#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/48/9014843.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9014843
loop_
_publ_author_name
'Grenier, J.'
'Durif, A.'
'Martin, C.'
_publ_section_title
;
 Structure cristalline de Ca K3 H (P O4)2
 _cod_database_code 1007057
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              30
_journal_page_last               32
_journal_volume                  92
_journal_year                    1969
_chemical_formula_sum            'Ca K3 O8 P2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.10
_cell_angle_gamma                90
_cell_length_a                   9.880
_cell_length_b                   5.733
_cell_length_c                   7.432
_cell_formula_units_Z            2
_cell_volume                     419.886
_database_code_amcsd             0012129
_exptl_crystal_density_diffrn    2.747
_cod_duplicate_entry             1007057
_cod_original_formula_sum        'K3 Ca P2 O8'
_cod_database_code               9014843
_amcsd_formula_title             'Ca H K3 O8 P2'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 0.00000 0.00000 0.00000
K2 0.33400 0.00000 0.31200
Ca1 0.00000 0.00000 0.50000
P1 0.33300 0.00000 0.73900
O1 0.36700 0.00000 0.94100
O2 0.17700 0.00000 0.72100
O3 0.41700 0.21300 0.68300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012129
