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NaNH2.cif
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NaNH2.cif
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# generated using pymatgen
data_NaH2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34421466
_cell_length_b 9.00508907
_cell_length_c 10.46958114
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaH2N
_chemical_formula_sum 'Na16 H32 N16'
_cell_volume 786.68847545
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na Na0 1 0.75000000 0.25000000 0.10553174 1.0
Na Na1 1 0.25000000 0.25000000 0.89446826 1.0
Na Na2 1 0.00000000 0.50000000 0.85553174 1.0
Na Na3 1 0.00000000 0.50000000 0.14446826 1.0
Na Na4 1 0.75000000 0.75000000 0.60553174 1.0
Na Na5 1 0.25000000 0.75000000 0.39446826 1.0
Na Na6 1 0.00000000 0.00000000 0.35553174 1.0
Na Na7 1 0.00000000 0.00000000 0.64446826 1.0
Na Na8 1 0.25000000 0.25000000 0.60553174 1.0
Na Na9 1 0.75000000 0.25000000 0.39446826 1.0
Na Na10 1 0.50000000 0.50000000 0.35553174 1.0
Na Na11 1 0.50000000 0.50000000 0.64446826 1.0
Na Na12 1 0.25000000 0.75000000 0.10553174 1.0
Na Na13 1 0.75000000 0.75000000 0.89446826 1.0
Na Na14 1 0.50000000 0.00000000 0.85553174 1.0
Na Na15 1 0.50000000 0.00000000 0.14446826 1.0
H H16 1 0.55988972 0.28765837 0.81911642 1.0
H H17 1 0.44011028 0.28765837 0.18088358 1.0
H H18 1 0.94011028 0.21234163 0.81911642 1.0
H H19 1 0.05988972 0.21234163 0.18088358 1.0
H H20 1 0.30988972 0.46234163 0.06911642 1.0
H H21 1 0.69011028 0.46234163 0.93088358 1.0
H H22 1 0.80988972 0.03765837 0.93088358 1.0
H H23 1 0.19011028 0.03765837 0.06911642 1.0
H H24 1 0.55988972 0.78765837 0.31911642 1.0
H H25 1 0.44011028 0.78765837 0.68088358 1.0
H H26 1 0.94011028 0.71234163 0.31911642 1.0
H H27 1 0.05988972 0.71234163 0.68088358 1.0
H H28 1 0.30988972 0.96234163 0.56911642 1.0
H H29 1 0.69011028 0.96234163 0.43088358 1.0
H H30 1 0.80988972 0.53765837 0.43088358 1.0
H H31 1 0.19011028 0.53765837 0.56911642 1.0
H H32 1 0.05988972 0.28765837 0.31911642 1.0
H H33 1 0.94011028 0.28765837 0.68088358 1.0
H H34 1 0.44011028 0.21234163 0.31911642 1.0
H H35 1 0.55988972 0.21234163 0.68088358 1.0
H H36 1 0.80988972 0.46234163 0.56911642 1.0
H H37 1 0.19011028 0.46234163 0.43088358 1.0
H H38 1 0.30988972 0.03765837 0.43088358 1.0
H H39 1 0.69011028 0.03765837 0.56911642 1.0
H H40 1 0.05988972 0.78765837 0.81911642 1.0
H H41 1 0.94011028 0.78765837 0.18088358 1.0
H H42 1 0.44011028 0.71234163 0.81911642 1.0
H H43 1 0.55988972 0.71234163 0.18088358 1.0
H H44 1 0.80988972 0.96234163 0.06911642 1.0
H H45 1 0.19011028 0.96234163 0.93088358 1.0
H H46 1 0.30988972 0.53765837 0.93088358 1.0
H H47 1 0.69011028 0.53765837 0.06911642 1.0
N N48 1 0.48173037 0.25000000 0.75000000 1.0
N N49 1 0.01826963 0.25000000 0.75000000 1.0
N N50 1 0.23173037 0.50000000 0.00000000 1.0
N N51 1 0.76826963 0.50000000 0.00000000 1.0
N N52 1 0.48173037 0.75000000 0.25000000 1.0
N N53 1 0.01826963 0.75000000 0.25000000 1.0
N N54 1 0.23173037 0.00000000 0.50000000 1.0
N N55 1 0.76826963 0.00000000 0.50000000 1.0
N N56 1 0.98173037 0.25000000 0.25000000 1.0
N N57 1 0.51826963 0.25000000 0.25000000 1.0
N N58 1 0.73173037 0.50000000 0.50000000 1.0
N N59 1 0.26826963 0.50000000 0.50000000 1.0
N N60 1 0.98173037 0.75000000 0.75000000 1.0
N N61 1 0.51826963 0.75000000 0.75000000 1.0
N N62 1 0.73173037 0.00000000 0.00000000 1.0
N N63 1 0.26826963 0.00000000 0.00000000 1.0