#------------------------------------------------------------------------------
#$Date: 2019-10-04 09:04:30 +0300 (Fri, 04 Oct 2019) $
#$Revision: 219091 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/23/1552371.cif $
#------------------------------------------------------------------------------
#
# 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_1552371
_publ_author_name                'Zdenek Mencik'
_publ_section_title
;
 Crystal structure of isotactic polypropylene
;
_journal_name_full
'Journal of Macromolecular Science, Part B: Physics'
_journal_page_first              101
_journal_page_last               115
_journal_volume                  6
_journal_year                    1972
_chemical_formula_sum            'C9 H18'
_chemical_name_systematic        'Isotactic polypropylene'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.63
_cell_length_b                   20.78
_cell_length_c                   6.504
_cell_volume                     883.776
_cod_data_source_file            iPP_mencik.cif
_cod_data_source_block           Mencik1972
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1552371
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
0 'x, y, z'
1 '-x, y+0.5, -z+0.5'
2 '-x, -y, -z'
3 'x, -y+0.5, z+0.5'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
C1 C 0.262 0.485 0.201 1.0 0.0
C2 C 0.214 0.415 0.265 1.0 0.0
C3 C 0.214 0.415 0.502 1.0 0.0
C4 C 0.950 0.328 0.482 1.0 0.0
C5 C 0.165 0.349 0.590 1.0 0.0
C6 C 0.165 0.349 0.827 1.0 0.0
C7 C 0.538 0.321 0.914 1.0 0.0
C8 C 0.371 0.369 0.958 1.0 0.0
C9 C 0.371 0.369 0.195 1.0 0.0
