#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/00/1540080.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_1540080
loop_
_publ_author_name
'Herdtweck, E.'
'Massa, W.'
_publ_section_title
;
 Die Struktur der Fluoridhydrate Co Al F5 (H2 O)7 und Mn Fe F5 (H2 O)7
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              191
_journal_page_last               199
_journal_volume                  579
_journal_year                    1989
_chemical_formula_sum            'Al Co F5 H10 O7'
_chemical_name_systematic        '((H2 O)6 Co) ((H2 O) F5 Al)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.917
_cell_length_b                   13.863
_cell_length_c                   6.525
_cell_volume                     971.595
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Herdtweck_ZAACAB_1989_1271.cif
_cod_data_source_block           Al1Co1F5H10O7
_cod_original_cell_volume        971.5953
_cod_original_formula_sum        'Al1 Co1 F5 H10 O7'
_cod_database_code               1540080
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
Al1 Al+3 0.25 0.25 0 1 0.0
Co1 Co+2 0 0 0.5 1 0.0
O3 O-2 0.1429 0 0.3174 1 0.0
F3 F-1 0.1196 0.1744 0.0683 0.5 0.0
H3 H+1 0.085 0.445 0.923 1 0.0
O1 O-2 -0.133 0 0.2241 1 0.0
H4 H+1 0.143 0.626 0.318 1 0.0
H1 H+1 -0.16 0.055 0.175 1 0.0
H5 H+1 0.135 0.648 0.496 1 0.0
F2 F-1 0.3244 0.1419 -0.064 1 0.0
Co2 Co+2 0 0.5 0.5 1 0.0
H2 H+1 0.047 -0.172 0.503 1 0.0
F1 F-1 0.1691 0.2568 -0.2649 1 0.0
O6 O-2 0.1196 0.1744 0.0683 0.5 0.0
O5 O-2 0.1298 0.6049 0.4495 1 0.0
O4 O-2 0.0759 0.5 0.8154 1 0.0
O2 O-2 0 -0.1476 0.5 1 0.0
