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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/20/1542087.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_1542087
loop_
_publ_author_name
'Rumanova, I.M.'
'Nikoleva, T.V.'
_publ_section_title
;
 Crystal structure of orthite
;
_journal_name_full               Kristallografiya
_journal_page_first              829
_journal_page_last               835
_journal_volume                  4
_journal_year                    1959
_chemical_formula_sum            'Al2 Ca Ce Fe H O13 Si3'
_chemical_name_systematic        'Al2 Ca Fe Ce (Si2 O7) (Si O4) O (O H)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.98
_cell_length_b                   5.75
_cell_length_c                   10.23
_cell_volume                     478.735
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Rumanova_KRISAJ_1959_1700.cif
_cod_data_source_block           H1Al2Ca1Ce1Fe1O13Si3
_cod_original_cell_volume        478.7354
_cod_original_formula_sum        'H1 Al2 Ca1 Ce1 Fe1 O13 Si3'
_cod_database_code               1542087
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
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
O8 O-2 0.542 0.25 0.323 1 0.0
O6 O-2 0.071 0.75 0.413 1 0.0
Si1 Si+4 0.338 0.75 0.043 1 0.0
O9 O-2 0.613 0.25 0.098 1 0.0
Ce1 Ce+3 0.601 0.75 0.426 1 0.0
O10 O-2 0.071 0.25 0.413 1 0.0
O5 O-2 0.052 0.75 0.143 1 0.0
O7 O-2 0.51 0.75 0.181 1 0.0
Ca1 Ca+2 0.76 0.75 0.153 1 0.0
Si2 Si+4 0.695 0.25 0.279 1 0.0
Fe1 Fe+2 0.3 0.25 0.217 1 0.0
O3 O-2 0.801 0 0.342 1 0.0
Al1 Al+3 0 0 0 1 0.0
Al2 Al+3 0 0 0.5 1 0.0
Si3 Si+4 0.182 0.75 0.321 1 0.0
O1 O-2 0.23 0 0.032 1 0.0
O2 O-2 0.307 0 0.363 1 0.0
O4 O-2 0.052 0.25 0.143 1 0.0
