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#$Date: 2025-08-18 18:14:33 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/00/1530047.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_1530047
loop_
_publ_author_name
'Hadenfeldt, C.'
'Herdejuergen, H.'
_publ_section_title
;
 Darstellung, Kristallstruktur und thermisches Verhalten der
 Calciumphosphidchloride Ca2-x P1-x Cl1+x (0< x< 0.18) und Ca3 P Cl3
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              93
_journal_page_last               103
_journal_volume                  124
_journal_year                    1986
_chemical_formula_sum            'Ca3 Cl3 P'
_chemical_name_systematic        'Ca3 P Cl3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.683
_cell_length_b                   5.683
_cell_length_c                   5.683
_cell_volume                     183.541
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Hadenfeldt_JCOMAH_1986_1321.cif
_cod_data_source_block           Ca3Cl3P1
_cod_original_formula_sum        'Ca3 Cl3 P1'
_cod_database_code               1530047
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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-3 0 0 0 1 0.0
Ca1 Ca+2 0.5 0 0 1 0.0
Cl1 Cl-1 0 0.5 0.5 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139046498
