#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/74/9007446.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007446
loop_
_publ_author_name
'Boyko, E. R.'
'Wisnyi, L. G.'
_publ_section_title
;
 The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              444
_journal_page_last               445
_journal_paper_doi               10.1107/S0365110X58001183
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'Al4 Ca O7'
_chemical_name_mineral           Grossite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.05
_cell_angle_gamma                90
_cell_length_a                   12.89
_cell_length_b                   8.88
_cell_length_c                   5.45
_cell_volume                     596.407
_exptl_crystal_density_diffrn    2.896
_cod_original_formula_sum        'Ca Al4 O7'
_cod_database_code               9007446
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1 0.00000 0.81000 0.25000
Al1 0.16900 0.08600 0.29500
Al2 0.12200 0.44100 0.25700
O1 0.00000 0.52600 0.25000
O2 0.11700 0.04800 0.54400
O3 0.12700 0.26000 0.17500
O4 0.18800 0.44700 0.59800