data_2008133
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  156
_journal_page_last  157
_publ_section_title
;
NH~4~VO(NH~3~)PO~4~
;
loop_
_publ_author_name
  'Fratzky, Dietmar'
  'Worzala, Horst'
  'Goetze, Thomas'
  'Meisel, Manfred'
_chemical_name_common  ' ammonium oxovanadium(IV) phosphate ammonia'
_chemical_formula_moiety  'H3NO5PV, H4N'
_chemical_formula_sum  'H7 N2 O5 P V'
_chemical_formula_iupac  'N H4 V O (N H3) P O4'
_chemical_formula_weight  196.99
_symmetry_cell_setting  'monoclinic'
_symmetry_space_group_name_H-M  'P 21'
_symmetry_space_group_name_Hall  'P 2y1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
_cell_length_a  6.7770(10)
_cell_length_b  4.9150(10)
_cell_length_c  8.455(2)
_cell_angle_alpha  90.00
_cell_angle_beta  91.11(3)
_cell_angle_gamma  90.00
_cell_volume  281.57(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.323
_diffrn_ambient_temperature  293(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
  V1 0.35943(9) 0.65672(11) 0.65971(7) 0.01149(14) Uani d . 1 . . V
  P1 0.63284(13) 1.20466(16) 0.72266(10) 0.00997(19) Uani d . 1 . . P
  O1 0.5806(4) 0.9019(6) 0.7219(3) 0.0143(5) Uani d . 1 . . O
  O2 0.4731(4) 0.3768(5) 0.8053(3) 0.0151(6) Uani d . 1 . . O
  O3 0.3734(4) 0.8256(6) 0.4486(3) 0.0172(6) Uani d . 1 . . O
  O4 0.1826(4) 0.7966(6) 0.7526(4) 0.0222(6) Uani d . 1 . . O
  O5 0.8336(4) 1.2412(6) 0.8009(3) 0.0174(6) Uani d . 1 . . O
  N1 0.1674(6) 0.3495(8) 0.5622(5) 0.0174(7) Uani d . 1 . . N
  N2 0.1776(5) 0.2194(7) 1.0118(4) 0.0173(7) Uani d . 1 . . N
  H1 0.109(11) 0.289(17) 0.627(9) 0.06(3) Uiso d . 1 . . H
  H2 0.235(8) 0.217(15) 0.520(6) 0.037(16) Uiso d . 1 . . H
  H3 0.099(7) 0.421(10) 0.500(6) 0.008(11) Uiso d . 1 . . H
  H4 0.169(11) 0.057(17) 1.052(8) 0.06(2) Uiso d . 1 . . H
  H5 0.079(8) 0.242(12) 0.951(6) 0.025(14) Uiso d . 1 . . H
  H6 0.170(9) 0.371(14) 1.079(7) 0.039(17) Uiso d . 1 . . H
  H7 0.284(9) 0.255(12) 0.956(7) 0.033(16) Uiso d . 1 . . H
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
  V1 0.0138(3) 0.0100(3) 0.0106(2) 0.0003(3) -0.00080(19) 0.0002(3)
  P1 0.0113(4) 0.0100(5) 0.0085(4) -0.0011(3) -0.0022(3) 0.0002(3)
  O1 0.0190(14) 0.0111(12) 0.0126(12) -0.0050(10) -0.0056(10) 0.0003(10)
  O2 0.0169(14) 0.0133(14) 0.0153(13) 0.0027(10) -0.0004(11) 0.0020(11)
  O3 0.0256(15) 0.0135(13) 0.0122(13) 0.0032(11) -0.0039(11) -0.0005(10)
  O4 0.0213(14) 0.0224(15) 0.0231(15) 0.0037(12) 0.0039(12) -0.0025(11)
  O5 0.0149(12) 0.0192(14) 0.0179(13) -0.0013(10) -0.0054(10) 0.0001(10)
  N1 0.0151(17) 0.0158(17) 0.0211(18) -0.0006(13) -0.0042(15) -0.0004(14)
  N2 0.0184(16) 0.0169(19) 0.0164(15) -0.0017(13) -0.0048(13) 0.0005(13)
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
  V1 O4 . 1.601(3) y
  V1 O3 . 1.972(3) y
  V1 O1 . 1.986(3) y
  V1 O2 . 1.991(3) y
  V1 N1 . 2.148(4) ?
  P1 O5 . 1.512(3) ?
  P1 O1 . 1.529(3) ?
  P1 O2 1_565 1.551(3) ?
  P1 O3 2_656 1.565(3) ?
  O2 P1 1_545 1.551(3) ?
  O3 P1 2_646 1.565(3) ?
  N1 H1 . 0.74(8) ?
  N1 H2 . 0.87(7) ?
  N1 H3 . 0.78(5) ?
  N2 H4 . 0.87(8) ?
  N2 H5 . 0.85(6) ?
  N2 H6 . 0.94(7) ?
  N2 H7 . 0.89(6) ?