/usr/share/gdis/models/adp1.cif is in gdis-data 0.90-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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_audit_creation_date 102-01-29
_audit_creation_method 'generated by RETRIEVE 2.0'
_database_code_ICSD 28154
_chemical_name_systematic 'Ammonium dihydrogen phosphate'
_chemical_name_mineral 'Biphosammite'
_chemical_compound_source 'synthetic'
_chemical_formula_structural 'N H4 H2 P O4'
_chemical_formula_sum 'H6 N O4 P'
_publ_section_title
;
Refinement of the Crystal Structures of Ammonium Dihydrogen Phosphate
and Ammonium Dihydrogen Arsenate
;
loop_
_publ_author_name
'Khan, A A'
'Baur, W H'
_journal_name_full 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM ACBCAR
_journal_volume 29
_journal_year 1973
_journal_page_first 2721
_journal_page_last 2726
_cell_length_a 7.4997(4)
_cell_length_b 7.4997(4)
_cell_length_c 7.5494(12)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 424.6
_cell_formula_units_Z 4
_exptl_crystal_density_meas 1.8
_symmetry_space_group_name_H-M 'I -4 2 d S'
_symmetry_Int_Tables_number 122
_symmetry_cell_setting tetragonal
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,-y,z'
'-y,x,-z'
'y,-x,-z'
'1/2-x,y,1/4-z'
'1/2+x,-y,1/4-z'
'1/2+y,x,1/4+z'
'1/2-y,-x,1/4+z'
'1/2+x,1/2+y,1/2+z'
'1/2-x,1/2-y,1/2+z'
'1/2-y,1/2+x,1/2-z'
'1/2+y,1/2-x,1/2-z'
'-x,1/2+y,3/4-z'
'x,1/2-y,3/4-z'
'y,1/2+x,3/4+z'
'-y,1/2-x,3/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
P5+ 5.000
N3- -3.000
O2- -2.000
H1+ 1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
P1 P5+ 4 a 0. 0. 0. 1. 0 d
N1 N3- 4 b 0. 0. 0.5 1. 0 d
O1 O2- 16 e 0.0843(1) 0.1466(1) 0.1151(1) 1. 0 d
H1 H1+ 16 e -0.002(5) 0.089(3) 0.563(2) 1. 0 d
H2 H1+ 8 d 0.25 0.150(6) 0.125 1. 0 d
_refine_ls_R_factor_all 0.021
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