#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/40/1004022.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_1004022
_chemical_name_systematic          'Calcium tin(IV) oxide'
_chemical_formula_structural       'Ca Sn O3'
_chemical_formula_sum              'Ca O3 Sn'
_publ_section_title
;
Preparation et characterisation de la variete ilmenite des stannates de
manganese Mn Sn O~3~ et de calcium Ca Sn O~3~
;
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_[local]_cod_cif_authors_sg_H-M  'R -3 R'
loop_
_publ_author_name
  'Durand, B'
  'Diot, M'
  'Mollard, P'
_journal_name_full                 'Annales de Chimie (Paris) (Vol=Year)'
_journal_coden_ASTM                ANCPAC
_journal_volume                    1979
_journal_year                      1979
_journal_page_first                559
_journal_page_last                 607
_cell_length_a                     6.000(2)
_cell_length_b                     6.000(2)
_cell_length_c                     6.000(2)
_cell_angle_alpha                  54.42(3)
_cell_angle_beta                   54.42(3)
_cell_angle_gamma                  54.42(3)
_cell_volume                       132.9
_cell_formula_units_Z              2
_exptl_crystal_density_meas        5.16
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ca2+   2.000
  Sn4+   4.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Ca1   Ca2+   2 c 0.367(2) 0.367(2) 0.367(2) 1.  0 d
  Sn1   Sn4+   2 c 0.1553(7) 0.1553(7) 0.1553(7) 1.  0 d
  O1    O2-    6 f 0.553(4) -0.040(4) 0.200(4) 1.  0 d
_refine_ls_R_factor_all            0.046
_cod_database_code 1004022