#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2015819.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_2015819_Fobs
loop_
_publ_author_name
'Solokha, Pavlo'
'De Negri, Serena'
'Saccone, Adriana'
'Pavlyuk, Volodymyr'
'Marciniak, Bernard'
'Tedenac, Jean-Claude'
_publ_section_title
;
 Tb~2~Ni~2~Mg~3~: a new structure type derived from the Ru~3~Al~2~B~2~
 type
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i13
_journal_page_last               i16
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.9788
_cell_length_b                   21.2031
_cell_length_c                   3.6583
_exptl_crystal_F_000             444.00
_reflns_d_resolution_high        0.8001
_[local]_cod_data_source_file    sq3057Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' tb2ni2mg3 in Cmmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            305.07
_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'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
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 93068.38 97173.55 982.85 o
4 0 0 25893.77 33211.80 383.67 o
1 1 0 4310.05 4800.45 110.14 o
3 1 0 1879.05 1961.82 103.88 o
2 2 0 22576.52 22396.20 249.68 o
4 2 0 7347.71 8270.20 236.76 o
1 3 0 20572.93 18846.83 250.31 o
3 3 0 8842.21 9424.17 235.58 o
0 4 0 4.44 79.33 44.27 o
2 4 0 14.68 36.41 50.20 o
4 4 0 23.38 204.76 253.37 o
1 5 0 14711.32 14195.64 131.66 o
3 5 0 5667.34 5339.28 184.96 o
0 6 0 30846.08 33505.77 360.83 o
2 6 0 18622.38 15884.97 221.78 o
4 6 0 6704.34 6522.78 281.03 o
1 7 0 22178.11 21889.12 468.40 o
3 7 0 7572.42 7144.28 200.48 o
0 8 0 42922.93 47303.02 1106.78 o
2 8 0 25793.47 23615.53 455.95 o
4 8 0 8662.43 7976.50 572.95 o
1 9 0 43056.09 37869.30 312.54 o
3 9 0 18715.53 17478.61 189.70 o
0 10 0 9209.18 10429.85 109.21 o
2 10 0 5331.17 5317.06 132.29 o
4 10 0 1476.33 1203.80 132.15 o
1 11 0 37588.38 33877.56 291.06 o
3 11 0 17086.96 16579.10 284.52 o
0 12 0 10966.01 12483.92 186.82 o
2 12 0 6967.15 7033.79 214.67 o
4 12 0 2368.17 2179.90 118.17 o
1 13 0 3727.27 3493.84 154.34 o
3 13 0 1641.00 1829.47 89.32 o
0 14 0 4268.21 4678.20 127.28 o
2 14 0 3381.17 3188.62 105.81 o
4 14 0 1839.70 1937.16 124.60 o
1 15 0 10262.86 8526.40 473.41 o
3 15 0 5162.74 5525.65 176.60 o
0 16 0 570.20 586.29 101.75 o
2 16 0 430.36 585.01 90.15 o
1 17 0 34477.19 28750.73 329.44 o
3 17 0 16892.42 18433.85 441.47 o
0 18 0 5543.98 5749.76 104.00 o
2 18 0 3983.54 3806.13 219.05 o
1 19 0 7547.02 6973.93 151.43 o
3 19 0 4366.11 4658.51 155.16 o
0 20 0 14555.59 15916.52 197.73 o
2 20 0 10537.51 9444.77 216.53 o
1 21 0 344.19 478.51 192.16 o
3 21 0 118.28 16.46 173.48 o
2 22 0 3550.95 3518.69 211.97 o
1 23 0 3827.53 4256.10 186.62 o
2 24 0 1557.67 1557.73 190.54 o
1 25 0 3911.99 4200.69 194.59 o
0 0 1 12667.45 14262.34 260.05 o
2 0 1 8258.15 7793.61 325.94 o
4 0 1 3444.30 3900.60 195.42 o
1 1 1 25395.68 27346.44 272.74 o
3 1 1 9119.13 10372.42 402.95 o
0 2 1 2704.72 2874.27 60.46 o
2 2 1 1811.34 1785.74 47.26 o
4 2 1 782.99 845.31 114.33 o
1 3 1 57336.77 57774.86 636.97 o
3 3 1 23572.76 25249.22 694.93 o
0 4 1 6702.90 6942.62 183.54 o
2 4 1 4093.54 3766.54 148.22 o
4 4 1 1516.96 1616.67 261.70 o
1 5 1 44748.89 43881.71 942.29 o
3 5 1 18391.78 16652.47 455.02 o
0 6 1 66159.11 62715.45 1584.97 o
2 6 1 39012.88 36334.90 323.90 o
4 6 1 12137.15 11645.76 355.74 o
1 7 1 5014.67 5359.23 228.58 o
3 7 1 1748.69 1666.48 57.65 o
0 8 1 11696.33 12117.75 136.25 o
2 8 1 7910.54 7441.31 130.68 o
4 8 1 3455.16 3034.08 94.52 o
1 9 1 6445.86 5943.70 75.91 o
3 9 1 3396.87 3124.28 78.89 o
0 10 1 795.50 871.29 62.17 o
2 10 1 471.25 453.90 55.47 o
4 10 1 139.77 83.51 71.01 o
1 11 1 21380.56 20565.54 425.69 o
3 11 1 9705.62 9612.24 175.10 o
0 12 1 29284.58 30938.95 227.15 o
2 12 1 19422.79 19826.07 609.15 o
4 12 1 7376.75 6780.39 224.40 o
1 13 1 12.00 54.04 43.67 o
3 13 1 41.76 134.70 74.11 o
0 14 1 43727.25 48561.08 316.29 o
2 14 1 29438.63 30427.71 579.09 o
4 14 1 11181.62 11494.15 138.21 o
1 15 1 2543.79 2492.27 182.08 o
3 15 1 1546.89 1574.98 74.22 o
0 16 1 13446.42 14291.23 179.01 o
2 16 1 9041.67 9517.95 179.05 o
1 17 1 7885.48 6535.20 249.08 o
3 17 1 4447.09 4596.65 167.76 o
0 18 1 3228.56 3341.50 161.92 o
2 18 1 2175.74 2089.58 137.71 o
1 19 1 1293.28 1187.66 91.55 o
3 19 1 725.47 761.02 96.30 o
0 20 1 7698.12 8073.37 161.42 o
2 20 1 5944.42 5351.22 138.87 o
1 21 1 3689.98 3653.68 301.06 o
0 22 1 8186.94 9177.07 152.49 o
2 22 1 6002.36 5674.00 355.00 o
1 23 1 14192.86 14495.77 216.94 o
0 24 1 282.37 179.50 84.07 o
1 25 1 4441.87 4598.71 118.67 o
0 0 2 84310.27 89076.04 1098.30 o
2 0 2 52486.48 52529.94 332.08 o
4 0 2 17386.63 19519.91 369.33 o
1 1 2 2577.87 2561.94 46.52 o
3 1 2 1355.70 1420.98 81.03 o
0 2 2 20523.69 21410.65 366.38 o
2 2 2 13463.07 13639.93 273.71 o
4 2 2 5185.35 5676.85 143.36 o
1 3 2 12479.37 13111.25 336.90 o
3 3 2 6425.10 6504.85 91.66 o
0 4 2 31.11 54.81 43.69 o
2 4 2 33.30 65.41 43.48 o
4 4 2 29.23 105.93 85.67 o
1 5 2 8430.09 9005.77 241.57 o
3 5 2 3853.81 3971.29 98.84 o
0 6 2 17536.79 17104.21 149.38 o
2 6 2 12006.66 11430.53 219.82 o
4 6 2 4925.37 4902.86 190.66 o
1 7 2 11016.89 10946.21 264.52 o
3 7 2 4381.93 4493.71 117.59 o
0 8 2 24104.33 22232.20 434.88 o
2 8 2 16155.78 15116.83 224.61 o
4 8 2 6164.92 6033.53 177.46 o
1 9 2 25373.70 22969.09 139.88 o
3 9 2 12699.90 11839.28 154.77 o
0 10 2 4731.33 4538.20 133.98 o
2 10 2 2974.98 2565.58 57.53 o
4 10 2 946.22 723.72 98.61 o
1 11 2 22925.45 20846.76 346.32 o
3 11 2 11717.54 11038.02 270.90 o
0 12 2 6792.25 7046.20 114.62 o
2 12 2 4626.24 4434.80 137.03 o
1 13 2 2279.04 2415.24 68.80 o
3 13 2 1106.91 1123.65 82.48 o
0 14 2 3517.20 3749.64 173.84 o
2 14 2 2857.91 2741.73 86.62 o
1 15 2 6779.42 7285.04 160.90 o
3 15 2 3669.80 3642.40 106.24 o
0 16 2 457.35 440.07 82.26 o
2 16 2 351.27 423.73 79.14 o
1 17 2 22311.55 24880.06 589.94 o
3 17 2 11688.23 12390.08 289.55 o
0 18 2 3732.52 3953.90 151.37 o
2 18 2 2776.76 2873.15 174.66 o
1 19 2 5372.33 5721.67 159.67 o
0 20 2 10145.19 10296.64 260.72 o
2 20 2 7530.75 8375.89 579.00 o
1 21 2 154.40 98.66 85.08 o
0 22 2 3446.46 3017.44 343.75 o
1 23 2 2899.70 2308.78 215.30 o
0 0 3 5907.49 5966.17 254.89 o
2 0 3 4497.31 5309.80 221.38 o
1 1 3 7874.17 8304.56 119.63 o
3 1 3 3707.29 3936.42 128.88 o
0 2 3 1470.28 1485.61 60.69 o
2 2 3 1119.91 1068.01 75.44 o
1 3 3 20959.07 21671.94 260.22 o
3 3 3 11160.33 11604.37 462.69 o
0 4 3 2407.51 2442.10 72.62 o
2 4 3 1773.23 1780.77 76.78 o
1 5 3 15879.84 15792.57 275.12 o
3 5 3 8357.64 8866.34 186.20 o
0 6 3 22255.53 23400.56 201.60 o
2 6 3 15409.67 15848.64 278.00 o
1 7 3 1342.58 1235.99 46.78 o
3 7 3 591.04 506.41 129.61 o
0 8 3 5614.97 5352.35 114.05 o
2 8 3 4315.06 4288.69 276.33 o
1 9 3 3493.45 3189.88 120.90 o
3 9 3 2079.70 1881.11 122.78 o
0 10 3 218.73 196.42 75.90 o
2 10 3 148.02 306.36 89.40 o
1 11 3 9054.13 9179.33 275.90 o
3 11 3 4802.94 4517.78 149.84 o
0 12 3 11928.44 11525.19 330.83 o
2 12 3 8770.06 8482.30 162.99 o
1 13 3 56.17 86.31 64.69 o
0 14 3 18499.09 18791.50 512.68 o
2 14 3 13553.50 13790.20 199.53 o
1 15 3 1544.81 1464.59 76.98 o
0 16 3 5480.17 5498.00 166.43 o
2 16 3 3977.72 3860.18 139.28 o
1 17 3 4320.40 4391.89 101.72 o
0 18 3 1425.56 1400.58 109.68 o
1 19 3 775.31 877.06 118.77 o
0 20 3 4434.04 4887.80 205.13 o
0 0 4 20174.17 22442.48 901.31 o
2 0 4 14648.89 15296.96 914.47 o
1 1 4 972.75 948.30 69.93 o
0 2 4 5816.80 5926.89 200.01 o
2 2 4 4408.77 4722.13 216.94 o
1 3 4 4728.84 4628.33 116.85 o
0 4 4 62.35 103.47 117.61 o
2 4 4 51.40 114.17 100.72 o
1 5 4 2670.76 2699.41 131.56 o
0 6 4 5896.42 5584.05 139.52 o
2 6 4 4508.28 4285.15 217.05 o
1 7 4 2219.96 2210.32 138.75 o
0 8 4 7315.14 7256.01 162.08 o
1 9 4 8110.26 7873.08 169.03 o
0 10 4 1018.13 832.14 132.17 o
1 11 4 7566.45 7539.22 154.54 o
0 12 4 2275.21 2094.79 147.99 o