#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200087.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_2200087
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  i15
_journal_page_last  i16
_publ_section_title
;
Rubidium zinc phosphate, RbZn~2~(PO~4~)(HPO~4~)
;
loop_
_publ_author_name
  'Yule, Lisa J.'
  'Harrison, William T. A.'
_chemical_formula_moiety  'Rb Zn2 (P O4) (H P O4)'
_chemical_formula_sum  'H1 O8 P2 Rb1 Zn2'
_chemical_formula_iupac  'Rb Zn2 (P O4) (H P O4)'
_chemical_formula_weight  407.17
_chemical_melting_point  'decomposes before melting'
_symmetry_cell_setting  'Triclinic'
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
_cell_length_a  5.2605(4)
_cell_length_b  8.9046(6)
_cell_length_c  9.7244(7)
_cell_angle_alpha  75.6850(10)
_cell_angle_beta  77.487(2)
_cell_angle_gamma  73.4890(10)
_cell_volume  417.89(6)
_cell_formula_units_Z  2
_cell_measurement_temperature  298
_exptl_crystal_density_diffrn  3.236
_diffrn_ambient_temperature  298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
  Rb1  .28901(11)  .29634(7) 1.17661(6)  .0221 Uani 1.0000
  Zn1  .38913(11)  .38493(6)  .72838(6)  .0129 Uani 1.0000
  Zn2  .19652(11)  .11187(6)  .61011(6)  .0129 Uani 1.0000
  P1  .3293(2)  .75607(14)  .54989(13)  .0108 Uani 1.0000
  P2  .8943(2)  .24745(14)  .88825(13)  .0124 Uani 1.0000
  O1  .5941(8)  .3010(5)  .8851(4)  .0226 Uani 1.0000
  O2  .4221(8)  .5971(4)  .6508(4)  .0202 Uani 1.0000
  O3  .4697(7)  .2368(4)  .5960(4)  .0162 Uani 1.0000
  O4  .0240(8)  .3875(4)  .8266(5)  .0227 Uani 1.0000
  O5  .0478(8)  .7773(5)  .5228(4)  .0228 Uani 1.0000
  O6  .3558(8)  .8895(4)  .6156(4)  .0201 Uani 1.0000
  O7  .9306(9)  .1922(5) 1.0520(4)  .0204 Uani 1.0000
  O8 1.0324(9)  .1039(5)  .8154(4)  .0231 Uani 1.0000
  H1  .9362  .0836 1.0847  .006(13) Uiso 1.0000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Rb1  .0213(3)  .0249(3)  .0204(3)  -.00254(19)  -.00519(18)  -.00682(19)
  Zn1  .0143(3)  .0095(3)  .0145(3)  -.00293(19)  -.00087(19)  -.00288(19)
  Zn2  .0146(3)  .0099(3)  .0145(3)  -.00271(19)  -.0024(2)  -.00348(19)
  P1  .0105(5)  .0093(5)  .0122(5)  -.0012(4)  -.0020(4)  -.0024(4)
  P2  .0122(5)  .0116(5)  .0126(5)  -.0019(4)  -.0013(4)  -.0026(4)
  O1  .0118(16)  .032(2)  .0200(17)  -.0030(14)  -.0024(13)  -.0016(15)
  O2  .0265(19)  .0115(15)  .0232(18)  -.0053(14)  -.0108(15)  .0019(13)
  O3  .0172(15)  .0197(17)  .0146(15)  -.0063(13)  .0008(12)  -.0098(13)
  O4  .0169(17)  .0097(15)  .036(2)  -.0045(13)  .0066(15)  -.0027(15)
  O5  .0137(16)  .030(2)  .0217(18)  -.0059(14)  -.0051(14)  .0022(15)
  O6  .0281(19)  .0112(15)  .0204(17)  .0008(14)  -.0048(15)  -.0076(13)
  O7  .031(2)  .0135(16)  .0168(16)  -.0030(14)  -.0091(15)  -.0017(13)
  O8  .032(2)  .0181(17)  .0153(16)  -.0031(16)  .0044(15)  -.0072(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Rb1 O1 . . 2.936(4) yes
  Rb1 O2 . 2_667 2.956(4) yes
  Rb1 O4 . 2_567 2.825(4) yes
  Rb1 O5 . 2_567 3.096(4) yes
  Rb1 O6 . 2_667 2.922(4) yes
  Rb1 O7 . 1_455 2.902(4) yes
  Rb1 O7 . . 3.275(4) yes
  Zn1 O1 . . 1.933(4) yes
  Zn1 O2 . . 1.896(4) yes
  Zn1 O3 . . 1.965(3) yes
  Zn1 O4 . . 1.948(4) yes
  Zn2 O3 . . 2.017(4) yes
  Zn2 O5 . 2_566 1.914(4) yes
  Zn2 O6 . 1_545 1.911(4) yes
  Zn2 O8 . 1_455 1.989(4) yes
  P1 O2 . . 1.527(4) yes
  P1 O3 . 2_666 1.574(4) yes
  P1 O5 . . 1.511(4) yes
  P1 O6 . . 1.532(4) yes
  P2 O1 . . 1.519(4) yes
  P2 O4 . 1_655 1.522(4) yes
  P2 O7 . . 1.583(4) yes
  P2 O8 . . 1.536(4) yes
  O7 H1 . .  .935 no