#------------------------------------------------------------------------------
#$Date: 2021-01-26 07:40:26 +0200 (Tue, 26 Jan 2021) $
#$Revision: 261216 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/87/2108752.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_2108752
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.43232(9)
_cell_length_b                   4.43232(9)
_cell_length_c                   14.0143(8)
_cod_data_source_file            ne5003NaOnBusup5.hkl
_cod_data_source_block           NaOnBu
_shelx_f_squared_multiplier      1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, y+1/2, -z '
'-x+1/2, -y+1/2, z '
'-x+1/2, y, z '
'-y, -x, -z '
'-y, x+1/2, -z '
'-y+1/2, -x+1/2, z '
'-y+1/2, x, z '
'y, -x+1/2, z '
'y, x, z '
'y+1/2, -x, -z '
'y+1/2, x+1/2, -z '
'x, -y+1/2, z '
'-x, -y, -z '
'x+1/2, -y, -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
0 0 1 28.79 28.43 854846.47 o
0 0 2 4.35 4.30 363105.98 o
0 0 3 16.24 16.92 4156778.18 o
0 0 4 5.31 4.92 780250.54 o
0 0 5 8.33 9.20 1543499.99 o
0 0 6 0.68 0.66 73943.79 o
0 0 7 3.87 4.19 1297260.52 o
0 0 8 1.96 1.95 232894.75 o
0 0 9 1.05 1.11 281439.73 o
0 0 10 2.01 1.98 198845.36 o
0 0 11 0.22 0.22 29925.09 o
0 0 12 0.43 0.44 58869.65 o
0 0 13 1.49 1.51 260055.06 o
1 0 1 103.53 106.82 7466080.77 o
1 0 2 11.75 12.51 4605533.90 o
1 0 3 16.29 15.97 5245217.44 o
1 0 4 6.31 6.79 1157979.01 o
1 0 5 9.93 9.47 1594454.10 o
1 0 6 7.53 7.58 973339.36 o
1 0 7 0.61 0.64 161643.31 o
1 0 8 0.99 0.99 114319.11 o
1 0 9 0.01 0.01 625.20 o
1 0 10 0.04 0.05 4955.28 o
1 0 11 0.04 0.04 5602.26 o
1 0 12 2.64 2.71 394595.49 o
1 0 13 2.40 2.40 348405.95 o
1 1 0 12.63 11.41 1483529.14 o
1 1 1 2.39 2.38 186792.24 o
1 1 2 24.93 25.81 3883469.93 o
1 1 3 21.69 21.77 1757283.54 o
1 1 4 29.20 28.35 3724078.41 o
1 1 5 25.29 25.51 4405769.12 o
1 1 6 42.99 40.21 16988510.61 o
1 1 7 37.24 35.84 8343407.70 o
1 1 8 32.24 32.21 3917960.48 o
1 1 9 27.75 27.22 2780284.40 o
1 1 10 21.13 20.93 2804276.86 o
1 1 11 23.24 22.95 3375066.23 o
1 1 12 15.76 15.28 3668749.37 o
1 1 13 7.41 7.45 996327.94 o
2 0 0 50.36 53.02 8144399.81 o
2 0 1 86.26 87.29 5982516.02 o
2 0 2 43.49 46.53 13088155.98 o
2 0 3 27.51 29.55 9516705.35 o
2 0 4 27.60 25.67 10537135.58 o
2 0 5 20.27 20.17 2723652.99 o
2 0 6 9.14 9.07 1189233.46 o
2 0 7 3.46 3.50 427433.93 o
2 0 8 4.14 4.09 430378.22 o
2 0 9 4.08 4.06 551158.69 o
2 0 10 2.37 2.35 328026.14 o
2 0 11 1.60 1.61 354666.47 o
2 0 12 2.18 2.18 320247.97 o
2 1 1 12.21 12.45 1062268.11 o
2 1 2 16.93 16.48 2377833.77 o
2 1 3 9.04 9.62 1925436.64 o
2 1 4 8.60 8.61 1052857.61 o
2 1 5 11.52 11.35 1426366.08 o
2 1 6 8.81 8.79 984388.62 o
2 1 7 2.68 2.68 289393.43 o
2 1 8 0.39 0.40 42579.87 o
2 1 9 0.09 0.09 12190.63 o
2 1 10 0.01 0.01 1177.79 o
2 1 11 0.73 0.74 127483.14 o
2 1 12 2.47 2.48 321653.36 o
2 2 0 28.54 30.00 6052712.93 o
2 2 1 44.61 47.57 11633803.12 o
2 2 2 27.97 27.89 2674615.53 o
2 2 3 20.72 20.97 2610502.62 o
2 2 4 17.14 17.05 1784048.87 o
2 2 5 11.44 11.31 1258337.42 o
2 2 6 5.93 5.94 704287.91 o
2 2 7 3.49 3.55 401097.99 o
2 2 8 2.72 2.74 377978.26 o
2 2 9 2.27 2.27 491656.96 o
2 2 10 1.64 1.63 226939.21 o
3 0 1 0.72 0.73 68861.79 o
3 0 2 5.47 5.48 521247.35 o
3 0 3 1.82 1.82 182020.63 o
3 0 4 2.28 2.28 295162.45 o
3 0 5 4.01 4.04 445698.86 o
3 0 6 3.07 3.09 393322.52 o
3 0 7 1.18 1.17 153487.11 o
3 0 8 0.04 0.04 6759.35 o
3 0 9 0.08 0.08 13827.71 o
3 0 10 0.01 0.01 1840.44 o
3 1 0 2.16 2.12 201298.87 o
3 1 1 2.90 2.83 251877.23 o
3 1 2 10.60 10.45 950799.99 o
3 1 3 19.29 19.33 1950442.60 o
3 1 4 16.01 16.03 1904622.71 o
3 1 5 22.24 22.24 2764494.69 o
3 1 6 29.63 29.35 3873480.12 o
3 1 7 36.33 35.85 5914417.53 o
3 1 8 30.90 29.97 7214711.95 o
3 1 9 25.58 25.46 3444249.33 o
3 2 1 1.60 1.63 212465.31 o
3 2 2 3.47 3.48 434868.87 o
3 2 3 3.42 3.40 421928.80 o
3 2 4 3.90 3.93 589993.30 o
3 2 5 4.56 4.70 612428.55 o
3 2 6 3.67 3.61 798816.04 o
3 2 7 1.55 1.55 225759.36 o
3 2 8 0.33 0.33 42584.54 o
3 3 0 0.34 0.34 46336.35 o
3 3 1 1.59 1.58 203500.30 o
3 3 2 2.57 2.58 378093.42 o
3 3 3 3.10 3.11 412917.80 o
4 0 0 8.42 8.59 1481373.31 o
4 0 1 19.53 19.58 3897237.65 o
4 0 2 14.14 13.56 3009250.03 o
4 0 3 9.27 9.35 1583734.60 o
4 0 4 9.17 9.28 1323369.37 o
4 0 5 5.72 5.74 868467.24 o
4 1 1 0.43 0.44 72348.43 o
4 1 2 2.71 2.76 464004.90 o
4 1 3 2.12 2.12 308874.68 o
4 1 4 2.63 2.65 404775.00 o
4 1 5 3.51 3.52 453765.11 o