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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/02/1000286.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_1000286
loop_
_publ_author_name
'Hemon, A'
'Courbion, G'
_publ_section_title
;
The crystal structure of $-alpha-SrZn₂(PO₄)₂: a hurlbutite type
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              164
_journal_page_last               168
_journal_paper_doi               10.1016/S0022-4596(05)80072-6
_journal_volume                  85
_journal_year                    1990
_chemical_formula_structural     'Sr Zn2 (P O4)2'
_chemical_formula_sum            'O8 P2 Sr Zn2'
_chemical_name_systematic        'Strontium dizinc bis(phosphate)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.293(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3232(4)
_cell_length_b                   9.5101(4)
_cell_length_c                   9.0317(4)
_cell_volume                     714.3
_refine_ls_R_factor_all          0.026
_cod_database_code               1000286
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,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
Sr1 Sr2+ 4 e 0.2456 0.0819 0.6074 1. 0 d
Zn1 Zn2+ 4 e 0.5739 0.5711 0.2887 1. 0 d
Zn2 Zn2+ 4 e 0.9195 0.3197 0.451 1. 0 d
P1 P5+ 4 e 0.5428(1) 0.2941(1) 0.4314(1) 1. 0 d
P2 P5+ 4 e 0.0576(1) 0.0847(1) 0.2507(1) 1. 0 d
O1 O2- 4 e 0.4746(2) 0.3866(2) 0.3024(2) 1. 0 d
O2 O2- 4 e 0.4178(2) 0.2059(2) 0.0528(2) 1. 0 d
O3 O2- 4 e 0.2276(2) 0.0621(2) 0.3200(2) 1. 0 d
O4 O2- 4 e 0.0174(2) 0.4490(2) 0.3135(2) 1. 0 d
O5 O2- 4 e 0.0637(2) 0.3033(2) 0.6287(2) 1. 0 d
O6 O2- 4 e 0.5658(2) 0.1413(2) 0.3796(2) 1. 0 d
O7 O2- 4 e 0.6999(2) 0.1407(2) 0.9909(2) 1. 0 d
O8 O2- 4 e 0.9510(2) 0.3729(2) 0.8793(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Zn2+ 2.000
P5+ 5.000
O2- -2.000
