#------------------------------------------------------------------------------
#$Date: 2021-01-26 07:40:26 +0200 (Tue, 26 Jan 2021) $
#$Revision: 261216 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/87/2108753.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_2108753
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.4084(2)
_cell_length_b                   4.4084(2)
_cell_length_c                   16.9376(12)
_cod_data_source_file            ne5003NaOnAmsup6.hkl
_cod_data_source_block           NaOnAm
_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 31.68 31.45 216170.28 o
0 0 2 2.63 2.60 7461.01 o
0 0 3 19.67 19.92 136791.11 o
0 0 4 4.68 4.76 30513.20 o
0 0 5 9.58 8.93 73396.44 o
0 0 6 2.76 3.07 30119.62 o
0 0 7 3.45 4.13 220883.24 o
0 0 8 3.87 3.81 91767.56 o
0 0 9 1.05 1.03 9840.85 o
0 0 10 1.15 1.21 11915.07 o
0 0 11 2.35 2.40 21423.92 o
0 0 12 1.08 1.08 19334.10 o
0 0 13 0.05 0.05 543.77 o
0 0 14 0.08 0.08 2164.37 o
0 0 15 0.83 0.82 11383.82 o
0 0 16 1.35 1.37 21498.44 o
1 0 1 113.18 114.28 821861.47 o
1 0 2 22.19 22.39 202658.67 o
1 0 3 12.20 13.06 1131384.65 o
1 0 4 8.91 9.04 144913.99 o
1 0 5 7.48 7.71 196168.67 o
1 0 6 7.99 7.75 324551.31 o
1 0 7 4.05 4.16 111789.35 o
1 0 8 2.91 2.76 42205.32 o
1 0 9 0.85 0.84 34528.48 o
1 0 10 0.01 0.01 92.44 o
1 0 11 0.01 0.01 131.01 o
1 0 12 0.32 0.32 3578.01 o
1 0 13 0.02 0.02 328.27 o
1 0 14 1.81 1.76 43556.52 o
1 0 15 2.70 2.70 43952.20 o
1 0 16 1.41 1.39 26459.61 o
1 1 0 7.31 7.11 48853.59 o
1 1 1 0.26 0.26 4304.80 o
1 1 2 18.44 18.52 133351.93 o
1 1 3 20.74 21.63 384310.57 o
1 1 4 24.19 23.50 492340.75 o
1 1 5 22.41 22.61 729364.72 o
1 1 6 25.27 25.98 607110.00 o
1 1 7 31.81 30.15 487574.52 o
1 1 8 34.10 32.85 1217276.66 o
1 1 9 31.95 29.53 1096929.39 o
1 1 10 23.71 22.97 403658.95 o
1 1 11 16.84 16.99 297388.58 o
1 1 12 16.62 16.16 325729.43 o
1 1 13 17.38 16.68 397074.87 o
1 1 14 12.44 12.36 197694.45 o
1 1 15 5.94 5.98 97247.40 o
1 1 16 2.69 2.75 105349.98 o
2 0 0 50.08 54.21 889511.27 o
2 0 1 79.11 83.98 978710.17 o
2 0 2 44.37 47.55 584106.36 o
2 0 3 27.90 29.60 285750.06 o
2 0 4 23.12 23.01 203476.05 o
2 0 5 22.40 21.54 393200.16 o
2 0 6 16.99 16.14 631928.30 o
2 0 7 7.19 7.05 198247.05 o
2 0 8 3.17 3.19 36725.21 o
2 0 9 2.94 2.99 40549.31 o
2 0 10 3.34 3.32 40272.40 o
2 0 11 2.72 2.76 32929.29 o
2 0 12 1.53 1.55 24217.02 o
2 0 13 0.96 0.94 18526.89 o
2 0 14 1.12 1.13 18484.97 o
2 0 15 1.85 1.88 72394.88 o
2 1 1 6.04 6.06 47958.08 o
2 1 2 11.76 10.88 102292.83 o
2 1 3 10.36 10.17 99465.38 o
2 1 4 6.89 7.44 99493.60 o
2 1 5 6.58 7.07 123560.88 o
2 1 6 9.90 9.05 297761.18 o
2 1 7 8.76 8.82 96682.51 o
2 1 8 3.17 3.22 37321.25 o
2 1 9 0.49 0.49 6511.01 o
2 1 10 0.07 0.07 1386.59 o
2 1 11 0.02 0.02 602.06 o
2 1 12 0.02 0.02 296.33 o
2 1 13 0.48 0.48 7223.06 o
2 1 14 1.49 1.47 28806.44 o
2 2 0 19.39 20.94 308737.74 o
2 2 1 34.16 36.67 451177.69 o
2 2 2 25.81 25.97 230653.68 o
2 2 3 19.26 19.22 170495.00 o
2 2 4 15.42 15.42 165348.60 o
2 2 5 12.62 12.44 211448.59 o
2 2 6 8.62 8.53 114845.76 o
2 2 7 4.60 4.58 53772.80 o
2 2 8 2.38 2.41 27876.92 o
2 2 9 1.68 1.62 35673.07 o
2 2 10 1.55 1.60 20991.01 o
2 2 11 1.34 1.35 22467.59 o
2 2 12 0.98 1.00 15047.12 o
3 0 1 0.36 0.36 3946.98 o
3 0 2 2.34 2.39 22542.36 o
3 0 3 3.12 3.12 46007.01 o
3 0 4 1.36 1.42 23219.66 o
3 0 5 1.18 1.16 12572.10 o
3 0 6 3.17 3.16 36966.55 o
3 0 7 3.35 3.39 37164.79 o
3 0 8 0.83 0.79 21740.26 o
3 0 9 0.06 0.06 1377.52 o
3 0 10 0.05 0.05 772.32 o
3 0 11 0.02 0.02 265.03 o
3 0 12 0.07 0.08 1481.37 o
3 1 0 1.49 1.60 25069.15 o
3 1 1 3.12 3.29 53693.00 o
3 1 2 5.25 5.23 69569.64 o
3 1 3 10.71 10.55 115904.72 o
3 1 4 13.57 13.21 166040.71 o
3 1 5 11.64 11.24 198064.24 o
3 1 6 13.37 13.52 176567.22 o
3 1 7 21.18 20.01 554192.89 o
3 1 8 25.42 24.50 624760.33 o
3 1 9 21.30 20.72 422789.30 o
3 1 10 17.27 16.99 239958.61 o
3 1 11 16.06 15.70 291029.13 o
3 2 1 0.74 0.76 12650.80 o
3 2 2 1.65 1.57 43978.99 o
3 2 3 1.93 1.92 25924.81 o
3 2 4 2.26 2.29 38102.96 o
3 2 5 2.83 2.90 35294.67 o
3 2 6 3.04 2.94 52964.73 o
3 2 7 2.41 2.40 36044.04 o
3 2 8 1.28 1.31 20837.31 o
3 2 9 0.39 0.39 7843.58 o
3 3 0 0.22 0.23 3184.18 o
3 3 1 0.80 0.79 12081.00 o
3 3 2 1.47 1.43 26074.63 o
3 3 3 1.61 1.67 30413.21 o
3 3 4 1.74 1.71 49960.93 o
4 0 0 4.61 4.72 66596.61 o
4 0 1 10.43 10.67 150329.57 o
4 0 2 10.58 10.50 162794.84 o
4 0 3 7.26 7.17 95112.93 o
4 0 4 5.17 5.21 76588.04 o
4 0 5 5.27 5.34 82712.92 o
4 0 6 4.08 4.07 76219.99 o
4 0 7 1.59 1.63 67908.95 o
4 1 1 0.06 0.06 948.41 o
4 1 2 0.71 0.71 11680.66 o
4 1 3 1.51 1.54 23871.51 o
4 1 4 1.30 1.28 20062.01 o
4 1 5 1.38 1.43 25181.07 o