#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/03/1530355.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_1530355
loop_
_publ_author_name
'Marsh, R.E.'
_publ_section_title
;
 On the structure of the series of oxides M(II) U Mo4 O16
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              577
_journal_page_last               578
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'Ca Mo4 O16 U'
_chemical_name_systematic        'Ca U Mo4 O16'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.44
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.447
_cell_length_b                   6.651
_cell_length_c                   8.236
_cell_volume                     627.021
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Marsh_JSSCBI_1988_1616.cif
_cod_data_source_block           Ca1Mo4O16U1
_cod_original_cell_volume        627.0211
_cod_original_sg_symbol_Hall     '-P 2yc (x-z,y,z)'
_cod_original_formula_sum        'Ca1 Mo4 O16 U1'
_cod_database_code               1530355
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,-y,z-1/2
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
O6 O-2 0.097 0.156 0.005 1 0.0
O4 O-2 0.128 0.418 0.758 1 0.0
O8 O-2 0.125 0.419 0.263 1 0.0
Ca1 Ca+2 0.25 0.7039 0.25 1 0.0
O7 O-2 0.25 0.072 0.25 1 0.0
O5 O-2 0.746 0.297 0.035 1 0.0
O1 O-2 0.933 0.151 0.246 1 0.0
Mo1 Mo+6 0.5962 -0.1702 0.7956 1 0.0
Mo2 Mo+6 0.0928 0.1687 0.7958 1 0.0
U1 U+6 0.25 0.7041 0.75 1 0.0
O2 O-2 0.9372 0.147 0.749 1 0.0
O3 O-2 0.096 0.151 0.504 1 0.0
O9 O-2 0.25 0.063 0.75 1 0.0
