#------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/72/1007253.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_1007253
loop_
_publ_author_name
'Tordjman, I'
'Martin, C'
'Durif, A'
_publ_section_title
;
Structure cristalline du tetrametaphosphate de strontium-potassium: Sr
K2 (P O3)4
;
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              293
_journal_page_last               298
_journal_volume                  90
_journal_year                    1967
_chemical_formula_structural     'K2 Sr (P O3)4'
_chemical_formula_sum            'K2 O12 P4 Sr'
_chemical_name_systematic        'Dipotassium strontium catena-phosphate(V)'
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.445(5)
_cell_length_b                   7.445
_cell_length_c                   10.17(2)
_cell_volume                     563.7
_refine_ls_R_factor_all          0.07
_cod_database_code               1007253
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
y,-x,-z
-y,x,-z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
K1 K1+ 4 e 0. 0. 0.328 1. 0 d
Sr1 Sr2+ 2 c 0. 0.5 0.25 1. 0 d
P1 P5+ 8 g 0.154 0.217 -0.03 1. 0 d
O1 O2- 8 g 0.186 0.06 0.066 1. 0 d
O2 O2- 8 g 0.193 0.385 0.048 1. 0 d
O3 O2- 8 g 0.24 0.189 -0.16 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Sr2+ 2.000
P5+ 5.000
O2- -2.000
_cod_duplicate_entry 1007061
