#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/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
_chemical_name_systematic          'Strontium dizinc bis(phosphate)'
_chemical_formula_structural       'Sr Zn2 (P O4)2'
_chemical_formula_sum              'O8 P2 Sr Zn2'
_publ_section_title
;
The crystal structure of $-alpha-SrZn~2~(PO~4~)~2~: a hurlbutite type
;
loop_
_publ_author_name
  'Hemon, A'
  'Courbion, G'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    85
_journal_year                      1990
_journal_page_first                164
_journal_page_last                 168
_cell_length_a                     8.3232(4)
_cell_length_b                     9.5101(4)
_cell_length_c                     9.0317(4)
_cell_angle_alpha                  90
_cell_angle_beta                   92.293(3)
_cell_angle_gamma                  90
_cell_volume                       714.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
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_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Zn2+   2.000
  P5+    5.000
  O2-   -2.000
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_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Sr1   0.0104(1) -0.0007(1) 0.0010(1) 0.0087(1) 0.0002(1) 0.0109(1)
  Zn1   0.0115(1) -0.0016(1) 0.0008(1) 0.0103(1) -0.0001(1) 0.0100(1)
  Zn2   0.0100(1) 0.0006(1) 0.0010(1) 0.0085(1) 0.0005(1) 0.0100(1)
  P1    0.0084(2) -0.0005(1) 0.0012(1) 0.0071(2) -0.0004(1) 0.0080(2)
  P2    0.0082(2) -0.0006(1) 0.0012(1) 0.0084(2) -0.0010(1) 0.0068(2)
  O1    0.0158(7) .0000(5) 0.0016(5) 0.0100(5) 0.0023(4) 0.0110(6)
  O2    0.0145(6) 0.0019(5) 0.0055(5) 0.0125(6) 0.0008(4) 0.0109(6)
  O3    0.0099(6) -0.0003(5) -0.0007(5) 0.0233(8) 0.0009(5) 0.0110(6)
  O4    0.0145(6) 0.0027(5) 0.0044(5) 0.0097(5) 0.0034(5) 0.0154(6)
  O5    0.0150(6) 0.0029(5) 0.0003(5) 0.0125(6) -0.0014(5) 0.0101(6)
  O6    0.0146(7) 0.0014(5) -0.0024(5) 0.0111(6) -0.0035(5) 0.0147(6)
  O7    0.0091(6) 0.0025(5) 0.0001(5) 0.0180(7) 0.0072(6) 0.0218(8)
  O8    0.0164(7) 0.0023(5) 0.0071(5) 0.0091(5) 0.0031(5) 0.0141(6)
_refine_ls_R_factor_all            0.026
_cod_database_code 1000286
_journal_paper_doi 10.1016/S0022-4596(05)80072-6