#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/51/2005114.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_2005114
_publ_section_title
;
LiMoP₂O₇
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              1593
_journal_page_last               1594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Li Mo O7 P2'
_chemical_formula_weight         277
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.33(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.8984(4)
_cell_length_b                   8.3919(8)
_cell_length_c                   7.034(1)
_cell_measurement_temperature    294
_cell_volume                     272.83(7)
_exptl_crystal_density_diffrn    3.36
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'Li Mo P2 O7'
_cod_database_code               2005114
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Mo .21270(8) .5 .22578(6) .339(6)
P(1) .4030(3) .1806(2) .0289(2) .42(2)
P(2) .7937(3) .2851(2) .4194(2) .47(2)
Li .797(2) .364(1) .821(2) 1.8(2)
O(1) .0539(9) .3200(6) .3608(7) .96(8)
O(2) .3985(8) .6822(5) .0963(6) .80(8)
O(3) .1328(8) .7007(5) .3807(6) .72(8)
O(4) .6172(7) .4331(5) .4226(6) .96(8)
O(5) .2403(8) .3376(4) .0069(5) .56(8)
O(6) .5967(8) .1593(4) .2607(5) .80(8)
O(7) -.2025(7) .5375(4) .0077(5) .62(7)
