data_2019750
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.1389
_cell_length_b                   4.1389
_cell_length_c                   7.1055
_exptl_crystal_F_000             43.99
_reflns_d_resolution_high        0.7755
_[local]_cod_data_source_file    fn3184Isup2.hkl
_[local]_cod_data_source_block   I
_shelx_title                     ' li2b2c in P-4                     P-4m2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            15.41
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'y, -x, -z'
'-x, -y, z'
'-y, x, -z'
'-x, y, z'
'y, x, -z'
'x, -y, z'
'-y, -x, -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 1 0 50.22 54.51 1.38 o
1 1 0 70.99 70.21 1.60 o
0 2 0 153.33 147.53 3.21 o
1 2 0 18.56 17.99 0.43 o
2 2 0 7.34 7.50 0.26 o
0 3 0 14.42 15.49 0.46 o
1 3 0 11.66 12.19 0.27 o
2 3 0 6.52 6.83 0.18 o
3 3 0 4.45 4.07 0.20 o
0 4 0 158.87 152.44 3.36 o
1 4 0 6.83 7.04 0.18 o
2 4 0 38.55 36.04 0.70 o
3 4 0 7.36 7.63 0.19 o
0 5 0 3.24 3.24 0.15 o
1 5 0 9.92 12.46 0.26 o
0 0 1 237.32 254.24 6.82 o
1 0 1 90.20 94.03 3.29 o
2 0 1 8.97 9.94 0.32 o
3 0 1 18.03 19.01 0.55 o
4 0 1 18.85 18.91 0.57 o
5 0 1 7.82 7.65 0.29 o
0 1 1 90.15 87.32 2.04 o
1 1 1 40.31 38.21 0.73 o
2 1 1 16.99 16.69 0.36 o
3 1 1 12.40 12.11 0.28 o
4 1 1 10.37 10.20 0.25 o
5 1 1 8.17 8.15 0.21 o
0 2 1 8.98 9.95 0.33 o
1 2 1 16.96 16.71 0.36 o
2 2 1 59.66 57.91 1.02 o
3 2 1 5.86 5.63 0.16 o
4 2 1 3.16 3.14 0.11 o
0 3 1 17.99 19.03 0.55 o
1 3 1 12.40 12.13 0.29 o
2 3 1 5.88 5.64 0.16 o
3 3 1 4.49 4.24 0.13 o
4 3 1 10.10 10.04 0.25 o
0 4 1 18.85 18.94 0.57 o
1 4 1 10.39 10.21 0.25 o
2 4 1 3.16 3.15 0.11 o
3 4 1 10.12 10.05 0.25 o
0 5 1 7.81 7.66 0.29 o
1 5 1 8.17 8.16 0.21 o
0 0 2 11.26 13.98 0.61 o
1 0 2 40.91 42.76 1.13 o
2 0 2 41.05 38.14 1.03 o
3 0 2 12.50 13.40 0.42 o
4 0 2 3.65 3.94 0.17 o
5 0 2 6.64 6.14 0.25 o
0 1 2 40.90 42.82 1.13 o
1 1 2 138.65 132.72 2.07 o
2 1 2 12.64 13.84 0.31 o
3 1 2 63.43 61.62 1.06 o
4 1 2 7.94 7.32 0.21 o
5 1 2 18.36 19.08 0.39 o
0 2 2 41.03 38.19 1.04 o
1 2 2 12.63 13.86 0.31 o
2 2 2 72.88 70.83 1.19 o
3 2 2 6.60 6.08 0.18 o
4 2 2 14.09 15.12 0.32 o
0 3 2 12.49 13.42 0.42 o
1 3 2 63.43 61.69 1.06 o
2 3 2 6.61 6.09 0.18 o
3 3 2 42.49 44.55 0.77 o
4 3 2 6.91 6.60 0.19 o
0 4 2 3.65 3.95 0.17 o
1 4 2 7.95 7.33 0.21 o
2 4 2 14.10 15.14 0.32 o
3 4 2 6.91 6.61 0.19 o
0 5 2 6.64 6.15 0.25 o
1 5 2 18.36 19.10 0.39 o
0 0 3 11.49 11.94 0.52 o
1 0 3 8.05 8.62 0.30 o
2 0 3 85.28 86.52 1.94 o
3 0 3 4.88 4.10 0.21 o
4 0 3 2.13 2.12 0.12 o
5 0 3 2.25 2.11 0.13 o
0 1 3 8.06 8.63 0.31 o
1 1 3 2.84 2.11 0.09 o
2 1 3 21.59 22.18 0.44 o
3 1 3 1.76 1.80 0.07 o
4 1 3 2.99 3.41 0.11 o
0 2 3 85.29 86.62 1.94 o
1 2 3 21.60 22.21 0.44 o
2 2 3 92.60 90.94 1.47 o
3 2 3 15.98 16.68 0.35 o
4 2 3 31.96 32.82 0.60 o
0 3 3 4.90 4.11 0.22 o
1 3 3 1.76 1.80 0.07 o
2 3 3 15.97 16.71 0.35 o
3 3 3 1.82 0.00 0.20 o
4 3 3 2.30 2.18 0.09 o
0 4 3 2.13 2.13 0.12 o
1 4 3 2.98 3.41 0.11 o
2 4 3 31.96 32.86 0.61 o
3 4 3 2.29 2.18 0.09 o
0 5 3 2.25 2.11 0.13 o
0 0 4 113.63 114.94 3.51 o
1 0 4 8.75 8.49 0.34 o
2 0 4 82.60 82.29 1.89 o
3 0 4 3.92 3.84 0.18 o
4 0 4 35.74 35.23 0.93 o
0 1 4 8.75 8.50 0.34 o
1 1 4 3.56 3.49 0.12 o
2 1 4 13.25 13.55 0.32 o
3 1 4 1.66 1.71 0.07 o
4 1 4 3.48 3.45 0.12 o
0 2 4 82.59 82.39 1.90 o
1 2 4 13.26 13.56 0.32 o
2 2 4 15.10 15.11 0.33 o
3 2 4 13.11 13.21 0.31 o
4 2 4 35.52 35.33 0.66 o
0 3 4 3.93 3.84 0.18 o
1 3 4 1.66 1.72 0.07 o
2 3 4 13.10 13.22 0.31 o
3 3 4 0.91 -0.01 0.28 o
0 4 4 35.74 35.27 0.93 o
1 4 4 3.48 3.45 0.12 o
2 4 4 35.52 35.37 0.66 o
0 0 5 9.90 9.29 0.47 o
1 0 5 21.28 21.76 0.70 o
2 0 5 42.17 42.21 1.08 o
3 0 5 10.94 11.03 0.41 o
4 0 5 3.95 4.05 0.18 o
0 1 5 21.28 21.79 0.70 o
1 1 5 59.21 58.58 1.00 o
2 1 5 2.88 2.82 0.12 o
3 1 5 34.40 34.07 0.64 o
4 1 5 11.29 11.29 0.28 o
0 2 5 42.20 42.26 1.08 o
1 2 5 2.88 2.82 0.12 o
2 2 5 5.46 5.67 0.16 o
3 2 5 3.54 3.52 0.13 o
4 2 5 22.90 23.07 0.47 o
0 3 5 10.94 11.04 0.41 o
1 3 5 34.40 34.11 0.64 o
2 3 5 3.54 3.53 0.13 o
3 3 5 22.20 22.00 0.45 o
0 4 5 3.95 4.05 0.18 o
1 4 5 11.29 11.31 0.28 o
2 4 5 22.88 23.09 0.47 o
0 0 6 1.19 1.37 0.12 o
1 0 6 15.32 15.16 0.53 o
2 0 6 27.36 27.27 0.75 o
3 0 6 10.05 9.75 0.36 o
4 0 6 1.23 -0.02 0.26 o
0 1 6 15.33 15.17 0.53 o
1 1 6 12.88 12.88 0.30 o
2 1 6 2.97 3.03 0.11 o
3 1 6 7.19 7.25 0.20 o
0 2 6 27.34 27.30 0.76 o
1 2 6 2.98 3.04 0.11 o
2 2 6 4.22 4.22 0.13 o
3 2 6 2.55 2.69 0.10 o
0 3 6 10.06 9.76 0.36 o
1 3 6 7.19 7.26 0.20 o
2 3 6 2.54 2.69 0.10 o
0 4 6 1.23 -0.02 0.26 o
0 0 7 95.86 96.60 3.09 o
1 0 7 4.43 4.63 0.24 o
2 0 7 50.92 50.77 1.25 o
3 0 7 3.43 3.50 0.17 o
0 1 7 4.43 4.63 0.24 o
1 1 7 8.11 8.39 0.24 o
2 1 7 8.88 8.87 0.27 o
3 1 7 4.89 5.32 0.17 o
0 2 7 50.91 50.83 1.26 o
1 2 7 8.87 8.88 0.27 o
2 2 7 6.40 6.34 0.18 o
0 3 7 3.43 3.50 0.17 o
1 3 7 4.88 5.33 0.17 o
0 0 8 8.88 9.24 0.47 o
1 0 8 3.39 3.41 0.17 o
2 0 8 7.81 7.64 0.29 o
0 1 8 3.38 3.42 0.17 o
1 1 8 4.89 4.83 0.17 o
2 1 8 9.98 9.97 0.25 o
0 2 8 7.80 7.65 0.29 o
1 2 8 9.96 9.98 0.25 o
0 0 9 4.64 4.37 0.28 o
1 0 9 4.63 4.43 0.21 o
0 1 9 4.63 4.43 0.21 o