_F_000             1600.00
_reflns_d_resolution_high        0.6101
_[local]_cod_data_source_file    lg3027Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' barbgd in C2/c = Ba2Gd2Si4O13 = BaGdSi2O7.5'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            863.35
_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
2 0 0 164.17 -138.61 138.61 o
4 0 0 525654.31 527179.69 4622.58 o
6 0 0 23442.91 24110.13 437.31 o
8 0 0 28129.25 28703.37 667.94 o
10 0 0 71.76 -99.26 318.90 o
12 0 0 442.39 608.89 394.71 o
14 0 0 28785.61 29378.65 1233.51 o
16 0 0 269.83 681.45 869.55 o
18 0 0 104454.56 109629.46 2877.30 o
20 0 0 2808.41 2780.64 1366.29 o
1 1 0 113382.99 116240.21 653.43 o
3 1 0 301431.06 307826.88 1659.04 o
5 1 0 59915.34 62766.89 494.19 o
7 1 0 86436.38 85774.55 664.24 o
9 1 0 2355.10 2575.52 155.65 o
11 1 0 4220.29 4503.50 214.16 o
13 1 0 5769.07 5550.43 338.91 o
15 1 0 54719.69 56375.30 857.93 o
17 1 0 20322.03 22131.25 983.98 o
19 1 0 24224.86 25859.86 1479.42 o
0 2 0 681374.94 686067.06 5615.09 o
2 2 0 14025.14 15207.77 258.39 o
4 2 0 341129.34 343057.06 1804.77 o
6 2 0 12518.99 12383.52 204.38 o
8 2 0 45413.15 44367.45 414.66 o
10 2 0 248.03 199.31 136.11 o
12 2 0 4851.83 5383.03 391.04 o
14 2 0 38814.47 39500.16 753.20 o
16 2 0 422.02 168.94 431.45 o
18 2 0 87257.88 82758.00 3452.27 o
1 3 0 126956.77 127994.06 896.55 o
3 3 0 182321.88 181297.52 1189.01 o
5 3 0 9452.59 9916.91 215.90 o
7 3 0 111728.77 108671.22 749.85 o
9 3 0 3428.01 3731.29 209.18 o
11 3 0 3913.04 3660.18 237.83 o
13 3 0 3588.01 4108.45 378.74 o
15 3 0 49109.07 49747.04 1100.79 o
17 3 0 17201.38 17216.31 1300.22 o
19 3 0 26859.36 26968.31 1301.35 o
0 4 0 365759.34 361811.38 3313.32 o
2 4 0 7026.01 7242.94 254.57 o
4 4 0 224917.02 222015.66 1591.63 o
6 4 0 3200.36 3403.15 183.73 o
8 4 0 17230.60 16875.37 411.56 o
10 4 0 156.53 -54.74 334.45 o
12 4 0 221.39 502.37 407.84 o
14 4 0 29867.95 30543.69 929.23 o
16 4 0 6.79 -128.53 432.08 o
18 4 0 61000.93 62823.84 1946.91 o
1 5 0 86101.38 84561.05 1084.41 o
3 5 0 100366.02 99856.82 1100.82 o
5 5 0 16696.40 16210.44 473.15 o
7 5 0 33234.58 33754.39 821.93 o
9 5 0 636.75 505.01 406.60 o
11 5 0 907.30 1322.49 495.28 o
13 5 0 1462.89 1241.54 527.32 o
15 5 0 19863.36 20815.94 1134.58 o
0 6 0 146873.70 144378.80 2663.56 o
2 6 0 829.67 625.11 332.19 o
4 6 0 77544.45 77745.16 1309.11 o
6 6 0 5636.83 7310.35 614.57 o
8 6 0 18068.57 18760.97 871.36 o
10 6 0 598.55 1282.86 534.14 o
12 6 0 115.86 -372.45 518.12 o
14 6 0 16693.48 16026.74 1254.24 o
1 7 0 40701.86 40570.90 998.18 o
3 7 0 65813.72 62714.83 1998.64 o
5 7 0 11491.75 11916.97 781.71 o
7 7 0 13566.27 14645.00 1044.93 o
9 7 0 89.04 535.30 594.99 o
11 7 0 53.44 -671.25 671.25 o
0 8 0 61853.59 62715.62 1945.08 o
2 8 0 1232.78 1359.05 1089.39 o
4 8 0 38621.51 35815.67 1511.31 o
6 8 0 5868.09 5514.55 863.62 o
-19 1 1 114.61 1885.39 1196.21 o
-17 1 1 43.31 61.85 476.28 o
-15 1 1 5.21 794.81 464.87 o
-13 1 1 2055.80 1922.05 257.11 o
-11 1 1 855.84 497.74 175.80 o
-9 1 1 1.70 -63.90 135.49 o
-7 1 1 3708.33 4137.57 192.15 o
-5 1 1 3728.20 3999.62 137.58 o
-3 1 1 38.69 -69.04 69.04 o
-1 1 1 397.49 442.09 56.39 o
1 1 1 816.07 984.32 76.98 o
3 1 1 231.54 285.34 74.71 o
5 1 1 13548.80 14542.91 198.03 o
7 1 1 2374.59 2736.93 121.25 o
9 1 1 4147.24 4162.48 189.10 o
11 1 1 243.33 163.70 195.13 o
13 1 1 147.72 444.08 260.96 o
15 1 1 328.03 -49.04 589.32 o
17 1 1 500.02 1359.66 648.95 o
19 1 1 205.12 484.80 1151.75 o
-20 2 1 467.90 557.95 1254.31 o
-18 2 1 8.91 2298.83 2854.25 o
-16 2 1 4820.45 5158.66 621.65 o
-14 2 1 4351.36 4281.72 385.14 o
-12 2 1 570.44 385.30 249.47 o
-10 2 1 942.53 806.41 117.99 o
-8 2 1 3471.55 3537.23 156.25 o
-6 2 1 859.91 956.54 103.20 o
-4 2 1 1374.19 1913.40 97.13 o
-2 2 1 3974.20 4936.99 133.33 o
0 2 1 7223.50 8027.58 170.05 o
2 2 1 17917.59 17606.19 224.58 o
4 2 1 110.90 6.14 100.49 o
6 2 1 5303.56 5055.61 158.01 o
8 2 1 2012.07 2085.50 135.71 o
10 2 1 1484.89 1595.54 156.94 o
12 2 1 555.54 620.09 280.08 o
14 2 1 1259.93 1121.06 373.10 o
16 2 1 163.72 -426.75 426.75 o
18 2 1 365.37 0.00 803.22 o
-19 3 1 27.50 2180.14 1376.93 o
-17 3 1 531.59 276.11 815.41 o
-15 3 1 380.78 800.80 601.70 o
-13 3 1 8000.06 8089.45 484.05 o
-11 3 1 103.38 -12.27 180.52 o
-9 3 1 1163.57 1345.13 167.72 o
-7 3 1 2036.34 2139.33 142.13 o
-5 3 1 3832.01 3818.45 169.41 o
-3 3 1 7297.46 7638.57 198.89 o
-1 3 1 5016.86 5317.35 155.53 o
1 3 1 193.37 220.44 121.41 o
3 3 1 3589.40 3827.01 149.01 o
5 3 1 3626.95 3656.10 156.70 o
7 3 1 4196.40 4050.40 165.31 o
9 3 1 8103.52 7864.19 346.88 o
11 3 1 224.81 24.74 208.74 o
13 3 1 26.31 133.92 387.31 o
15 3 1 504.41 324.39 471.59 o
17 3 1 822.87 1075.47 765.25 o
19 3 1 726.51 2281.65 947.73 o
-18 4 1 1034.02 1599.17 961.37 o
-16 4 1 4871.37 3913.71 592.46 o
-14 4 1 3380.35 3001.04 544.37 o
-12 4 1 5201.47 5930.93 823.10 o
-10 4 1 2584.46 2785.08 302.39 o
-8 4 1 2359.59 2246.63 216.36 o
-6 4 1 1266.96 1401.28 167.02 o
-4 4 1 4052.87 4087.26 206.88 o
-2 4 1 7754.21 7756.50 238.21 o
0 4 1 10.21 11.08 127.65 o
2 4 1 35082.57 34839.08 468.49 o
4 4 1 1073.20 988.70 183.47 o
6 4 1 14603.38 14466.87 293.82 o
8 4 1 2196.74 2033.60 232.00 o
10 4 1 1611.67 1683.34 329.48 o
12 4 1 40.14 -372.39 451.37 o
14 4 1 2127.16 2670.06 852.31 o
16 4 1 39.22 1112.03 483.28 o
-15 5 1 962.98 1647.24 1512.87 o
-13 5 1 5326.35 6328.65 672.82 o
-11 5 1 79.31 -427.59 496.44 o
-9 5 1 16258.90 16530.88 729.09 o
-7 5 1 4390.99 4795.91 624.49 o
-5 5 1 0.93 -84.61 275.96 o
-3 5 1 481.50 465.14 245.96 o
-1 5 1 33.17 76.37 222.11 o
1 5 1 627.12 510.41 257.87 o
3 5 1 967.26 936.89 247.90 o
5 5 1 4029.50 4310.11 327.04 o
7 5 1 27.75 193.15 322.27 o
9 5 1 11252.16 11581.65 662.42 o
11 5 1 19.99 515.26 489.94 o
13 5 1 484.34 -567.26 567.26 o
15 5 1 228.66 1542.14 977.42 o
-14 6 1 1572.32 1626.38 625.16 o
-12 6 1 4992.91 5272.71 616.89 o
-10 6 1 4427.00 4878.55 812.85 o
-8 6 1 218.15 -323.11 449.40 o
-6 6 1 12.62 1365.32 681.00 o
-4 6 1 1802.38 1277.15 403.16 o
-2 6 1 10835.26 10094.27 566.37 o
0 6 1 1189.21 1331.91 375.81 o
2 6 1 31679.27 29551.82 738.32 o
4 6 1 733.11 1862.32 425.39 o
6 6 1 17140.70 17055.27 704.51 o
8 6 1 545.87 311.96 495.78 o
10 6 1 1974.70 2297.48 783.96 o
12 6 1 335.32 926.76 1012.91 o
14 6 1 1013.78 1371.20 1426.68 o
-11 7 1 2619.98 2765.58 1292.77 o
-9 7 1 4687.33 5082.50 1042.18 o
-7 7 1 3165.52 4634.53 2072.42 o
-5 7 1 93.21 272.74 870.07 o
-3 7 1 587.28 482.65 677.72 o
-1 7 1 358.82 364.08 465.17 o
1 7 1 83.38 -115.83 410.92 o
3 7 1 141.72 418.42 869.19 o
5 7 1 5143.14 6534.74 1285.72 o
7 7 1 29.61 70.16 994.33 o
9 7 1 9815.49 8898.57 926.80 o
11 7 1 606.35 679.13 581.22 o
-6 8 1 789.34 1170.40 926.22 o
-4 8 1 35.23 1643.65 1924.11 o
-2 8 1 3881.20 4213.89 793.60 o
0 8 1 416.60 721.85 566.00 o
2 8 1 22894.66 23090.13 1063.25 o
4 8 1 109.95 1195.22 786.09 o
6 8 1 14168.57 13763.29 2043.00 o
-20 0 2 72.79 681.90 915.80 o
-18 0 2 15900.27 17538.11 1723.53 o
-16 0 2 95.69 289.73 1085.05 o
-14 0 2 138871.19 136459.45 3801.10 o
-12 0 2 7460.87 7901.41 457.87 o
-10 0 2 213405.22 217239.48 2888.96 o
-8 0 2 8826.35 9217.58 241.24 o
-6 0 2 250355.77 254995.09 1976.35 o
-4 0 2 50529.02 48068.52 1298.19 o
-2 0 2 38916.64 40414.20 608.69 o
0 0 2 5157.88 5404.97 380.43 o
2 0 2 3833.89 4212.27 187.50 o
4 0 2 299550.47 297731.16 2817.70 o
6 0 2 1498.54 1819.70 149.06 o
8 0 2 351700.81 348760.09 2864.94 o
10 0 2 1957.25 2399.28 302.91 o
12 0 2 150267.39 151217.94 2040.01 o
14 0 2 22232.89 22110.92 939.21 o
16 0 2 41201.81 41880.61 1099.16 o
18 0 2 6736.13 8028.14 1405.21 o
20 0 2 4985.50 4365.97 1395.79 o
-19 1 2 3701.59 4208.86 1249.43 o
-17 1 2 24422.29 24409.05 1125.52 o
-15 1 2 28318.89 28706.44 679.52 o
-13 1 2 46636.67 46363.42 766.21 o
-11 1 2 265566.19 262307.69 2534.72 o
-9 1 2 48687.93 47589.23 530.75 o
-7 1 2 415424.06 420716.66 2996.63 o
-5 1 2 21632.78 21804.72 279.79 o
-3 1 2 181625.86 186039.09 1081.30 o
-1 1 2 5300.78 5116.81 105.66 o
1 1 2 3282.53 3501.19 160.55 o
3 1 2 3426.16 3270.78 115.36 o
5 1 2 86361.40 86559.66 542.99 o
7 1 2 148177.45 148609.11 1068.37 o
9 1 2 33014.81 32672.40 373.26 o
11 1 2 276476.16 273898.53 2118.96 o
13 1 2 6001.00 6668.59 387.00 o
15 1 2 94023.24 96093.69 1462.97 o
17 1 2 552.41 268.76 540.75 o
19 1 2 7084.43 9815.71 1576.65 o
-20 2 2 143.74 -739.38 1164.66 o
-18 2 2 22883.05 23678.32 2042.57 o
-16 2 2 441.38 370.91 570.92 o
-14 2 2 138171.75 141010.72 1779.35 o
-12 2 2 318.48 1002.91 264.07 o
-10 2 2 252410.44 251869.86 2012.77 o
-8 2 2 7659.31 7830.91 188.62 o
-6 2 2 137611.06 137055.66 810.90 o
-4 2 2 48561.38 48195.96 379.18 o
-2 2 2 8040.57 7782.69 155.68 o
0 2 2 11948.87 13458.31 242.85 o
2 2 2 211.71 43.70 112.13 o
4 2 2 274087.41 282203.09 1705.39 o
6 2 2 910.00 1163.94 120.15 o
8 2 2 290901.03 288722.13 1953.65 o
10 2 2 7684.42 7720.27 295.29 o
12 2 2 125040.16 125810.55 1429.33 o
14 2 2 21856.10 22420.90 1122.16 o
16 2 2 26907.63 26000.15 867.44 o
18 2 2 6509.22 6583.25 959.39 o
-19 3 2 2986.57 3342.23 1463.84 o
-17 3 2 11299.74 13011.88 1144.29 o
-15 3 2 35453.15 34214.43 829.36 o
-13 3 2 55101.45 55077.61 1290.42 o
-11 3 2 134326.86 134905.31 1427.37 o
-9 3 2 29678.81 29783.05 405.42 o
-7 3 2 246714.13 245400.09 1467.90 o
-5 3 2 17261.74 17118.81 267.24 o
-3 3 2 86932.53 88108.55 683.04 o
-1 3 2 1693.77 1592.08 126.38 o
1 3 2 145.21 289.15 113.11 o
3 3 2 14886.28 15060.53 301.68 o
5 3 2 39906.50 39265.48 445.25 o
7 3 2 131392.19 128605.03 975.42 o
9 3 2 38201.21 37585.60 542.98 o
11 3 2 171876.55 169359.70 2120.98 o
13 3 2 5111.24 5036.99 532.57 o
15 3 2 67427.55 68365.36 1375.64 o
17 3 2 297.40 -128.25 485.28 o
-18 4 2 17138.33 17681.66 1458.76 o
-16 4 2 2843.99 3227.48 967.53 o
-14 4 2 77776.85 79130.60 1740.61 o
-12 4 2 310.43 1347.36 428.66 o
-10 4 2 169299.36 165831.17 1679.56 o
-8 4 2 5313.45 6049.29 239.31 o
-6 4 2 93661.75 93363.70 911.26 o
-4 4 2 43526.50 42511.02 525.58 o
-2 4 2 20279.09 19461.08 371.13 o
0 4 2 116.46 65.70 140.65 o
2 4 2 132.99 127.10 157.86 o
4 4 2 108363.66 106684.91 888.76 o
6 4 2 173.11 61.52 154.84 o
8 4 2 193279.91 188872.86 1697.04 o
10 4 2 4111.73 4500.38 436.48 o
12 4 2 117996.04 115108.83 3329.21 o
14 4 2 12112.12 14473.79 806.31 o
16 4 2 26150.29 25661.15 961.79 o
-15 5 2 22805.47 21758.18 2184.99 o
-13 5 2 29466.39 28873.46 948.87 o
-11 5 2 86112.11 82967.97 1559.93 o
-9 5 2 19486.79 19011.29 761.46 o
-7 5 2 122209.78 121236.20 1617.26 o
-5 5 2 5679.09 5832.71 514.26 o
-3 5 2 37290.13 36984.79 637.82 o
-1 5 2 2060.80 2236.20 314.13 o
1 5 2 2128.97 1812.01 254.64 o
3 5 2 16325.71 15866.51 469.74 o
5 5 2 29315.13 28936.11 585.42 o
7 5 2 76064.74 74600.23 1297.15 o
9 5 2 18944.50 18896.07 810.37 o
11 5 2 98461.66 99230.39 1809.92 o
13 5 2 2088.66 2281.18 578.47 o
15 5 2 42148.06 43469.96 1236.11 o
-14 6 2 52425.89 49459.71 1497.99 o
-12 6 2 797.85 1287.27 1248.67 o
-10 6 2 96868.34 92601.43 1743.45 o
-8 6 2 15323.74 16487.70 853.10 o
-6 6 2 76347.12 74340.92 1330.72 o
-4 6 2 7851.40 8583.25 604.25 o
-2 6 2 6485.05 6608.45 625.47 o
0 6 2 1888.06 2798.57 370.39 o
2 6 2 2801.85 3617.92 614.86 o
4 6 2 42044.84 42395.68 971.94 o
6 6 2 115.55 742.49 391.13 o
8 6 2 82493.09 81547.83 2083.84 o
10 6 2 9175.09 10369.20 852.47 o
12 6 2 57366.03 57811.09 1451.77 o
14 6 2 16079.76 17108.64 1094.43 o
-11 7 2 41667.86 41624.48 2327.01 o
-9 7 2 21292.70 23473.97 1256.88 o
-7 7 2 46535.00 47332.55 1599.10 o
-5 7 2 1933.13 1546.96 616.86 o
-3 7 2 23897.52 24715.43 1386.30 o
-1 7 2 530.60 270.13 464.55 o
1 7 2 248.39 -307.66 703.88 o
3 7 2 9186.01 8848.85 623.49 o
5 7 2 19795.53 22215.26 1017.58 o
7 7 2 31924.43 32544.23 1568.64 o
9 7 2 16995.67 17795.49 972.08 o
11 7 2 47081.50 47580.45 1826.28 o
-6 8 2 30028.24 32160.59 2474.73 o
-4 8 2 5606.25 7568.89 973.01 o
-2 8 2 5127.71 5006.27 706.09 o
0 8 2 17.80 -387.67 412.88 o
2 8 2 20.97 -520.07 520.07 o
4 8 2 15207.49 16660.01 1015.58 o
6 8 2 408.42 509.47 785.29 o
-19 1 3 553.55 1523.14 2249.38 o
-17 1 3 2358.39 2803.53 623.08 o
-15 1 3 197.83 137.92 268.92 o
-13 1 3 9.45 166.34 335.67 o
-11 1 3 209.57 148.93 197.27 o
-9 1 3 746.79 665.60 148.00 o
-7 1 3 1340.83 1502.56 118.34 o
-5 1 3 1830.63 2366.82 106.15 o
-3 1 3 169.61 -67.87 67.87 o
-1 1 3 2173.05 2152.02 94.97 o
1 1 3 4256.69 4955.35 157.48 o
3 1 3 18638.95 20836.49 242.74 o
5 1 3 5764.90 6448.21 152.87 o
7 1 3 1904.86 2118.35 127.78 o
9 1 3 427.57 429.52 142.59 o
11 1 3 381.03 280.97 211.66 o
13 1 3 69.07 -149.68 289.31 o
15 1 3 0.81 306.05 358.04 o
17 1 3 29.35 322.05 435.34 o
19 1 3 338.44 1059.96 1286.58 o
-20 2 3 4.28 -1046.32 1256.45 o
-16 2 3 0.39 983.82 469.37 o
-14 2 3 241.59 543.08 416.69 o
-12 2 3 3587.43 3736.15 282.68 o
-10 2 3 2743.45 2883.13 202.48 o
-8 2 3 2590.39 2454.18 115.77 o
-6 2 3 17.09 -89.06 89.06 o
-4 2 3 19.37 -82.22 82.22 o
-2 2 3 19340.92 20599.33 247.35 o
0 2 3 15.17 -13.22 86.81 o
2 2 3 603.22 781.97 115.54 o
4 2 3 55.00 -101.72 101.72 o
6 2 3 4591.51 4581.80 163.11 o
8 2 3 7.37 -130.53 130.53 o
10 2 3 7531.60 7191.81 282.49 o
12 2 3 1008.91 1119.00 334.37 o
14 2 3 1312.16 1307.40 435.27 o
16 2 3 69.35 634.73 510.17 o
18 2 3 21.64 -688.72 688.72 o
-19 3 3 1543.88 2003.10 1092.27 o
-17 3 3 146.83 1478.77 739.38 o
-15 3 3 33.38 -135.40 592.93 o
-13 3 3 10.92 110.32 258.96 o
-11 3 3 628.63 672.85 188.90 o
-9 3 3 10108.01 10141.23 255.84 o
-7 3 3 7.65 -3.27 129.74 o
-5 3 3 26724.54 26052.57 338.77 o
-3 3 3 14510.68 14543.90 232.02 o
-1 3 3 10020.25 9019.71 189.45 o
1 3 3 7012.13 7861.18 214.02 o
3 3 3 428.01 289.04 131.17 o
5 3 3 206.83 398.29 145.02 o
7 3 3 3.83 -152.67 152.67 o
9 3 3 664.21 680.77 204.38 o
11 3 3 2494.18 2618.78 371.54 o
13 3 3 7436.14 7182.72 577.74 o
15 3 3 966.40 1367.39 634.85 o
17 3 3 3371.90 3811.87 814.78 o
-18 4 3 597.18 3134.17 2976.23 o
-16 4 3 12.35 1812.95 854.12 o
-14 4 3 1362.38 590.70 463.74 o
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