#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:16:39 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180842 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/73/2017323.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_2017323_Fobs
loop_
_publ_author_name
'Rauscher, Japheth F.'
'Condron, Cathie L.'
'Beault, Tanya'
'Kauzlarich, Susan M.'
'Jensen, Newell'
'Klavins, Peter'
'MaQuilon, Samuel'
'Fisk, Zachary'
'Olmstead, Marilyn M.'
_publ_section_title
;
 Flux growth and structure of two compounds with the EuIn~2~P~2~
 structure type, <i>A</i>In~2~P~2~ (<i>A</i> = Ca and Sr), and a new
 structure type, BaIn~2~P~2~
;
_journal_coeditor_code           FA3198
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i69
_journal_page_last               i73
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   4.0220
_cell_length_b                   4.0220
_cell_length_c                   17.4080
_exptl_crystal_F_000             296.00
_reflns_d_resolution_high        0.6999
_cod_data_source_file            fa3198CaIn2P2sup2.hkl
_cod_data_source_block           CaIn2P2
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' CaIn2P2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            202.79
_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-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, 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
0 1 0 5678.95 5626.28 42.26 o
-1 2 0 41124.64 36478.73 216.05 o
0 2 0 3476.50 3250.83 45.96 o
-1 3 0 2552.28 2565.47 38.10 o
0 3 0 20739.24 18535.43 150.01 o
-2 4 0 16263.78 15221.45 159.59 o
-1 4 0 1565.55 1548.23 48.62 o
0 4 0 1269.81 1424.03 83.49 o
-2 5 0 1049.34 1019.51 61.84 o
-1 5 0 9278.65 9378.30 144.39 o
0 1 1 10458.56 10620.73 42.68 o
0 2 1 6624.67 6333.56 44.50 o
-1 3 1 4626.72 4424.83 34.01 o
0 3 1 0.00 -14.17 14.17 o
-1 4 1 2722.06 2693.09 42.76 o
0 4 1 2229.38 2249.09 71.89 o
-2 5 1 1880.56 1974.33 51.31 o
-1 5 1 0.00 -27.10 27.10 o
0 0 2 2324.39 2467.82 37.97 o
0 1 2 4860.47 5101.48 29.14 o
-1 2 2 1612.78 1551.98 23.65 o
0 2 2 2892.48 2826.03 30.35 o
-1 3 2 1981.80 1950.81 24.12 o
0 3 2 865.81 816.67 29.96 o
-2 4 2 672.12 643.42 31.39 o
-1 4 2 1174.26 1146.13 34.49 o
0 4 2 969.63 968.51 49.86 o
-2 5 2 822.60 739.93 36.65 o
-1 5 2 379.20 333.14 38.50 o
0 1 3 2146.74 2277.87 20.18 o
0 2 3 1246.40 1288.35 22.74 o
-1 3 3 923.27 942.91 18.83 o
0 3 3 0.00 -15.78 15.78 o
-1 4 3 585.26 554.36 24.09 o
0 4 3 477.45 401.18 38.95 o
-2 5 3 393.36 311.92 31.08 o
-1 5 3 0.00 -29.63 29.63 o
0 0 4 6637.24 7576.12 91.75 o
0 1 4 6392.87 6706.36 39.27 o
-1 2 4 3700.38 3560.01 35.75 o
0 2 4 3874.46 3813.81 34.50 o
-1 3 4 2755.77 2675.28 27.71 o
0 3 4 2105.42 2205.43 47.49 o
-2 4 4 1674.90 1717.98 50.06 o
-1 4 4 1696.56 1694.95 35.79 o
0 4 4 1401.65 1292.13 54.87 o
-2 5 4 1180.79 1201.78 42.62 o
-1 5 4 925.70 941.39 49.83 o
0 1 5 10290.01 10757.97 57.08 o
0 2 5 6724.42 6715.42 45.35 o
-1 3 5 4859.90 4861.26 38.85 o
0 3 5 0.00 -16.86 16.86 o
-1 4 5 2982.26 3104.69 48.71 o
0 4 5 2462.21 2608.75 87.20 o
-2 5 5 2080.90 2088.92 53.44 o
-1 5 5 0.00 -29.97 29.97 o
0 0 6 24434.13 25903.28 209.83 o
0 1 6 976.54 999.29 19.62 o
-1 2 6 15407.18 15617.74 75.24 o
0 2 6 705.38 687.19 19.13 o
-1 3 6 522.33 519.44 17.98 o
0 3 6 8086.27 8068.91 83.91 o
-2 4 6 6415.48 6358.86 91.12 o
-1 4 6 317.20 278.58 22.62 o
0 4 6 260.60 164.17 37.37 o
-2 5 6 220.60 166.25 28.81 o
-1 5 6 3889.16 4343.60 80.95 o
0 1 7 21479.18 21705.85 89.11 o
0 2 7 14684.29 14545.03 78.70 o
-1 3 7 10997.65 11024.17 65.52 o
0 3 7 0.00 -18.54 18.54 o
-1 4 7 6988.90 6967.11 70.87 o
0 4 7 5790.35 5733.64 105.69 o
-2 5 7 4881.08 5197.24 80.79 o
-1 5 7 0.00 -30.62 30.62 o
0 0 8 2708.15 2748.02 74.39 o
0 1 8 3726.78 3797.60 38.77 o
-1 2 8 1898.97 1921.37 26.62 o
0 2 8 2501.01 2597.49 37.09 o
-1 3 8 1838.20 1976.02 33.83 o
0 3 8 1072.46 1102.43 43.59 o
-2 4 8 856.38 818.22 60.73 o
-1 4 8 1181.25 1185.35 36.43 o
0 4 8 998.07 955.72 57.58 o
-2 5 8 860.54 928.95 42.73 o
-1 5 8 521.17 412.33 40.63 o
0 1 9 151.26 120.19 12.29 o
0 2 9 101.88 51.26 15.00 o
-1 3 9 73.39 33.37 14.07 o
0 3 9 0.00 -20.90 20.90 o
-1 4 9 47.08 2.43 21.02 o
0 4 9 40.72 -31.14 37.02 o
-2 5 9 36.34 -29.92 29.92 o
-1 5 9 0.00 -50.26 50.26 o
0 0 10 486.17 463.09 83.05 o
0 1 10 499.85 494.93 16.75 o
-1 2 10 342.85 285.66 20.29 o
0 2 10 329.65 271.48 21.09 o
-1 3 10 242.53 189.88 18.45 o
0 3 10 224.57 134.79 28.17 o
-2 4 10 185.61 83.39 29.73 o
-1 4 10 165.29 88.33 23.44 o
0 4 10 145.46 126.95 44.52 o
-2 5 10 130.61 126.92 33.47 o
0 1 11 8367.74 8309.49 61.18 o
0 2 11 6253.94 6168.99 68.74 o
-1 3 11 4902.12 4935.98 53.00 o
0 3 11 0.00 -25.75 25.75 o
-1 4 11 3282.33 3501.47 62.22 o
0 4 11 2764.73 2750.15 93.85 o
-2 5 11 2359.67 2570.08 70.60 o
0 0 12 18457.01 19128.82 233.53 o
0 1 12 1244.13 1275.00 31.70 o
-1 2 12 13529.57 13652.41 107.87 o
0 2 12 950.62 1003.58 35.30 o
-1 3 12 748.15 725.24 26.59 o
0 3 12 8508.24 8537.98 117.95 o
-2 4 12 7085.73 7431.04 113.07 o
-1 4 12 500.30 431.74 31.52 o
0 4 12 422.44 371.12 53.16 o
-2 5 12 362.54 548.25 130.12 o
0 1 13 4810.65 4898.15 55.52 o
0 2 13 3633.44 3678.77 70.24 o
-1 3 13 2887.56 3134.93 49.41 o
0 3 13 0.00 -26.50 26.50 o
-1 4 13 2029.00 2230.80 56.46 o
0 4 13 1761.28 1864.67 84.37 o
0 0 14 8257.29 8465.64 168.46 o
0 1 14 4807.87 4679.92 59.35 o
-1 2 14 6423.76 6432.09 80.21 o
0 2 14 3761.08 3901.69 78.15 o
-1 3 14 3053.07 3237.02 52.00 o
0 3 14 4207.56 4377.47 97.00 o
-2 4 14 3504.42 3903.49 96.23 o
-1 4 14 2153.20 2173.02 59.02 o
0 4 14 1847.08 1920.09 89.70 o
0 1 15 563.56 555.65 32.19 o
0 2 15 442.85 389.20 37.07 o
-1 3 15 362.68 293.34 28.12 o
0 3 15 0.00 -32.40 32.40 o
-1 4 15 264.50 208.64 36.05 o
0 0 16 124.45 100.03 46.55 o
0 1 16 821.22 769.65 36.80 o
-1 2 16 100.27 45.91 24.45 o
0 2 16 665.38 619.81 42.89 o
-1 3 16 554.18 513.68 33.05 o
0 3 16 62.33 -36.21 36.21 o
-2 4 16 49.15 -22.11 45.56 o
-1 4 16 402.66 276.33 38.67 o
0 1 17 511.82 470.11 33.55 o
0 2 17 417.44 347.38 41.11 o
-1 3 17 356.21 238.14 30.77 o
0 3 17 0.00 -40.05 40.05 o
-1 4 17 282.06 151.10 57.93 o
0 0 18 11600.70 11227.88 469.82 o
0 1 18 953.07 837.95 43.25 o
-1 2 18 9499.67 9468.04 133.80 o
0 2 18 777.18 674.31 49.31 o
-1 3 18 645.74 578.69 39.91 o
0 3 18 6776.49 6898.36 126.60 o
0 1 19 5415.37 5549.64 89.67 o
0 2 19 4516.21 4752.42 100.89 o
-1 3 19 3837.66 4099.20 83.61 o
0 3 19 0.00 -42.10 47.26 o
0 0 20 1095.42 751.80 175.61 o
0 1 20 1252.77 1277.11 61.83 o
-1 2 20 925.37 970.32 59.86 o
0 2 20 1073.71 1136.89 68.68 o
-1 3 20 937.07 1007.35 55.37 o
0 1 21 2216.11 2091.52 86.07 o
0 2 21 1867.28 1696.95 81.89 o
-1 3 21 1591.42 1631.14 101.71 o
0 0 22 132.41 93.88 109.08 o
0 1 22 147.50 86.44 51.98 o
-1 2 22 116.21 57.20 55.25 o
0 2 22 128.06 -32.87 54.63 o
0 1 23 1412.59 1323.04 93.69 o
0 0 24 2196.02 2593.28 513.26 o
0 1 24 44.38 -61.77 62.38 o