#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/40/1004020.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_1004020
loop_
_publ_author_name
'Durand, B'
'Loiseleur, H'
_publ_section_title
;
Crystal data for an ilmenite variety of calcium stannate Ca Sn O₃
;
_journal_coden_ASTM              JACGAR
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              289
_journal_page_last               290
_journal_volume                  11
_journal_year                    1978
_chemical_formula_structural     'Ca Sn O3'
_chemical_formula_sum            'Ca O3 Sn'
_chemical_name_systematic        'Calcium trioxostannate'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                54.42(3)
_cell_angle_beta                 54.42(3)
_cell_angle_gamma                54.42(3)
_cell_formula_units_Z            2
_cell_length_a                   6.000(2)
_cell_length_b                   6.000(2)
_cell_length_c                   6.000(2)
_cell_volume                     132.9
_exptl_crystal_density_meas      5.16
_refine_ls_R_factor_all          0.092
_cod_original_sg_symbol_H-M      'R -3 R'
_cod_database_code               1004020
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_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
Sn1 Sn4+ 2 c 0.1553(7) 0.1553(7) 0.1553(7) 1. 0 d
Ca1 Ca2+ 2 c 0.367(2) 0.367(2) 0.367(2) 1. 0 d
O1 O2- 6 f 0.553(4) -0.040(4) 0.200(4) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sn4+ 4.000
Ca2+ 2.000
O2- -2.000
