data_0-TOPOS_GLYCIN32_hex;8/3/h4;sqc4
_database_code_CSD                  GLYCIN32
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        hex;8/3/h4;sqc4
_chemical_name_systematic
;
Glycine. 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            Z.KRISTALLOGR.
_citation_year                      2003
_citation_journal_volume            218
_citation_page_first                366
_citation_special_details
;
Experiment details: beta polymorphmoisture-sensitive, forms the alpha
 polymorph if air humidity increasesat 250 K a=5.0883,17 b=6.248,3 c=
5.3847,19 beta=113.23,3 at 200 K a=5.0837,18b=6.224,4 c=5.385,2 beta=
113.29,3 at 150 K a=5.0795,19 b=6.200,4 c=5.386,2beta=113.35,2. File:
 search24.cif. 
CENTAT: none
SIMPLIG: Sc=C2H5NO2| 
;
loop_
_publ_author_name
'Boldyreva E.V.'
'Drebushchak T.N.'
'Shutova E.S.'
_cell_length_a                      5.0764
_cell_length_b                      6.182
_cell_length_c                      5.3871
_cell_angle_alpha                   90
_cell_angle_beta                    113.4
_cell_angle_gamma                   90
_cell_volume                        155.1552
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 21'
_symmetry_Int_Tables_number         4
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc 2 0.18464 0.36278 0.47629 1.0000
loop_
_topol_link.node_label_1
_topol_link.node_label_2
_topol_link.distance
_topol_link.site_symmetry_symop_1
_topol_link.site_symmetry_translation_1_x
_topol_link.site_symmetry_translation_1_y
_topol_link.site_symmetry_translation_1_z
_topol_link.site_symmetry_symop_2
_topol_link.site_symmetry_translation_2_x
_topol_link.site_symmetry_translation_2_y
_topol_link.site_symmetry_translation_2_z
_topol_link.type
_topol_link.multiplicity
Sc1 Sc1 5.0764 1 0 0 0 1 -1 0 0 v 2
Sc1 Sc1 4.3842 1 0 0 0 2 1 0 1 v 2
Sc1 Sc1 5.3871 1 0 0 0 1 0 0 1 v 2
Sc1 Sc1 3.6762 1 0 0 0 2 0 0 1 v 2
#End of data_0-TOPOS_GLYCIN32_hex;8/3/h4;sqc4