#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2013239.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_2013239
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2003
_journal_volume  59
_journal_page_first  i29
_journal_page_last  i31
_publ_section_title
;
(NH~4~)~2~ZrGe~3~O~9~: a new microporous zirconogermanate
;
loop_
_publ_author_name
  'Zhicheng Liu'
  'Linhong Weng'
  'Zhenxia Chen'
  'Dongyuan Zhao'
_chemical_name_common  FDZG-2
_chemical_formula_moiety  'Ge3 N2 O9 Zr'
_chemical_formula_sum  'Ge3 N2 O9 Zr'
_chemical_formula_iupac  '(N H4)2 Zr Ge3 O9'
_chemical_formula_weight  481.01
_symmetry_cell_setting  hexagonal
_symmetry_space_group_name_H-M  'P 63/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-y, x-y, z'
  '-x+y, -x, z'
  '-x, -y, z+1/2'
  'y, -x+y, z+1/2'
  'x-y, x, z+1/2'
  '-x, -y, -z'
  'y, -x+y, -z'
  'x-y, x, -z'
  'x, y, -z-1/2'
  '-y, x-y, -z-1/2'
  '-x+y, -x, -z-1/2'
_cell_length_a  7.117(5)
_cell_length_b  7.117(5)
_cell_length_c  10.542(9)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  120.00
_cell_volume  462.4(6)
_cell_formula_units_Z  2
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  3.455
_diffrn_ambient_temperature  298(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Zr 1.0000 1.0000 0.0000 0.0112(6) Uani d S 1 . . Zr
  Ge 0.8761(2) 0.6230(2) 0.2500 0.0135(5) Uani d S 1 . . Ge
  O1 0.9877(12) 0.7564(12) 0.1128(6) 0.0236(17) Uani d . 1 . . O
  O2 0.9235(16) 0.4027(16) 0.2500 0.025(3) Uani d S 1 . . O
  N 0.3333 0.6667 0.0559(14) 0.025(4) Uani d S 1 . . N
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
  Zr 0.0120(8) 0.0120(8) 0.0096(12) 0.0060(4) 0.000 0.000
  Ge 0.0118(8) 0.0101(8) 0.0182(9) 0.0052(7) 0.000 0.000
  O1 0.029(5) 0.027(4) 0.024(4) 0.020(4) 0.004(3) 0.014(3)
  O2 0.014(5) 0.013(5) 0.053(7) 0.011(5) 0.000 0.000
  N 0.025(5) 0.025(5) 0.026(9) 0.012(3) 0.000 0.000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Zr O1 8_565 2.068(7) no
  Zr O1 2_765 2.068(7) no
  Zr O1 9_655 2.068(7) no
  Zr O1 . 2.068(7) yes
  Zr O1 7_775 2.068(7) no
  Zr O1 3_675 2.068(7) no
  Ge O1 10_556 1.694(7) no
  Ge O1 . 1.694(7) yes
  Ge O2 2_655 1.738(10) yes
  Ge O2 . 1.761(9) yes
  O2 Ge 3_665 1.738(10) no