#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/21/1542176.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_1542176
loop_
_publ_author_name
'Bredig, M.A.'
_publ_section_title
;
 Isomorphism and allotropy in compounds of the type A2 X O4
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              747
_journal_page_last               764
_journal_volume                  46
_journal_year                    1942
_chemical_formula_sum            'Ca Na O4 P'
_chemical_name_systematic        'Ca Na (P O4)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.23
_cell_length_b                   5.23
_cell_length_c                   7.04
_cell_volume                     166.766
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Bredig_JPCHAX_1942_147.cif
_cod_data_source_block           Ca1Na1O4P1
_cod_original_cell_volume        166.7657
_cod_original_formula_sum        'Ca1 Na1 O4 P1'
_cod_database_code               1542176
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,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
Na3 Na+1 0.6667 0.3333 0.875 0.5 0.0
Na1 Na+1 0 0 0 0.5 0.0
Na2 Na+1 0 0 0.5 0.5 0.0
O1 O-2 0.6667 0.3333 0.46 1 0.0
P1 P+5 0.6667 0.3333 0.27 1 0.0
Ca3 Ca+2 0.6667 0.3333 0.875 0.5 0.0
Ca2 Ca+2 0 0 0.5 0.5 0.0
Ca1 Ca+2 0 0 0 0.5 0.0
O2 O-2 0.2 -0.2 0.2 1 0.0
