#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/65/1526581.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_1526581
loop_
_publ_author_name
'Keimes, V.'
'Hellmann, A.'
'Huhnt, C.'
'Mewis, A.'
'Schuette, N.'
_publ_section_title
;
 Sr Ni10 P6, Eu Ni10 P6 und Ba Co10 As6: Phasenumwandlungen und
 Kristallstrukturen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1653
_journal_page_last               1659
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'As6 Ba Co10'
_chemical_name_systematic        'Ba Co10 As6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.405
_cell_length_b                   6.858
_cell_length_c                   8.955
_cell_volume                     1007.487
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Keimes_ZAACAB_2000_755.cif
_cod_data_source_block           As6Ba1Co10
_cod_original_formula_sum        'As6 Ba1 Co10'
_cod_database_code               1526581
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
As3 As 0.8452 0.25 0.8288 1 0.0
As4 As 0.1567 0.25 0.398 1 0.0
Co6 Co 0.07 0.0026 0.2831 1 0.0
As5 As 0.1496 0.0101 0.7872 1 0.0
As1 As 0.0434 0.25 0.0909 1 0.0
Co1 Co 0.204 0.25 0.6466 1 0.0
Co2 Co 0.7981 0.25 0.0823 1 0.0
As2 As 0.954 0.25 0.5279 1 0.0
Co3 Co 0.0384 0.25 0.8194 1 0.0
Co4 Co 0.9361 0.25 0.2598 1 0.0
Ba1 Ba 0.2497 0.25 0.0389 1 0.0
Co7 Co 0.0729 0.9381 0.0008 1 0.0
Co5 Co 0.0697 0.0594 0.569 1 0.0
