#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/73/1537304.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_1537304
loop_
_publ_author_name
'Finney, J.J.'
'Rao, N.N.'
_publ_section_title
;
 The Crystal Structure of Cheralite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              13
_journal_page_last               19
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'Ca0.3 Ce0.15 La0.12 O4 P Th0.4'
_chemical_name_systematic        'Ca.3 Ce.15 La.12 Th.4 P O4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.83
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.717
_cell_length_b                   6.92
_cell_length_c                   6.434
_cell_volume                     290.393
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Finney_AMMIAY_1967_386.cif
_cod_data_source_block           Ca0.3Ce0.15La0.12O4P1Th0.4
_cod_original_cell_volume        290.3928
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ca0.3 Ce0.15 La0.12 O4 P1 Th0.4'
_cod_database_code               1537304
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
P1 P+5 0.196 0.163 0.8858 1 0.0
Ca1 Ca+2 0.2198 0.1596 0.3991 0.3 0.0
O3 O-2 0.374 0.2221 0.7898 1 0.0
O2 O-2 0.0238 0.1044 0.6906 1 0.0
O4 O-2 0.1114 0.3337 -0.0011 1 0.0
Ce1 Ce+3 0.2198 0.1596 0.3991 0.15 0.0
O1 O-2 0.2473 0.5064 0.4426 1 0.0
La1 La+3 0.2198 0.1596 0.3991 0.12 0.0
Th1 Th+4 0.2198 0.1596 0.3991 0.4 0.0
