#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/46/1534613.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_1534613
loop_
_publ_author_name
'Arakcheeva, A.V.'
'Karpinskii, O.G.'
_publ_section_title
;
 Crystal structure of hexagonal Ca-ferrite, Ca2 Fe22 O33
;
_journal_name_full               Kristallografiya
_journal_page_first              1105
_journal_page_last               1109
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Ca2 Fe22 O33'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.028
_cell_length_b                   6.028
_cell_length_c                   62.224
_cell_volume                     1958.101
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Arakcheeva_KRISAJ_1990_1030.cif
_cod_data_source_block           Ca2Fe22O33
_cod_database_code               1534613
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
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
Fe4 Fe+2 0.6667 0.3333 0.0377 1 0.0
Fe1 Fe+2 0.6667 0.3333 0.1272 1 0.0
Fe3 Fe+2 0 0 0.117 1 0.0
O7 O-2 0.3333 0.6667 0 1 0.0
O3 O-2 0.1667 0.3333 0.0699 1 0.0
O5 O-2 0 0.6667 0.0317 1 0.0
Ca1 Ca+2 0 0 0.0478 1 0.0
O8 O-2 0 0 0.1478 1 0.0
O6 O-2 0 0 0 1 0.0
O4 O-2 0.6667 0.3333 0.0699 1 0.0
Fe7 Fe+2 0.3333 0.6667 0.1374 1 0.0
Fe2 Fe+2 0.5 0.5 0.0878 1 0.0
Fe8 Fe+2 0.3333 0.1667 0.1667 1 0.0
Fe6 Fe+2 0 0.6667 0 1 0.0
O2 O-2 0.3333 0.6667 0.1075 1 0.0
O1 O-2 0.3333 0.1667 0.1075 1 0.0
Fe5 Fe+2 0.3333 0.6667 0.0455 1 0.0
O9 O-2 0.5 0.5 0.1478 1 0.0
