#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:45:17 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181877 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/58/2105847.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_2105847
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.9230
_cell_length_b                   7.7856
_cell_length_c                   8.3734
_exptl_crystal_F_000             192.00
_reflns_d_resolution_high        0.7549
_cod_data_source_file            xk5018Sarcosine-2.10GPasup7.hkl
_cod_data_source_block           Sarcosine-2.10GPa
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' SARC_5 IN P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            33.66
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -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
1 2 0 32.52 34.68 1.51 o
1 3 0 963.19 913.84 47.28 o
0 4 0 284.80 304.96 3.06 o
1 4 0 0.11 0.21 0.90 o
2 4 0 6.28 2.54 2.59 o
1 5 0 54.46 57.77 1.42 o
2 5 0 117.73 125.29 4.32 o
0 6 0 110.11 118.57 2.65 o
1 6 0 35.54 37.25 1.69 o
2 6 0 51.69 53.49 2.90 o
1 7 0 61.02 60.39 2.67 o
2 7 0 4.14 4.64 3.22 o
0 8 0 158.93 157.87 12.37 o
1 8 0 16.39 16.88 3.39 o
2 8 0 17.76 19.36 4.54 o
1 9 0 1.51 2.42 4.84 o
2 9 0 11.61 9.29 6.42 o
0 1 1 111.57 116.29 1.46 o
-1 2 1 151.38 138.89 5.40 o
0 2 1 251.11 243.22 3.15 o
1 2 1 151.21 140.56 2.44 o
-1 3 1 193.26 203.43 2.78 o
0 3 1 117.55 109.98 1.53 o
1 3 1 192.79 204.29 2.61 o
-2 4 1 195.77 176.74 6.77 o
-1 4 1 238.59 241.29 4.41 o
0 4 1 188.16 192.38 1.84 o
1 4 1 238.45 257.42 3.12 o
2 4 1 195.82 187.89 5.44 o
-2 5 1 20.26 22.15 1.77 o
-1 5 1 116.77 114.39 1.73 o
0 5 1 95.50 93.16 1.74 o
1 5 1 116.45 112.65 2.21 o
2 5 1 20.23 23.46 1.41 o
-2 6 1 217.73 213.60 4.04 o
-1 6 1 48.19 46.86 1.90 o
0 6 1 189.03 178.20 2.56 o
1 6 1 48.20 47.79 2.06 o
2 6 1 217.78 209.45 5.02 o
-2 7 1 3.34 4.58 3.97 o
-1 7 1 240.45 240.96 4.17 o
0 7 1 107.31 110.11 2.52 o
1 7 1 240.79 236.33 4.72 o
2 7 1 3.33 3.39 3.18 o
-2 8 1 122.90 120.61 5.80 o
-1 8 1 10.82 11.48 3.74 o
0 8 1 61.84 61.49 3.79 o
1 8 1 10.80 15.18 3.61 o
2 8 1 122.86 130.84 5.92 o
-2 9 1 0.23 3.61 5.19 o
-1 9 1 4.96 6.18 4.91 o
0 9 1 8.22 6.05 3.66 o
1 9 1 4.98 12.39 6.13 o
2 9 1 0.22 1.63 6.35 o
1 0 2 190.75 185.86 4.15 o
0 1 2 88.58 83.55 0.60 o
-1 2 2 622.33 611.51 6.90 o
0 2 2 446.71 459.00 5.23 o
1 2 2 622.44 624.81 8.69 o
-2 3 2 32.10 35.86 3.85 o
-1 3 2 64.90 68.84 1.55 o
0 3 2 4.37 5.97 0.60 o
1 3 2 64.52 67.48 1.67 o
2 3 2 32.12 35.79 4.17 o
-2 4 2 260.49 268.94 8.15 o
-1 4 2 165.42 167.15 2.96 o
0 4 2 121.95 116.27 1.35 o
1 4 2 165.53 166.45 3.62 o
2 4 2 260.28 264.20 13.07 o
-2 5 2 12.83 11.90 1.80 o
-1 5 2 1.27 1.08 0.80 o
0 5 2 287.75 294.32 5.06 o
1 5 2 1.28 0.67 1.24 o
2 5 2 12.88 12.93 1.75 o
-2 6 2 96.78 93.49 3.65 o
-1 6 2 75.87 73.24 2.50 o
0 6 2 1.16 2.18 1.55 o
1 6 2 75.97 73.78 2.47 o
2 6 2 96.81 89.80 4.15 o
-2 7 2 0.37 2.96 3.25 o
-1 7 2 75.70 68.66 3.20 o
0 7 2 36.80 34.53 2.49 o
1 7 2 75.82 75.66 3.15 o
2 7 2 0.37 1.50 3.37 o
-2 8 2 76.42 78.64 5.46 o
-1 8 2 4.75 3.77 3.79 o
0 8 2 10.81 11.88 2.43 o
1 8 2 4.72 5.53 3.27 o
2 8 2 76.43 75.54 5.35 o
-2 9 2 5.61 10.90 5.23 o
-1 9 2 27.68 26.54 4.56 o
0 9 2 4.07 6.39 3.92 o
1 9 2 27.68 36.31 7.39 o
2 9 2 5.57 10.81 6.62 o
1 0 3 506.41 509.38 13.30 o
-1 1 3 119.20 111.21 2.85 o
0 1 3 81.10 89.01 0.79 o
1 1 3 119.15 118.81 1.84 o
-1 2 3 358.93 361.92 4.08 o
0 2 3 210.08 214.83 1.71 o
1 2 3 359.07 356.04 11.42 o
2 2 3 30.83 30.96 3.47 o
-2 3 3 43.21 50.10 4.36 o
-1 3 3 107.79 109.61 4.19 o
0 3 3 295.24 287.82 7.25 o
1 3 3 107.80 112.47 2.05 o
2 3 3 43.16 51.78 4.07 o
-2 4 3 80.41 78.01 5.76 o
-1 4 3 69.29 67.83 1.20 o
0 4 3 275.18 275.36 4.52 o
1 4 3 69.39 69.12 1.79 o
2 4 3 80.41 84.90 3.15 o
-2 5 3 17.64 15.19 3.86 o
-1 5 3 31.54 28.62 1.30 o
0 5 3 344.43 362.52 8.99 o
1 5 3 31.66 30.44 1.56 o
2 5 3 17.65 15.65 1.94 o
-2 6 3 11.41 9.66 3.17 o
-1 6 3 26.70 25.73 2.37 o
0 6 3 113.27 105.94 2.88 o
1 6 3 26.66 27.27 2.62 o
2 6 3 11.50 11.68 2.91 o
-2 7 3 0.83 4.17 2.95 o
-1 7 3 241.96 253.47 4.44 o
0 7 3 8.74 6.61 2.40 o
1 7 3 241.96 244.74 5.81 o
2 7 3 0.83 2.78 3.39 o
-3 8 3 0.46 1.93 8.88 o
-2 8 3 28.17 35.95 4.37 o
-1 8 3 0.27 1.95 3.51 o
0 8 3 60.28 56.05 3.04 o
1 8 3 0.27 1.88 3.20 o
2 8 3 28.37 28.78 4.88 o
3 8 3 0.45 0.84 7.84 o
-1 9 3 22.76 22.95 4.77 o
0 9 3 9.60 9.36 4.04 o
1 9 3 22.78 25.73 4.82 o
2 9 3 28.97 40.20 6.99 o
0 0 4 1132.74 1113.91 15.45 o
1 0 4 53.57 50.41 1.36 o
2 0 4 279.23 297.75 8.16 o
-2 1 4 402.65 436.40 20.56 o
-1 1 4 255.26 250.37 5.30 o
0 1 4 23.05 23.62 1.18 o
1 1 4 255.12 240.59 6.75 o
2 1 4 402.58 437.57 9.41 o
-2 2 4 1.30 2.51 1.56 o
-1 2 4 209.84 213.58 3.03 o
0 2 4 142.33 138.43 1.89 o
1 2 4 210.11 219.58 2.99 o
2 2 4 1.31 2.37 2.51 o
-2 3 4 302.85 289.73 12.28 o
-1 3 4 69.48 63.28 2.55 o
0 3 4 400.42 404.18 2.74 o
1 3 4 69.57 66.04 2.10 o
2 3 4 302.84 284.01 30.80 o
-2 4 4 69.49 68.34 5.83 o
-1 4 4 72.44 68.71 2.13 o
0 4 4 2.66 3.23 1.16 o
1 4 4 72.43 75.50 2.24 o
2 4 4 69.51 67.63 3.30 o
-2 5 4 142.76 127.77 9.13 o
-1 5 4 24.15 23.31 1.50 o
0 5 4 3.61 3.91 1.31 o
1 5 4 24.11 25.01 1.98 o
2 5 4 142.84 145.12 8.00 o
-2 6 4 10.58 10.89 5.10 o
-1 6 4 142.58 139.36 3.36 o
0 6 4 32.49 34.54 2.33 o
1 6 4 142.61 137.02 4.66 o
2 6 4 10.57 10.72 2.83 o
3 6 4 77.78 63.67 8.52 o
-2 7 4 20.20 19.59 5.57 o
-1 7 4 46.18 40.35 3.41 o
0 7 4 2.08 3.81 2.43 o
1 7 4 46.10 41.76 3.16 o
2 7 4 20.23 19.05 3.69 o
-3 8 4 8.02 9.89 9.41 o
-2 8 4 0.11 0.94 9.36 o
-1 8 4 3.38 3.79 3.99 o
0 8 4 57.03 55.74 3.33 o
1 8 4 3.33 3.31 3.21 o
2 8 4 0.11 4.48 3.97 o
3 8 4 8.05 4.83 8.86 o
0 9 4 0.07 2.45 3.62 o
2 9 4 2.87 0.19 10.13 o
1 0 5 66.41 68.79 3.62 o
2 0 5 6.41 8.56 2.54 o
-2 1 5 35.53 37.78 2.78 o
-1 1 5 14.68 14.11 1.10 o
0 1 5 342.79 344.32 5.40 o
1 1 5 14.69 14.17 1.25 o
2 1 5 35.63 35.09 2.57 o
-2 2 5 41.67 39.24 1.73 o
-1 2 5 138.70 136.58 1.97 o
0 2 5 8.65 8.95 0.95 o
1 2 5 138.47 136.75 2.26 o
2 2 5 41.63 33.97 6.21 o
-2 3 5 149.27 153.86 3.23 o
-1 3 5 55.47 53.25 2.01 o
0 3 5 64.23 63.96 1.36 o
1 3 5 55.58 55.80 3.01 o
2 3 5 149.27 148.65 4.98 o
-2 4 5 3.83 7.68 2.79 o
-1 4 5 111.50 113.18 4.10 o
0 4 5 0.83 1.94 1.48 o
1 4 5 111.50 117.85 2.82 o
2 4 5 3.87 2.56 2.85 o
-3 5 5 15.50 5.08 6.36 o
-2 5 5 137.05 126.92 9.45 o
-1 5 5 16.72 14.37 2.20 o
0 5 5 9.51 7.54 1.77 o
1 5 5 16.71 14.73 2.16 o
2 5 5 137.00 143.82 9.08 o
3 5 5 15.41 3.91 7.61 o
-3 6 5 17.74 13.22 9.12 o
-2 6 5 110.58 102.94 9.71 o
-1 6 5 16.96 17.15 2.79 o
0 6 5 20.41 25.22 2.80 o
1 6 5 17.00 16.61 3.30 o
2 6 5 110.65 117.17 6.85 o
-2 7 5 0.97 1.74 5.51 o
-1 7 5 8.82 10.79 3.46 o
0 7 5 7.66 7.05 3.18 o
1 7 5 8.86 9.51 3.69 o
2 7 5 0.97 2.10 4.41 o
-1 8 5 5.97 9.97 4.38 o
0 8 5 12.21 12.69 3.37 o
1 8 5 5.97 5.04 3.86 o
-1 9 5 34.89 34.52 9.56 o
0 9 5 70.95 71.83 6.45 o
1 9 5 34.97 40.27 6.07 o
0 0 6 96.26 99.89 2.68 o
1 0 6 13.04 13.22 1.66 o
2 0 6 48.80 50.63 3.00 o
-2 1 6 0.80 2.62 2.43 o
-1 1 6 25.36 28.43 1.38 o
0 1 6 62.55 66.32 1.51 o
1 1 6 25.35 25.90 1.58 o
2 1 6 0.79 1.08 2.60 o
-2 2 6 114.58 115.06 3.49 o
-1 2 6 275.13 277.84 5.52 o
0 2 6 21.02 19.18 1.17 o
1 2 6 274.99 268.17 6.86 o
2 2 6 114.58 108.80 6.07 o
-2 3 6 18.14 20.05 2.64 o
-1 3 6 3.17 4.25 1.97 o
0 3 6 96.09 95.57 2.60 o
1 3 6 3.16 3.36 2.02 o
2 3 6 18.15 15.06 3.52 o
-2 4 6 42.06 39.52 3.41 o
-1 4 6 83.93 82.23 2.54 o
0 4 6 25.60 28.00 1.82 o
1 4 6 84.05 79.35 5.84 o
2 4 6 41.96 39.64 4.33 o
3 4 6 5.22 3.25 4.81 o
-3 5 6 4.72 4.56 8.02 o
-2 5 6 88.28 91.21 3.65 o
-1 5 6 65.76 68.27 3.05 o
0 5 6 144.75 138.73 6.48 o
1 5 6 65.75 58.66 5.65 o
3 5 6 4.69 7.51 5.29 o
-2 6 6 25.58 21.67 9.47 o
-1 6 6 41.64 43.34 3.82 o
0 6 6 22.00 21.21 3.09 o
1 6 6 41.65 41.86 3.55 o
2 6 6 25.43 34.30 5.49 o
3 6 6 46.82 53.89 9.67 o
-2 7 6 11.51 10.00 9.29 o
-1 7 6 21.94 18.13 4.27 o
0 7 6 41.66 43.38 3.68 o
1 7 6 21.95 18.94 3.72 o
2 7 6 11.52 11.12 6.02 o
3 7 6 4.37 3.59 9.45 o
-1 8 6 12.20 8.95 6.55 o
0 8 6 14.67 19.62 3.68 o
1 8 6 12.29 16.81 4.32 o
2 8 6 5.63 9.01 9.10 o
2 0 7 84.36 86.41 3.11 o
-2 1 7 113.14 113.70 3.09 o
-1 1 7 31.36 29.57 2.18 o
0 1 7 19.69 20.34 1.88 o
1 1 7 31.44 29.30 2.26 o
2 1 7 113.05 111.75 5.22 o
-2 2 7 108.41 109.88 4.22 o
-1 2 7 25.14 23.76 2.55 o
0 2 7 1.95 2.16 1.77 o
1 2 7 25.24 26.07 2.52 o
2 2 7 108.61 103.78 4.22 o
-2 3 7 38.95 38.75 3.84 o
-1 3 7 21.21 21.01 3.08 o
0 3 7 61.78 64.23 2.69 o
1 3 7 21.18 22.54 3.05 o
2 3 7 38.91 33.14 4.10 o
3 3 7 0.19 1.29 5.21 o
-2 4 7 16.19 17.08 4.21 o
-1 4 7 79.91 79.28 3.16 o
0 4 7 20.74 22.21 2.32 o
1 4 7 79.88 80.27 3.81 o
2 4 7 16.18 13.42 5.42 o
3 4 7 60.95 74.58 6.72 o
-2 5 7 1.08 3.68 3.90 o
-1 5 7 4.25 4.99 2.93 o
0 5 7 57.14 59.82 3.40 o
1 5 7 4.27 3.74 3.16 o
2 5 7 1.08 3.15 4.62 o
3 5 7 24.27 27.12 5.98 o
-3 6 7 29.33 27.36 10.27 o
-2 6 7 3.84 1.97 9.06 o
-1 6 7 11.92 10.28 4.07 o
0 6 7 1.02 1.34 3.53 o
1 6 7 11.90 13.01 3.76 o
2 6 7 3.83 5.24 8.62 o
3 6 7 29.32 37.06 10.21 o
-1 7 7 0.19 1.93 4.43 o
0 7 7 7.99 9.02 4.05 o
1 7 7 0.19 3.39 4.23 o
0 8 7 2.34 0.98 9.76 o
0 0 8 18.37 16.45 2.89 o
1 0 8 45.01 40.58 2.44 o
2 0 8 33.24 29.43 3.50 o
-2 1 8 15.76 17.21 4.06 o
-1 1 8 22.65 25.78 2.79 o
0 1 8 30.45 26.10 2.41 o
1 1 8 22.64 23.25 2.37 o
2 1 8 15.77 14.97 3.62 o
-2 2 8 11.32 10.49 3.47 o
-1 2 8 96.54 93.82 4.59 o
0 2 8 0.09 1.88 2.67 o
1 2 8 96.58 87.45 7.91 o
2 2 8 11.36 10.36 3.60 o
3 2 8 5.08 9.11 5.67 o
-2 3 8 36.53 40.13 4.25 o
-1 3 8 81.67 85.87 3.30 o
0 3 8 6.17 7.96 2.47 o
1 3 8 81.75 81.41 3.90 o
2 3 8 36.54 37.10 4.16 o
3 3 8 18.24 21.48 6.14 o
-3 4 8 1.19 2.60 8.84 o
-2 4 8 19.29 17.46 4.13 o
-1 4 8 30.64 35.13 3.56 o
0 4 8 4.49 5.70 2.65 o
1 4 8 30.59 34.94 5.11 o
2 4 8 19.25 20.37 4.97 o
-2 5 8 8.78 11.19 4.90 o
-1 5 8 19.98 27.19 4.05 o
0 5 8 68.21 65.67 4.28 o
1 5 8 19.87 25.46 4.43 o
2 5 8 8.82 8.60 5.19 o
3 5 8 15.99 25.21 6.68 o
-2 6 8 17.55 14.49 10.51 o
-1 6 8 51.27 54.87 6.02 o
0 6 8 21.04 17.95 4.39 o
1 6 8 51.25 49.09 5.97 o
1 0 9 0.23 0.73 3.65 o
2 0 9 0.95 1.69 5.80 o
-2 1 9 18.64 18.37 4.63 o
-1 1 9 34.74 27.00 7.65 o
0 1 9 8.83 10.99 3.15 o
1 1 9 34.81 32.15 3.56 o
2 1 9 18.72 18.49 4.02 o
-2 2 9 3.28 3.16 4.67 o
-1 2 9 3.92 2.97 3.54 o
0 2 9 143.83 144.57 5.77 o
1 2 9 3.92 2.80 3.45 o
2 2 9 3.25 4.44 4.09 o
-2 3 9 13.47 13.06 4.44 o
-1 3 9 2.35 1.73 3.26 o
0 3 9 0.10 1.52 2.86 o
1 3 9 2.35 2.35 3.58 o
2 3 9 13.51 12.57 4.61 o
3 3 9 4.00 11.40 6.65 o
-3 4 9 9.49 4.53 9.49 o
-2 4 9 13.96 15.91 4.60 o
-1 4 9 11.58 15.18 3.72 o
0 4 9 35.41 40.49 3.36 o
1 4 9 11.60 16.20 3.99 o
2 4 9 13.98 17.14 5.52 o
3 4 9 9.50 4.56 9.78 o
-2 5 9 30.73 34.98 7.62 o
-1 5 9 4.27 2.38 6.51 o
0 5 9 7.84 7.42 4.42 o
1 5 9 4.28 7.52 6.29 o
2 5 9 30.73 30.70 10.57 o
0 0 10 55.08 60.68 7.50 o
-2 1 10 25.83 23.47 7.25 o
-1 1 10 22.01 18.66 5.48 o
0 1 10 45.65 48.67 4.50 o
1 1 10 22.02 15.74 5.33 o
2 1 10 25.85 29.38 7.07 o
-2 2 10 15.25 10.66 6.16 o
-1 2 10 0.88 2.17 5.28 o
0 2 10 0.01 1.48 3.68 o
1 2 10 0.89 1.95 4.36 o
2 2 10 15.25 9.17 5.16 o
-2 3 10 13.89 20.44 7.09 o
-1 3 10 17.49 20.01 5.48 o
0 3 10 22.86 22.31 3.77 o
1 3 10 17.39 22.76 4.77 o
2 3 10 13.87 14.10 5.59 o
-1 4 10 4.14 3.94 9.76 o
0 4 10 3.23 6.77 6.64 o
1 4 10 4.13 0.95 9.25 o