#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/78/2207875.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_2207875_Fobs
loop_
_publ_author_name
'Xia, Sheng-Qing'
'Lins, Daniel'
'Bobev, Svilen'
_publ_section_title
;
 SmAl~2.64(4)~Ge~0.36(4)~, with the hexagonal Ni~3~Sn structure type
;
_journal_coeditor_code           SG6046
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i10
_journal_page_last               i12
_journal_volume                  62
_journal_year                    2006
_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                   6.3176
_cell_length_b                   6.3176
_cell_length_c                   4.5833
_exptl_crystal_F_000             215.49
_reflns_d_resolution_high        0.7816
_[local]_cod_data_source_file    sg6046Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' sad in P6(3)/mmc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            158.55
_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 0 890.45 941.99 16.83 o
-1 2 0 7535.84 7972.16 96.49 o
0 2 0 6603.03 6774.39 87.18 o
-1 3 0 3184.75 3339.87 38.15 o
0 3 0 4310.62 4045.40 63.36 o
-2 4 0 14746.00 15075.58 231.18 o
-1 4 0 941.57 947.71 20.52 o
0 4 0 3205.16 3314.29 72.37 o
-2 5 0 9.12 24.63 7.31 o
-1 5 0 3780.68 3791.87 63.75 o
0 5 0 2452.98 2524.14 67.07 o
-3 6 0 4821.32 4862.88 121.39 o
-2 6 0 1359.11 1479.19 45.60 o
-1 6 0 1484.60 1584.79 47.09 o
0 6 0 4350.74 4405.14 121.81 o
-3 7 0 1508.48 1581.34 70.33 o
-2 7 0 1570.35 1583.05 59.80 o
-1 7 0 254.86 243.99 26.13 o
0 7 0 4.02 -7.02 25.57 o
-4 8 0 2743.80 2786.32 335.14 o
-3 8 0 757.86 764.24 102.29 o
0 1 1 6194.02 6518.87 63.37 o
0 2 1 18168.65 18333.55 228.70 o
-1 3 1 2662.53 2579.44 22.28 o
0 3 1 903.93 926.17 21.65 o
-1 4 1 4490.12 4387.09 41.76 o
0 4 1 7855.92 7355.31 98.38 o
-2 5 1 3550.97 3583.56 44.14 o
-1 5 1 325.87 373.66 18.07 o
0 5 1 584.28 628.67 29.24 o
-2 6 1 4617.40 4648.92 59.90 o
-1 6 1 2483.03 2544.43 42.08 o
0 6 1 39.23 59.57 21.70 o
-3 7 1 872.13 822.63 33.58 o
-2 7 1 515.58 509.86 25.18 o
-1 7 1 2263.64 2352.45 69.98 o
0 0 2 25137.17 25006.49 624.06 o
0 1 2 631.68 639.06 16.36 o
-1 2 2 5152.92 4962.20 56.88 o
0 2 2 4593.96 4520.46 53.54 o
-1 3 2 2320.25 2206.67 26.71 o
0 3 2 3170.81 2917.77 47.55 o
-2 4 2 11309.34 11067.96 139.87 o
-1 4 2 721.44 742.24 19.30 o
0 4 2 2517.06 2485.37 55.69 o
-2 5 2 7.97 12.47 6.67 o
-1 5 2 3042.24 2925.33 40.64 o
0 5 2 1988.12 2014.30 49.90 o
-3 6 2 3942.85 3942.02 76.74 o
-2 6 2 1112.86 1156.81 31.20 o
-1 6 2 1221.65 1182.77 35.85 o
0 6 2 3615.80 3416.88 82.02 o
-3 7 2 1252.27 1196.98 42.46 o
-2 7 2 1323.52 1309.54 43.31 o
-1 7 2 216.77 238.54 21.67 o
0 1 3 3065.48 3250.23 53.13 o
0 2 3 9921.31 9494.93 119.52 o
-1 3 3 1496.29 1344.73 25.89 o
0 3 3 547.11 558.24 24.16 o
-1 4 3 2793.95 2556.32 39.96 o
0 4 3 5012.13 4877.43 83.37 o
-2 5 3 2327.65 2115.38 40.57 o
-1 5 3 210.17 201.29 15.79 o
0 5 3 413.91 460.18 33.13 o
-2 6 3 3139.39 3147.32 61.11 o
-1 6 3 1721.15 1767.08 47.75 o
0 6 3 26.58 5.22 23.55 o
0 0 4 10917.94 11628.60 358.56 o
0 1 4 268.71 325.70 22.85 o
-1 2 4 2357.66 2321.13 83.34 o
0 2 4 2172.90 2285.08 62.98 o
-1 3 4 1148.69 1170.20 33.18 o
0 3 4 1627.58 1561.38 55.32 o
-2 4 4 5913.84 5413.01 113.19 o
-1 4 4 389.77 410.05 22.88 o
0 4 4 1358.91 1356.88 60.63 o
-2 5 4 7.05 16.44 10.95 o
-1 5 4 1737.16 1719.37 45.92 o
0 5 4 1129.50 1153.18 60.84 o
0 1 5 1283.96 1256.37 63.61 o
0 2 5 4237.72 4613.68 122.69 o
-1 3 5 695.40 760.01 38.46 o
0 3 5 235.48 302.24 42.89 o
-1 4 5 1327.07 1395.15 76.13 o