#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:45:17 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181877 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/58/2105867.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2105867
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.5890
_cell_length_b                   5.5890
_cell_length_c                   13.5500
_exptl_crystal_F_000             200.00
_reflns_d_resolution_high        0.7784
_cod_data_source_file            zb50415PNO_1.05GPasup4.hkl
_cod_data_source_block           5PNO_1.05GPa
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 1 in P4(1)2(1)2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            67.35
_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+1/2'
'-y+1/2, x+1/2, z+1/4'
'y+1/2, -x+1/2, z+3/4'
'-x+1/2, y+1/2, -z+1/4'
'x+1/2, -y+1/2, -z+3/4'
'y, x, -z'
'-y, -x, -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 2 0 2.45 2.65 0.33 o
0 4 0 35.43 35.84 1.43 o
0 6 0 193.47 192.60 4.78 o
0 1 1 264.62 223.11 1.85 o
0 2 1 496.31 486.65 3.57 o
-1 3 1 275.12 301.38 8.75 o
0 3 1 5.45 5.09 0.48 o
1 3 1 274.96 299.63 5.04 o
-1 4 1 31.88 33.91 2.97 o
0 4 1 0.66 1.67 0.92 o
1 4 1 31.86 27.56 1.80 o
0 5 1 115.25 112.91 2.22 o
0 6 1 0.02 2.08 2.96 o
0 1 2 1824.81 1697.15 18.82 o
-1 2 2 154.59 154.92 1.74 o
0 2 2 164.61 162.25 1.74 o
1 2 2 154.65 159.99 2.42 o
-1 3 2 43.31 44.08 1.08 o
0 3 2 21.22 22.22 0.61 o
1 3 2 43.27 47.23 1.47 o
-1 4 2 100.11 95.94 5.02 o
0 4 2 3.99 3.45 0.68 o
1 4 2 100.05 103.12 2.85 o
-1 5 2 145.65 154.61 5.56 o
0 5 2 109.81 115.89 6.14 o
1 5 2 145.64 153.15 7.23 o
0 6 2 5.98 6.17 1.68 o
0 1 3 492.48 460.71 4.27 o
1 1 3 1684.05 1874.28 7.72 o
-1 2 3 98.40 99.70 1.67 o
0 2 3 222.81 197.21 0.96 o
1 2 3 98.63 95.78 1.14 o
-1 3 3 375.66 381.67 5.23 o
0 3 3 1.28 1.48 0.39 o
1 3 3 375.87 378.94 4.26 o
-1 4 3 14.34 14.80 1.77 o
0 4 3 8.93 9.02 1.05 o
1 4 3 14.32 12.03 1.37 o
-1 5 3 13.04 9.38 2.00 o
0 5 3 29.16 27.00 3.91 o
1 5 3 13.06 12.63 2.67 o
0 6 3 81.03 79.09 4.15 o
0 0 4 4536.48 4661.73 26.55 o
0 1 4 947.87 1000.52 7.44 o
1 1 4 719.84 758.31 5.22 o
-1 2 4 140.95 138.75 2.79 o
0 2 4 0.51 2.32 0.52 o
1 2 4 141.26 138.63 2.69 o
-1 3 4 30.99 32.53 1.68 o
0 3 4 1.23 1.94 0.45 o
1 3 4 31.01 31.59 1.23 o
-1 4 4 65.60 67.49 2.30 o
0 4 4 0.62 1.21 1.38 o
1 4 4 65.42 68.61 2.32 o
-1 5 4 66.67 64.28 2.75 o
0 5 4 31.11 30.76 1.98 o
1 5 4 66.59 63.15 3.36 o
-1 6 4 14.48 15.78 5.53 o
0 6 4 78.81 78.18 7.91 o
0 1 5 373.47 388.52 4.88 o
1 1 5 82.62 82.77 0.75 o
-1 2 5 39.31 40.20 0.88 o
0 2 5 534.20 524.68 2.99 o
1 2 5 39.44 40.46 1.46 o
-1 3 5 39.24 39.09 1.11 o
0 3 5 2.46 2.23 0.58 o
1 3 5 39.30 37.90 1.47 o
-1 4 5 9.56 8.72 1.45 o
0 4 5 61.18 57.68 2.53 o
1 4 5 9.54 8.15 1.51 o
-1 5 5 13.33 11.37 1.78 o
0 5 5 1.42 2.99 2.59 o
1 5 5 13.35 12.36 2.46 o
-1 6 5 17.61 21.03 5.92 o
1 6 5 17.56 20.82 6.26 o
0 1 6 25.16 23.75 0.53 o
1 1 6 337.45 307.28 3.47 o
-1 2 6 176.23 186.21 3.20 o
0 2 6 155.89 159.48 1.14 o
1 2 6 176.29 182.71 4.26 o
-1 3 6 32.35 32.94 2.65 o
0 3 6 52.15 54.72 1.08 o
1 3 6 32.33 31.99 1.98 o
-1 4 6 61.47 58.79 1.96 o
0 4 6 12.59 10.26 2.72 o
1 4 6 61.39 60.16 2.51 o
-1 5 6 6.11 6.52 2.63 o
1 5 6 6.14 7.17 2.61 o
-1 6 6 27.52 31.38 7.20 o
1 6 6 27.44 23.35 5.71 o
0 1 7 104.83 104.19 1.77 o
1 1 7 657.43 664.65 6.21 o
-1 2 7 24.77 25.02 1.04 o
0 2 7 100.54 101.82 1.81 o
1 2 7 24.83 24.12 1.13 o
-1 3 7 35.49 35.48 1.45 o
0 3 7 2.47 4.22 2.16 o
1 3 7 35.48 37.10 1.57 o
-1 4 7 7.67 8.41 1.37 o
0 4 7 50.60 49.88 5.34 o
1 4 7 7.66 8.25 1.29 o
-1 5 7 17.77 16.86 2.53 o
1 5 7 17.82 16.69 2.80 o
-1 6 7 2.28 4.24 4.76 o
1 6 7 2.29 5.37 3.97 o
0 1 8 13.92 14.77 0.78 o
1 1 8 210.88 217.93 3.84 o
-1 2 8 34.95 35.30 1.08 o
1 2 8 35.06 34.84 1.11 o
-1 3 8 6.64 6.54 1.53 o
1 3 8 6.63 7.52 1.93 o
-1 4 8 3.40 4.24 1.49 o
1 4 8 3.37 4.62 1.74 o
1 5 8 0.89 2.66 3.39 o
1 6 8 14.41 10.60 3.81 o
0 1 9 134.54 142.09 3.64 o
1 1 9 166.66 165.83 2.91 o
-1 2 9 16.62 15.69 0.82 o
0 2 9 95.48 91.58 1.86 o
1 2 9 16.62 17.42 1.00 o
2 2 9 1.86 1.20 1.57 o
-1 3 9 6.44 7.59 1.32 o
1 3 9 6.46 6.54 1.48 o
-1 4 9 3.30 4.70 1.31 o
1 4 9 3.30 4.13 1.21 o
-1 5 9 12.59 11.72 2.77 o
1 5 9 12.57 12.48 3.28 o
-1 6 9 11.33 6.81 5.49 o
0 1 10 0.32 1.67 1.39 o
1 1 10 25.58 25.67 1.29 o
-1 2 10 54.78 54.54 1.21 o
0 2 10 15.39 13.32 1.95 o
1 2 10 54.78 55.50 1.32 o
2 2 10 311.35 317.89 5.78 o
-2 3 10 102.54 100.71 7.60 o
-1 3 10 4.57 4.88 2.63 o
1 3 10 4.58 4.37 1.95 o
2 3 10 102.62 97.13 5.62 o
-1 4 10 19.41 21.10 2.87 o
1 4 10 19.43 20.97 2.53 o
-1 5 10 5.95 4.09 3.35 o
1 5 10 5.95 5.06 2.69 o
0 1 11 92.36 96.32 2.56 o
1 1 11 5.65 7.61 0.93 o
-1 2 11 12.42 11.32 1.07 o
0 2 11 65.74 65.95 2.10 o
1 2 11 12.40 12.36 1.04 o
2 2 11 0.96 2.96 1.42 o
-2 3 11 34.33 32.20 5.65 o
-1 3 11 5.19 5.16 1.38 o
1 3 11 5.17 5.26 1.68 o
2 3 11 34.32 28.66 5.80 o
1 4 11 1.67 3.60 4.76 o
0 1 12 52.04 50.84 2.41 o
1 1 12 51.71 53.01 1.43 o
-1 2 12 19.30 19.74 1.90 o
0 2 12 1.09 2.08 1.32 o
1 2 12 19.22 18.18 1.65 o
2 2 12 75.04 73.91 2.25 o
-1 3 12 1.47 5.05 2.92 o
1 3 12 1.48 4.03 2.58 o
2 3 12 0.86 5.25 5.16 o
0 1 13 3.87 4.63 1.84 o
1 1 13 122.22 123.43 3.52 o
-1 2 13 8.50 8.43 1.54 o
0 2 13 5.90 7.63 1.61 o
1 2 13 8.48 9.47 1.59 o
2 2 13 0.04 3.33 2.74 o
-2 3 13 8.54 10.69 3.72 o
2 3 13 8.56 10.53 4.20 o
-1 2 14 24.00 22.54 2.37 o
0 2 14 37.51 32.74 2.46 o
1 2 14 23.98 24.78 2.58 o
2 2 14 5.23 6.14 2.08 o
-1 2 15 4.32 6.83 2.02 o
0 2 15 21.04 17.17 2.26 o
1 2 15 4.31 4.56 2.25 o
2 2 15 10.45 11.11 2.27 o
-1 2 16 7.29 6.40 3.56 o
1 2 16 7.28 7.36 3.05 o
2 2 16 0.80 3.77 2.26 o